# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T17:49:14+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C c c a :2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000073","8.7885","0.0001","8.7685","0.0001","12.958","0.002","90","","90","","90","","998.6","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F56 Li24 Th8 -","8","0.5","","Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G","Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction","Journal of Solid State Chemistry","1989","80","","206","212","10.1016/0022-4596(89)90081-9","","","","","","0.0393","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000074","8.759","0.0002","8.728","0.0002","12.8956","0.0003","90","","90","","90","","985.8","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F56 Li24 Th8 -","8","0.5","","Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G","Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction","Journal of Solid State Chemistry","1989","80","","206","212","10.1016/0022-4596(89)90081-9","","","","","","0.1152","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001000","11.827","0.009","16.538","0.014","12.622","0.012","90","0","90","0","90","0","2468.8","","","","","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","Calcium nitrate dihydrate - α","","- Ca H4 N2 O8 -","- Ca H8 N2 O8 -","- Ca16 H128 N32 O128 -","16","1","","Leclaire, A.; Mitschler, A.; Monier, J.-C.","Structure cristalline de l'hydrate Ca(NO~3~)~2~.2H~2~ O α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1976","32","4","1496","1499","10.1107/S0567740876005633","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1008176","14.258","0.003","22.686","0.004","13.503","0.003","90","","90","","90","","4367.6","","","","","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","Copper(I) 1,2dithiooxalicacidamide chloride hydrate","","- C3 H6.9 Cl Cu N3 O0.45 S3 -","- C3 H6.9 Cl Cu N3 O0.45 S3 -","- C48 H110.4 Cl16 Cu16 N48 O7.2 S48 -","16","1","","Mosset, A; Abboudi, M; Galy, J","Synthese, structure moleculaire et cristalline d'un rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)~1.5~ (H~2~ O)~0.45~","Zeitschrift fuer Kristallographie (149,1979-)","1983","164","","171","180","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1100628","18.5424","0.0011","27.4587","0.0013","9.6347","0.0005","90","","90","","90","","4905.51","","","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C36 H72 Co4 N4 P4 -","- C156 H324 Co16 N16 P16 -","- C624 H1296 Co64 N64 P64 -","4","0.25","","Riese, Ulrike; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Cobalt(II)-organische Phosphaniminato-Komplexe mit Heterocuban-Struktur. Kristallstrukturen von [CoBr(NPR~3~)]~4~ mit R = Me, Et, [Co(C≡C-CMe3)(NPMe3)]~4~ und [Co(C≡C-SiMe~3~)(NPEt~3~)]~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1279","1284","10.1002/(SICI)1521-3749(199808)624:8<1279::AID-ZAAC1279>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176946","2020-10-21","18:00:00",""
"1502976","12.4522","0.0009","12.4742","0.0009","19.6932","0.0015","90","","90","","90","","3059","0.4","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 O8 -","- C36 H24 O8 -","- C144 H96 O32 -","4","0.25","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0412","0.0352","","","0.0892","0.0947","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504002","27.77","0.016","35.78","0.02","8.445","0.005","90","","90","","90","","8391","8","293","2","293","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C77 H97 N5 Ni -","- C77 H92 N5 Ni -","- C308 H368 N20 Ni4 -","4","0.25","","Li, Ke-Lai; Guo, Can-Cheng; Chen, Qing-Yun","Unprecedented degradation of nickel(II) 2,3,12,13-tetrabromo-5,10,15,20-tetraarylporphyrins by the anion of E-benzaldoxime: a novel approach to nickel(II) chlorophins and bacteriophins.","Organic letters","2009","11","13","2724","2727","10.1021/ol901052w","","","0.71073","MoKα","","0.1248","0.0997","","","0.2582","0.2796","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1530401","23.031","","23.216","","5.806","","90","","90","","90","","3104.4","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- La32 Nb28 S88 -","- La32 Nb28 S88 -","- La32 Nb28 S88 -","1","0.0625","","Meerschaut, A.; Rabu, P.; Rouxel, J.","Preparation and characterization of new mixed sandwiched layered compounds Ln32 Nb28 S88 (Ln = La,Ce)","Journal of Solid State Chemistry","1989","78","","35","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536196","6.4417","","11.4452","","6.3886","","90","","90","","90","","471.009","","","","","","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","","","- Pd4 Sn16 -","- Pd4 Sn16 -","- Pd4 Sn16 -","1","0.0625","","Nylen, J.; Mosel, B.D.; Garcia-Garcia, F.J.; Poettgen, R.; Haeussermann, U.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536344","7.4488","","12.4714","","14.1411","","90","","90","","90","","1313.67","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","Sr5 Al2 F16","","- Al2 F16 Sr5 -","- Al2 F16 Sr5 -","- Al8 F64 Sr20 -","4","0.25","","Weil, M.","Preparation and crystal structure of the strontium aluminium fluoride Sr5 Al2 F16","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2669","2672","","","","","","","","","","","","","","","","","","","","","","has coordinates","164018","2020-10-21","18:00:00",""
"1536348","7.4622","","12.5647","","14.1041","","90","","90","","90","","1322.41","","","","","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","Sr5 Al2 F16 O0.65","","- Al2 F16 O0.65 Sr5 -","- Al2 F16 O0.647 Sr5 -","- Al8 F64 O2.588 Sr20 -","4","0.25","","Weil, M.","Synthesis and crystal structure of Sr5 Al2 F16","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2669","2672","","","","","","","","","","","","","","","","","","","","","","has coordinates","164022","2020-10-21","18:00:00",""
"1551036","11.1233","0.0012","10.5994","0.0011","11.2028","0.0012","90","","90","","90","","1320.8","0.2","298","","298","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","Ca-pyz","","","- C8 H16 B2 Ca N4 -","- C8 H16 B2 Ca N4 -","- C32 H64 B8 Ca4 N16 -","4","0.25","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","powder diffraction","","1","synchrotron","","","","","","","","","","2.6101","","","","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553981","29.8513","0.0007","27.0724","0.0007","28.996","0.0006","90","","90","","90","","23433","1","93","0.3","93","0.3","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0552","0.0418","","","0.0968","0.1033","","","","","","1.014","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553982","30.1004","0.0007","27.2979","0.0007","29.2079","0.0006","90","","90","","90","","23999.5","1","292.99","0.11","292.99","0.11","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.087","0.0536","","","0.1024","0.1154","","","","","","1.017","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553983","30.1847","0.0007","27.3736","0.0007","29.2444","0.0006","90","","90","","90","","24163.6","1","273","0.12","273","0.12","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0668","0.0427","","","0.085","0.0928","","","","","","1.019","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553984","29.9954","0.001","27.188","0.0009","29.1016","0.0007","90","","90","","90","","23732.8","1.3","183.01","0.1","183.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0554","0.0393","","","0.0879","0.0942","","","","","","1.024","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553985","30.1665","0.0011","27.3016","0.001","29.212","0.0008","90","","90","","90","","24058.8","1.4","243.01","0.1","243.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0601","0.0396","","","0.0837","0.0911","","","","","","0.975","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553987","27.105","0.006","29.82","0.007","28.748","0.006","90","","90","","90","","23236","9","173.15","","173.15","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.1037","0.0542","","","0.1279","0.1549","","","","","","1.038","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1556547","16.2855","0.0008","22.346","0.0011","19.6563","0.0009","90","","90","","90","","7153.2","0.6","100","2","100","2","","","","","","","synthetical product","4","C c c a :2","-C 2a 2ac","68","1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane","1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane","","- C30 H54 O9 Si6 -","- C30 H54 O9 Si6 -","- C240 H432 O72 Si48 -","8","0.5","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0533","0.0378","","","0.0994","0.1049","","","","","","1.052","","","","has coordinates","245046","2020-10-21","18:00:00",""
"1561881","17.642","0.005","21.495","0.005","7.95","0.005","90","0.005","90","0.005","90","0.005","3015","2","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H22 Cu4 I4 N6 O4 -","- C22 H22 Cu4 I4 N6 O4 -","- C88 H88 Cu16 I16 N24 O16 -","4","0.25","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71069","MoKα","","0.041","0.0313","","","0.0898","0.1125","","","","","","1.13","","","","has coordinates","264290","2021-04-19","07:01:10",""
"1565206","14.6512","0.0005","44.3536","0.0014","17.5398","0.0005","90","","90","","90","","11397.9","0.6","160","1","160","1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C47 H58 I4 N4 Ni O3 -","- C44 H46 I4 N4 Ni -","- C352 H368 I32 N32 Ni8 -","8","0.5","","Karges, Johannes; Blacque, Olivier; Gasser, Gilles","Metal dipyrrin complexes as potential photosensitizers for photodynamic therapy","Inorganica Chimica Acta","2020","505","","119482","","10.1016/j.ica.2020.119482","","x-ray","1.54184","CuKα","","0.1018","0.0666","","","0.1863","0.2089","","","","","","1.06","","","","has coordinates","270644","2021-11-15","08:26:31",""
"1568252","13.8231","0.0004","20.1276","0.0006","16.7673","0.0004","90","","90","","90","","4665.1","0.2","100","0.2","100","0.2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C25 H18 Cl2 N3 Zn -","- C25 H18 Cl2 N3 Zn -","- C200 H144 Cl16 N24 Zn8 -","8","0.5","","Ngue, Chin May; Ho, Kuan Fu; Sainbileg, Batjargal; Batsaikhan, Erdembayalag; Hayashi, Michitoshi; Lee, Kuei Yi; Chen, Ruei San; Leung, Man Kit","Conductivity and photoconductivity in a two-dimensional zinc bis(triarylamine) coordination polymer.","Chemical science","2023","14","5","1320","1328","10.1039/d2sc06085j","","","0.71073","MoKα","","0.0703","0.0556","","","0.1762","0.1913","","","","","","1.106","","","","has coordinates","281355","2023-03-04","17:51:35",""
"1569003","13.6165","0.0006","25.2859","0.001","13.6152","0.0005","90","","90","","90","","4687.8","0.3","173","","173","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C12 H26 Cl3 Cu2 N4 O6 P3 -","- C12 H26 Cl3 Cu2 N4 O6 P3 -","- C96 H208 Cl24 Cu16 N32 O48 P24 -","8","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0319","0.0271","","","0.062","0.0645","","","","","","1.032","","","","has coordinates","284227","2023-06-05","04:03:48",""
"1569670","23.4047","0.0007","56.3203","0.0016","46.1622","0.0018","90","","90","","90","","60849","3","120","","120","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","","- C120 H80 Ag11.27 Au4.73 Cl16 O2 P4 S8 -","- C120 H80 Ag11.292 Au4.708 Cl16 O2 P4 S8 -","- C1920 H1280 Ag180.672 Au75.328 Cl256 O32 P64 S128 -","16","1","","Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou","Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>.","Nanoscale","2023","15","33","13784","13789","10.1039/d3nr03288d","","x-ray","1.54186","CuKα","","0.1605","0.1193","","","0.3143","0.3458","","","","","","1.041","","","","has coordinates,has disorder","286155","2023-09-05","20:02:00",""
"1569844","11.1743","0.0008","23.349","0.002","9.9798","0.0006","90","","90","","90","","2603.8","0.3","143","2","143","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C20 H44 F6 P2 -","- C20 H44 F6 P2 -","- C80 H176 F24 P8 -","4","0.25","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0736","0.0423","","","0.0889","0.1018","","","","","","1.053","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1570594","15.4579","0.0002","15.5609","0.0003","15.5042","0.0003","90","","90","","90","","3729.36","0.11","300","1","300","1","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- Al22.53 Ru7 Si -","- Al22.532 Ru7 Si -","- Al180.256 Ru56 Si8 -","8","0.5","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0312","0.029","","","0.0827","0.084","","","","","","1.164","","","","has coordinates","288546","2023-12-25","02:20:37",""
"1573256","28.333","0.003","43.635","0.004","40.669","0.004","90","","90","","90","","50280","9","101","","101","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C760 H564 Cd16 N96 O16 -","- C760 H564 Cd16 N96 O16 -","- C1520 H1128 Cd32 N192 O32 -","2","0.125","","Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yuming; Zhang, Zhe; Wu, Tun; Wang, Pingshan","Dynamic selection in metallo-organic cube CdⅡ8L4 conformations induced by perfluorooctanoate encapsulation","Chemical Science","2024","","","","","10.1039/D4SC07105K","","","1.34139","GaKα","","0.1581","0.1346","","","0.3925","0.4217","","","","","","1.826","","","","has coordinates","296073","2024-11-22","23:10:06",""
"2000065","20.85","0.008","9.044","0.004","11.653","0.005","90","","90","","90","","2197.38","","","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C2 H10 K N2 O9 P3 -","- C4 H20 K N4 O17 P5 -","- C32 H160 K8 N32 O136 P40 -","8","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Structure of potassium ethylenediammonium cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1909","1911","10.1107/s0108270188008522","","","","","","","0.038","","","0.038","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000643","16.636","0.004","16.873","0.003","8.881","0.002","90","","90","","90","","2492.9","0.9","296","","296","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","cyclen","1,4,7,10-tetrazacyclododecane","","- C8 H26 N4 O3 -","- C8 H26 N4 O3 -","- C64 H208 N32 O24 -","8","0.5","ST1013","Reibenspies, J. H.","Structure of 1,4,7,10-tetraazacyclododecane trihydrate","Acta Crystallographica Section C","1992","48","9","1717","1718","10.1107/S0108270192006723","","","0.71073","MoKα","","0.0715","0.052","","0.0622","0.0586","","","","1.302","1.452","1.452","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003424","12.313","0.001","15.335","0.002","16.616","0.002","90","","90","","90","","3137.4","0.6","298","","298","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","Tetrapyridinodiiodocopper(II)zinc(II) pyridine","","- C30 H30 Cu0.92 I2 N6 Zn0.08 -","- C30 H30 Cu0.92 I2 N6 Zn0.08 -","- C120 H120 Cu3.68 I8 N24 Zn0.32 -","4","0.25","BR1084","Durand, P. B.; Holt, E. M.","Diiodotetra(pyridine-<i>N</i>)copper(II)zinc(II) Dipyridine","Acta Crystallographica Section C","1995","51","5","850","852","10.1107/S0108270194009285","","","0.71073","MoKα","","","0.0316","","","0.0394","","","","","0.98","0.98","","","","","has coordinates,has disorder","206082","2020-10-21","18:00:00",""
"2004902","14.644","0.006","15.644","0.004","23.085","0.004","90","","90","","90","","5289","3","296","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C24 H24 N2 Ni O2 S4 -","- C24 H24 N2 Ni O2 S4 -","- C192 H192 N16 Ni8 O16 S32 -","8","0.5","MU1212","Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y.","<i>trans</i>-Bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')bis(isoquinoline)nickel(II)","Acta Crystallographica Section C","1996","52","5","1157","1159","10.1107/S0108270195014727","","","0.71073","MoKα","","","0.056","","","0.068","","","","","1.69","1.69","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010787","14.9958","0.001","17.5356","0.0012","9.0327","0.0006","90","","90","","90","","2375.2","0.3","173","","","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Bis(trimethylsilyl)mercury","Bis(trimethylsilyl)mercury","","- C12 H36 Hg2 Si4 -","- C12 H36 Hg2 Si4 -","- C48 H144 Hg8 Si16 -","4","0.25","BK1496","Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees, Jr, William S.","Reinvestigation of bis(trimethylsilyl)mercury","Acta Crystallographica Section C","2000","56","4","412","413","10.1107/S0108270199016339","","","0.71073","MoKα","","","0.028","","","","0.074","","","","","","0.985","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2013222","16.2547","0.0007","29.4171","0.0013","18.1262","0.0008","90","","90","","90","","8667.3","0.7","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide","","- C24 H16 Cu I N4 -","- C24 H16 Cu I N4 -","- C384 H256 Cu16 I16 N64 -","16","1","TA1392","Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan","Two polymorphs of bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) iodide","Acta Crystallographica Section C","2003","59","1","m7","m9","10.1107/S0108270102020590","","","0.71073","MoKα","","0.078","0.035","","","0.088","0.107","","","","","","0.98","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014043","13.145","0.005","13.333","0.004","14.332","0.004","90","","90","","90","","2511.9","1.4","297.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C14 H36 Cl2 Cu N4 O10 -","- C14 H36 Cl2 Cu N4 O10 -","- C56 H144 Cl8 Cu4 N16 O40 -","4","0.25","OB1168","Akitsu, Takashiro; Einaga, Yasuaki","Bis(acetone-κ<i>O</i>)bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate","Acta Crystallographica Section C","2004","60","4","m162","m164","10.1107/S010827010400349X","","","0.7107","MoKα","","","0.0554","","","","0.1799","","","","","","1.081","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014761","6.239","0.0008","15.584","0.003","6.1726","0.0013","90","","90","","90","","600.15","0.19","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Barium bis(hypophosphite)","Barium bis(dihydrogenphosphate) ?","","- Ba H4 O4 P2 -","- Ba H4 O4 P2 -","- Ba4 H16 O16 P8 -","4","0.25","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71069","MoKα","","0.0532","0.0316","","","0.0748","0.0827","","","","","","0.887","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102521","20.939","0.002","25.243","0.004","16.048","0.001","90","","90","","90","","8482.4","1.7","0","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","bis(mu!4$-N,N-Diethylcarbamato-O,O',O'',O''')-tetrakis(mu!3$-N,N-diethylcarba- mato-O,O',O'')-hexakis(mu!2$-N,N-diethylcarbamato-O,O')-hexa-iron","","- C60 H120 Fe6 N12 O24 -","- C60 Fe6 N12 O24 -","- C240 Fe24 N48 O96 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105424","7.41","","22.26","","7.44","","90","","90","","90","","1227.2","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","Lu Rh4 B4","","- B4 Lu Rh4 -","- B4 Lu Rh4 -","- B48 Lu12 Rh48 -","12","0.75","","Yvon, K.; Johnston, D.C.","Orthorhombic Lu Rh4 B4 -A new polytype of R T4 B4 stoichiometry","Acta Crystallographica B (24,1968-38,1982)","1982","38","","247","250","10.1107/S0567740882002490","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106864","24.843","","7.216","","7.216","","90","","90","","90","","1293.59","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","Rb3 (Cu2 Cl7)","","- Cl7 Cu2 Rb3 -","- Cl7 Cu2 Rb3 -","- Cl28 Cu8 Rb12 -","4","0.25","","Crama, W.J.","Structure of Trirubidium Heptachlorodicuprate(II)","Acta Crystallographica B (24,1968-38,1982)","1981","37","","662","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","161065","2020-10-21","18:00:00",""
"2201468","10.289","0.002","15.723","0.003","11.59","0.002","90","","90","","90","","1875","0.6","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C6 H17 Cl N O0.5 -","- C6 H17 Cl N O0.5 -","- C48 H136 Cl8 N8 O4 -","8","0.5","CV6156","Guido J. Reiß; Brigitte Koppelhuber-Bitschnau","Diisopropylammonium chloride hemihydrate, a combined single-crystal and powder diffraction study","Acta Crystallographica Section E","2002","58","11","o1309","o1311","10.1107/S1600536802019347","","","0.71073","MoKα","","0.0595","0.0433","","","0.0954","0.0995","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207379","5.7434","0.0007","12.6002","0.0009","5.7405","0.0007","90","","90","","90","","415.43","0.08","293","2","293","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","calcium chlorite","calcium chlorate(III)","","- Ca Cl2 O4 -","- Ca Cl2 O4 -","- Ca4 Cl8 O16 -","4","0.25","WM6100","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Calcium chlorite, Ca(ClO~2~)~2~, from X-ray powder diffraction data","Acta Crystallographica Section E","2005","61","11","i246","i248","10.1107/S160053680503415X","","","1.54178","CuKα","","","","","","","","","","1.81","","","","","","","has coordinates","208235","2020-10-21","18:00:00",""
"2207380","5.9799","0.0012","12.7519","0.0016","5.9787","0.0012","90","","90","","90","","455.91","0.14","293","2","293","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","strontium chlorite","strontium chlorate(III)","","- Cl2 O4 Sr -","- Cl2 O4 Sr -","- Cl8 O16 Sr4 -","4","0.25","WM6101","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Strontium chlorite, Sr(ClO~2~)~2~, from X-ray powder diffraction data","Acta Crystallographica Section E","2005","61","11","i249","i250","10.1107/S1600536805034161","","","1.54178","CuKα","","","","","","","","","","3.03","","","","","","","has coordinates","208235","2020-10-21","18:00:00",""
"2209177","14.9148","0.0002","22.1842","0.0004","22.4259","0.0004","90","","90","","90","","7420.1","0.2","298","2","298","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","Bis[(E)-N'-(2-nitrobenzylidene)-2-oxidobenzohydrazide]bis(pyridine- kN)nickel(II)","","- C38 H30 N8 Ni O8 -","- C38 H30 N8 Ni O8 -","- C304 H240 N64 Ni8 O64 -","8","0.5","HB2036","Qiu, Xiao-Yang; Ma, Ji-Long; Liu, Wei-Sheng; Zhu, Hai-Liang","Bis[(<i>E</i>)-<i>N</i>'-(2-nitrobenzylidene)-2-oxidobenzohydrazide]bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2006","62","6","m1289","m1290","10.1107/S1600536806014541","","","0.71073","MoKα","","0.0537","0.0361","","","0.0988","0.1109","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2219247","16.259","0.005","12.787","0.004","15.442","0.005","90","","90","","90","","3210.5","1.8","291","2","291","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","4,4'-Diazenediyldipyridinium (4-pyridyldiazenyl)pyridinium octacyanidomolybdate(V) tetrahydrate","","- C28 H27 Mo N16 O4 -","- C28 H27 Mo N16 O4 -","- C112 H108 Mo4 N64 O16 -","4","0.25","BR2078","Liu, Wen-Yan; Zhou, Hu; Yuan, Ai-Hua","4,4'-Diazenediyldipyridinium (4-pyridyldiazenyl)pyridinium octacyanidomolybdate(V) tetrahydrate","Acta Crystallographica Section E","2008","64","9","m1151","","10.1107/S160053680802494X","","","0.71073","MoKα","","0.0437","0.0324","","","0.0623","0.0645","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237548","12.403","0.003","16.534","0.003","15.37","0.003","90","","90","","90","","3151.9","1.1","291","2","291","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","4,4'-(Ethene-1,2-diyl)dipyridinium 4-[2-(pyridin-4-yl)ethenyl]pyridinium octacyanidomolybdate(V) tetrahydrate","","- C32 H31 Mo N12 O4 -","- C32 H31 Mo N12 O4 -","- C128 H124 Mo4 N48 O16 -","4","0.25","RZ5039","Yang, Xiao-Zhen; Hu, Ai-Yun; Yuan, Ai-Hua","4,4'-(Ethene-1,2-diyl)dipyridinium 4-[2-(pyridin-4-yl)ethenyl]pyridinium octacyanidomolybdate(V) tetrahydrate","Acta Crystallographica Section E","2013","69","3","m132","","10.1107/S1600536813002985","","","0.71073","MoKα","","0.0215","0.0205","","","0.051","0.0516","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2311345","11.9028","0.0005","32.2189","0.0014","35.5223","0.0015","90","","90","","90","","13622.6","1","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","1-Phenylimido-1-{6-[1-(phenylimino)ethyl]pyridin-2-yl}ethan-1-yl-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iron(II)","","- C42 H38 Fe N6 -","- C42 H38 Fe N6 -","- C672 H608 Fe16 N96 -","16","1","WM5324","Lau, Ka-Cheong; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of 1-phenyl-imido-1-{6-[1-(phenyl-imino)-eth-yl]pyridin-2-yl}ethan-1-yl-κ<sup>3</sup><i>N</i>,<i>N</i>',<i>N</i>'')iron(II).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 11","1595","1598","10.1107/S2056989016015528","","","0.71073","MoKα","","0.0667","0.0534","","","0.1218","0.1278","","","","","","1.193","","","","has coordinates","245812","2020-10-21","18:00:00",""
"2312508","6.9927","0.0009","18.934","0.002","20.808","0.002","90","","90","","90","","2755","0.5","296","","296","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","Poly[[decaaquabis(μ~3~-benzene-1,3,5-tricarboxylato)calcium(II)dizinc(II)] dihydrate]","","- C18 H30 Ca O24 Zn2 -","- C18 H30 Ca O24 Zn2 -","- C72 H120 Ca4 O96 Zn8 -","4","0.25","JX3081","Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003528","","x-ray","0.71073","MoKα","","0.0743","0.0398","","","0.0904","0.1117","","","","","","1.059","","","","has coordinates,has Fobs","291900","2024-05-17","02:02:23",""
"2312583","13.766","0.003","20.162","0.004","30.654","0.006","90","","90","","90","","8508","3","298","","298","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","Tetrakis(2,2'-biimidazole)-1κ^4^<i>N</i>,<i>N</i>';3κ^4^<i>N</i>,<i>N</i>'-di-μ-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>;2:3κ^2^<i>Cl</i>:<i>Cl</i>-dimalonato-2κ^4^<i>O</i>,<i>O</i>'-tricopper(II) pentahydrate","","- C30 H38 Cl2 Cu3 N16 O13 -","- C30 H28 Cl2 Cu3 N16 O8 -","- C240 H224 Cl16 Cu24 N128 O64 -","8","0.5","OJ3021","Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander","Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007897","","x-ray","0.71073","MoKα","","0.0715","0.0513","","","0.1395","0.1537","","","","","","1.04","","","","has coordinates,has Fobs","294175","2024-08-20","01:47:35",""
"3500082","10.5034","0.0007","22.9748","0.0018","9.2342","0.0006","90","","90","","90","","2228.3","0.3","150","","150","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","tetrapentylammonium bromide","","","- C20 H44 Br N -","- C20 H44 Br N -","- C80 H176 Br4 N4 -","4","0.25","","Thierry Maris","Tetrapentylammonium Bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0357","0.033","","","0.0862","0.0902","","","","","","1.083","","","","has coordinates,has Fobs","245320","2020-10-21","18:00:00",""
"4029769","21.271","0.006","25.685","0.007","10.563","0.003","90","","90","","90","","5771","3","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C10 H6 F12 O S2 -","- C10 H6 F12 O S2 -","- C160 H96 F192 O16 S32 -","16","1","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.0402","0.0308","","","0.0745","0.0825","","","","","","1.044","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4033947","30.56","0.006","35.21","0.007","22.18","0.004","90","","90","","90","","23866","8","100","2","100","2","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","","","- C208 H216 -","- C194.352 H185.292 -","- C777.408 H741.168 -","4","0.25","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.9","synchrotron","","0.0982","0.0893","","","0.2758","0.287","","","","","","1.026","","","","has coordinates,has disorder","222521","2020-10-21","18:00:00",""
"4033949","30.56","0.006","35.21","0.007","22.18","0.004","90","","90","","90","","23866","8","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C218 H226 Cl30 -","- C218 H226 Cl30 -","- C872 H904 Cl120 -","4","0.25","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.9","synchrotron","","0.1527","0.1405","","","0.4142","0.4283","","","","","","1.896","","","","has coordinates,has disorder","222524","2020-10-21","18:00:00",""
"4063221","20.1924","0.0003","44.8906","0.0014","23.3886","0.0008","90","","90","","90","","21200.6","1","294","2","294","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C53 H44 F6 Ir O3.5 P5 Pt -","- C53 H44 F6 Ir O3.5 P5 Pt -","- C848 H704 F96 Ir16 O56 P80 Pt16 -","16","1","","Brian T. Sterenberg; Hilary A. Jenkins; Richard J. Puddephatt","Complexes with Platinum-Iridium Bonds: Stepwise Formation of a PtIr2 Cluster Complex","Organometallics","1999","18","","219","226","10.1021/om980665y","","","0.71073","MoKα","","0.0949","0.0414","","0.1328","0.0798","","","","1.011","1.218","1.218","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077210","20.948","0.0003","25.1843","0.0001","16.2816","0.0001","90","","90","","90","","8589.53","0.14","295","2","295","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C60 H120 Mg6 N12 O24 -","- C60 H120 Mg6 N12 O24 -","- C240 H480 Mg24 N48 O96 -","4","0.25","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MoKα","","0.1054","0.0566","","0.185","0.1593","","","","0.953","1.136","1.136","","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4089671","22.967","0.001","28.073","0.002","16.298","0.001","90","","90","","90","","10508.2","1.1","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C72 H84 Ag6 B6 F24 N24 -","- C72 H84 Ag6 N24 -","- C288 H336 Ag24 N96 -","4","0.25","","Segarra, Candela; Guisado-Barrios, Gregorio; Hahn, F. Ekkehardt; Peris, Eduardo","Hexanuclear Cylinder-Shaped Assemblies of Silver and Gold from Benzene‒Hexa-N-heterocyclic Carbenes","Organometallics","2014","33","19","5077","","10.1021/om500729b","","","0.71073","MoKα","","0.1117","0.0871","","","0.276","0.3086","","","","","","1.052","","","","has coordinates","243718","2020-10-21","18:00:00",""
"4100808","10.481","0.007","19.03","0.01","10.894","0.008","90","","90","","90","","2172","2","293.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H16 Br2 Co N6 O2 -","- C22 H16 Br2 Co N6 O2 -","- C88 H64 Br8 Co4 N24 O8 -","4","0.25","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4102651","14.5799","0.0005","27.869","0.001","15.8661","0.0006","90","","90","","90","","6446.8","0.4","153","2","153","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58 H52 Cl2 N4 O4 Pd -","- C58 H52 Cl2 N4 O4 Pd -","- C232 H208 Cl8 N16 O16 Pd4 -","4","0.25","","Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski","Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene","Journal of the American Chemical Society","2010","132","","9420","9429","10.1021/ja102686u","","","0.71073","MoKα","","0.111","0.059","","","0.1469","0.1631","","","","","","1.052","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102652","14.708","0.006","27.671","0.012","16.028","0.007","90","","90","","90","","6523","5","233","2","233","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C63 H64 Cl2 N4 O4 Pt -","- C58 H52 Cl2 N4 O4 Pt -","- C232 H208 Cl8 N16 O16 Pt4 -","4","0.25","","Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski","Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene","Journal of the American Chemical Society","2010","132","","9420","9429","10.1021/ja102686u","","","0.71069","MoKα","","0.0604","0.0534","","","0.1263","0.1286","","","","","","1.908","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4105815","26.589","0.007","31.767","0.008","13.739","0.003","90","","90","","90","","11605","5","291","2","291","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 Cu4 I2 N18 S4 W -","- C36 H24 Cu4 I2 N18 S4 W -","- C288 H192 Cu32 I16 N144 S32 W8 -","8","0.5","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules","Journal of the American Chemical Society","2011","133","","4172","4174","10.1021/ja109437d","","","0.71073","MoKα","","0.0729","0.049","","","0.1223","0.1298","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105816","26.86","0.006","31.492","0.007","13.905","0.005","90","","90","","90","","11762","6","291","2","291","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 Cu4 I2 N18 S4 W -","- C36 H24 Cu4 I2 N18 S4 W -","- C288 H192 Cu32 I16 N144 S32 W8 -","8","0.5","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules","Journal of the American Chemical Society","2011","133","","4172","4174","10.1021/ja109437d","","","0.71073","MoKα","","0.0839","0.0636","","","0.1581","0.1676","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106235","11.426","0.002","18.457","0.004","18.34","0.004","90","","90","","90","","3867.7","1.4","93.15","","93.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H10 N O4 Zn -","- C16 H10 N O4 Zn -","- C128 H80 N8 O32 Zn8 -","8","0.5","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.0753","0.0684","","","0.1713","0.1763","","","","","","1.194","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4107307","18.537","0.0019","46.211","0.005","34.925","0.004","90","","90","","90","","29917","6","153","2","153","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H72 Cu12 N24 -","- C60 H72 Cu12 N24 -","- C960 H1152 Cu192 N384 -","16","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.0712","0.0512","","","0.1015","0.1109","","","","","","1.029","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107308","19.2056","0.0005","47.9669","0.0016","36.2063","0.0009","90","","90","","90","","33354.4","1.6","213","2","213","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H72 Ag12 N24 -","- C60 H72 Ag12 N24 -","- C960 H1152 Ag192 N384 -","16","1","","Jie-Peng Zhang; Susumu Kitagawa","Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate","Journal of the American Chemical Society","2008","130","","907","917","10.1021/ja075408b","","","0.71073","MoKα","","0.0703","0.0494","","","0.0879","0.0975","","","","","","1.014","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107349","16.617","0.003","19.661","0.004","12.12","0.002","90","","90","","90","","3959.7","1.3","163","2","163","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C44 H28 Cd Cl2 N8 O8 -","- C44 H28 Cd Cl2 N8 O8.02 -","- C176 H112 Cd4 Cl8 N32 O32.08 -","4","0.25","","Gregory M. Cockrell; Gang Zhang; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock","Enhanced Metal Ion Selectivity of 2,9-Di-(pyrid-2-yl)-1,10-phenanthroline and Its Use as a Fluorescent Sensor for Cadmium(II)","Journal of the American Chemical Society","2008","130","","1420","1430","10.1021/ja077141m","","","0.71073","MoKα","","0.0367","0.0321","","","0.0705","0.0734","","","","","","1.138","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4109859","17.2416","0.0009","25.4186","0.0013","15.1465","0.0008","90","","90","","90","","6638.1","0.6","90","2","90","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Compound 6","","","- C78 H74 D18 Hg2 -","- C78 H74 D18 Hg2 -","- C312 H296 D72 Hg8 -","4","0.25","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.0447","0.0192","","","0.0404","0.0508","","","","","","1.13","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4111696","11.905","0.002","19.325","0.003","17.425","0.003","90","","90","","90","","4008.9","1.1","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 Co N5 O6 -","- C15 H12 Co N5 O6 -","- C120 H96 Co8 N40 O48 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0521","0.0448","","","0.1212","0.1287","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111697","12.22","0.004","19.151","0.007","17.46","0.006","90","","90","","90","","4086","2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 Co N5 O7 -","- C17 H13 Co N5 O7 -","- C136 H104 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0562","0.0444","","","0.1277","0.1391","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111698","12.0529","0.0015","19.227","0.002","17.48","0.002","90","","90","","90","","4050.8","0.8","300","2","300","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H16 Co N5 O7 -","- C16 H16 Co N5 O7 -","- C128 H128 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0752","0.056","","","0.1526","0.1707","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111699","11.984","0.008","19.23","0.013","17.372","0.012","90","","90","","90","","4003","5","300","2","300","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H15 Co N6 O6 -","- C17 H15 Co N6 O6 -","- C136 H120 Co8 N48 O48 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0841","0.0714","","","0.1899","0.1996","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111700","12.699","0.013","19.21","0.02","17.76","0.02","90","","90","","90","","4333","8","320","2","320","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C18 H18 Co N5 O7 -","- C18 H18 Co N5 O7 -","- C144 H144 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0943","0.0683","","","0.1709","0.1945","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111701","13.116","0.005","19.085","0.007","17.934","0.007","90","","90","","90","","4489","3","310","2","310","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C19 H20 Co N5 O7 -","- C19 H20 Co N5 O7 -","- C152 H160 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.1295","0.0944","","","0.2571","0.2962","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4112834","12.156","0.002","18.891","0.003","17.584","0.003","90","","90","","90","","4038","1.2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 N5 Ni O7 -","- C17 H12 N5 Ni O7 -","- C136 H96 N40 Ni8 O56 -","8","0.5","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","1.5418","CuKα","","0.1728","0.0848","","0.2435","0.2028","","","","0.945","1.252","1.252","","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112835","11.883","0.001","19.049","0.001","17.415","0.001","90","","90","","90","","3942","0.5","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 N5 Ni O6 -","- C15 H12 N5 Ni O6 -","- C120 H96 N40 Ni8 O48 -","8","0.5","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","0.71073","MoKα","","0.0819","0.0676","","0.221","0.2085","","","","1.105","1.211","1.211","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4116219","27.863","0.003","43.569","0.003","29.333","0.002","90","","90","","90","","35609","5","213","2","213","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C209.5 H182 Cl2 N10 Pd2.5 -","- C209.5 H182 Cl2 N10 Pd2.5 -","- C1676 H1456 Cl16 N80 Pd20 -","8","0.5","","Dayong Sun; Fook S. Tham; Christopher A. Reed; Leila Chaker; Michael Burgess; Peter D. W. Boyd","Porphyrin-Fullerene Host-Guest Chemistry","Journal of the American Chemical Society","2000","122","","10704","10705","10.1021/ja002214m","","","0.71073","MoKα","","0.1281","0.0753","","","0.1945","0.2745","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119013","11.8248","0.0019","25.228","0.004","17.106","0.003","90","","90","","90","","5103","1.5","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C48 H72 Si10 -","- C48 H72 Si10 -","- C192 H288 Si40 -","4","0.25","","Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto","New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution","Journal of the American Chemical Society","2012","134","","20029","20032","10.1021/ja310391m","","","0.71073","MoKα","","0.0409","0.0352","","","0.0925","0.0985","","","","","","1.083","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119726","16.5121","0.0005","28.0431","0.0009","16.4572","0.0005","90","","90","","90","","7620.5","0.4","153","2","153","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C27.5 H61.5 Ge4.5 Si3 -","- C27.56 H61.56 Ge4.5 Si3 -","- C220.48 H492.48 Ge36 Si24 -","8","0.5","","Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi","Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid","Journal of the American Chemical Society","2013","135","","6770","6773","10.1021/ja401650q","","","0.71073","MoKα","","0.0354","0.0241","","","0.0548","0.0628","","","","","","1.084","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4121281","33.2055","0.0011","64.785","0.002","32.7759","0.0011","90","","90","","90","","70508","4","299","2","299","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","Au23(SR)16","","","- C128 H244 Au23 N S16 -","- C114 H176 Au23 N S16 -","- C1824 H2816 Au368 N16 S256 -","16","1","","Anindita Das; Tao Li; Katsuyuki Nobusada; Chenjie Zeng; Nathaniel L. Rosi; Rongchao Jin","Nonsuperatomic [Au23(SC6H11)16]- Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif","Journal of the American Chemical Society","2013","135","","18264","18267","10.1021/ja409177s","","","1.54178","CuKα","","0.1462","0.0721","","","0.1798","0.2244","","","","","","1.053","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4122753","19.0807","0.0018","42.12","0.005","22.668","0.002","90","","90","","90","","18218","3","120","2","120","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C50 H65.25 Cl Co N5.94 O2.16 -","- C50 H65.257 Cl Co N5.937 O2.159 -","- C800 H1044.11 Cl16 Co16 N94.992 O34.544 -","16","1","","Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten","An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product.","Journal of the American Chemical Society","2014","136","42","15072","15078","10.1021/ja508144j","","","0.71073","MoKα","","0.0948","0.0584","","","0.1106","0.1164","","","","","","1.639","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4129464","24.2579","0.0012","25.5595","0.0012","30.1104","0.0011","90","","90","","90","","18669","1.4","123","0.1","123","0.1","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C73.3 H112 Br4 F7.88 I2.4 N4 O14 -","- C73.2996 H111.999 Br4 F7.88 I2.4 N4 O13.9998 -","- C586.397 H895.994 Br32 F63.04 I19.2 N32 O111.998 -","8","0.5","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1662","0.1279","","","0.3136","0.3422","","","","","","1.102","","","","has coordinates,has disorder","240179","2020-10-21","18:00:00",""
"4130140","14.2793","0.0004","16.5304","0.0005","23.6","0.0008","90","","90","","90","","5570.6","0.3","150","2","150","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C54 H28 Cl4 F8 Ir2 N4 O6 -","- C54 H28 Cl4 F8 Ir2 N4 O6 -","- C216 H112 Cl16 F32 Ir8 N16 O24 -","4","0.25","","Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.","Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.","Journal of the American Chemical Society","2016","138","11","3643","3646","10.1021/jacs.6b00715","","x-ray","0.71073","MoKα","","0.052","0.0406","","","0.0796","0.0842","","","","","","1.159","","","","has coordinates","240700","2020-10-21","18:00:00",""
"4131829","33.0713","0.0012","63.499","0.003","32.3807","0.0011","90","","90","","90","","67999","5","230.01","","230.01","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C112 H176 Au21.34 Cu1.66 N S16 -","- C112 H176 Au21.341 Cu1.659 N S16 -","- C1792 H2816 Au341.456 Cu26.544 N16 S256 -","16","1","","Li, Qi; Lambright, Kelly J.; Taylor, Michael G.; Kirschbaum, Kristin; Luo, Tian-Yi; Zhao, Jianbo; Mpourmpakis, Giannis; Mokashi-Punekar, Soumitra; Rosi, Nathaniel L.; Jin, Rongchao","Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping.","Journal of the American Chemical Society","2017","139","49","17779","17782","10.1021/jacs.7b11491","","x-ray","1.54178","CuKα","","0.1072","0.0702","","","0.1685","0.1974","","","","","","1.071","","","","has coordinates","241964","2020-10-21","18:00:00",""
"4134734","12.0098","0.0009","34.634","0.003","39.679","0.003","90","","90","","90","","16504","2","100","2","100","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.0903","0.0752","","","0.204","0.2162","","","","","","1.044","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4135098","34.0184","0.0007","26.2564","0.0006","21.7846","0.0005","90","","90","","90","","19458","0.7","170.15","","170.15","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C480 H880 Au112 S80 -","4","0.25","","Xia, Nan; Yuan, Jinyun; Liao, Lingwen; Zhang, Wenhao; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Structural Oscillation Revealed in Gold Nanoparticles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02117","","","1.34139","GaKα","","0.1112","0.0879","","","0.2179","0.2368","","","","","","1.012","","","","has coordinates","253637","2020-10-21","18:00:00",""
"4301951","19.9969","0.0017","23.74","0.002","18.1741","0.0016","90","","90","","90","","8627.7","1.3","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C43 H64 O7 V -","- C42 H60 O6 V -","- C336 H480 O48 V8 -","8","0.5","","Aimee M. Morris; Cortlandt G. Pierpont; Richard G. Finke","Synthesis and Characterization of VV(3,6-DBSQ)(3,6-DBCat)2, a d0 Metal Complex with Dioxygenase Catalytic Activity","Inorganic Chemistry","2009","48","","3496","3498","10.1021/ic802122q","","","0.71073","MoKα","","0.084","0.054","","","0.1195","0.1325","","","","","","1.071","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302463","15.6192","0.0018","19.3293","0.0012","16.98","0.004","90","","90","","90","","5126.4","1.4","150","2","150","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C22 H30 N6 Ni2 O8 -","- C22 H30 N6 Ni2 O8 -","- C176 H240 N48 Ni16 O64 -","8","0.5","","Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh","The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand","Inorganic Chemistry","2009","48","","5848","5860","10.1021/ic9001863","","","0.71073","MoKα","","0.1193","0.0465","","","0.0867","0.0984","","","","","","0.714","","","","has coordinates","179062","2020-10-21","18:00:00",""
"4304005","17.3669","0.0013","25.742","0.002","19.5594","0.0015","90","","90","","90","","8744.2","1.2","173","2","173","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","complex 9 (I-35 vv)","","","- C56 H56 B4 Cu4 F16 N24 -","- C56 H64 B4 Cu4 F16 N24 -","- C224 H256 B16 Cu16 F64 N96 -","4","0.25","","Blanca R. Manzano; Félix A. Jalón; Isabel M. Ortiz; M. Laura Soriano; Felipe Gómez de la Torre; José Elguero; Miguel A. Maestro; Kurt Mereiter; Tim D. W. Claridge","Self-assembly of Ligands Designed for the Building of a New Type of [2 x 2] Metallic Grid. Anion Encapsulation and Diffusion NMR Spectroscopy","Inorganic Chemistry","2008","47","","413","428","10.1021/ic701117a","","","0.71073","MoKα","","0.0768","0.0474","","","0.1402","0.1531","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304129","14.29","0.003","19.213","0.002","24.033","0.002","90","","90","","90","","6598.4","1.6","296","2","296","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C48 H84 N6 P4 Si8 Zr2 -","- C48 H84 N6 P4 Si8 Zr2 -","- C192 H336 N24 P16 Si32 Zr8 -","4","0.25","","Lara Morello; Maria João Ferreira; Brian O. Patrick; Michael D. Fryzuk","Side-On Bound Dinitrogen Complex of Zirconium Supported by a P2N2 Macrocyclic Ligand","Inorganic Chemistry","2008","47","","1319","1323","10.1021/ic701599t","","x-ray","1.5418","CuKα","","0.1383","0.073","","","0.202","0.2383","","","","","","1.021","","","","has coordinates,has disorder","179079","2020-10-21","18:00:00",""
"4307774","18.07","0.0006","18.0766","0.0006","17.9952","0.0006","90","","90","","90","","5878","0.3","90","2","90","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C6 H12.88 Cd3 F2 N9 O4.13 -","- C6 H7.378 Cd3 F2 N9 O4.128 -","- C96 H118.048 Cd48 F32 N144 O66.048 -","16","1","","Wayne Ouellette; Bruce S. Hudson; Jon Zubieta","Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems","Inorganic Chemistry","2007","46","","4887","4904","10.1021/ic062269a","","x-ray","0.71073","MoKα","","0.0393","0.0374","","","0.0911","0.0921","","","","","","1.215","","","","has coordinates,has disorder","179115","2020-10-21","18:00:00",""
"4308811","17.0202","0.0013","21.3162","0.0016","27.282","0.002","90","","90","","90","","9898.1","1.3","123","2","123","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C40 H57 Ag4 N8 O18.5 -","- C40 H57 Ag4 N8 O18.5 -","- C320 H456 Ag32 N64 O148 -","8","0.5","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Well-Resolved, New Water Morphologies Obtained by Modification of the Hydrophilic/Hydrophobic Character and Shapes of the Supporting Layers","Inorganic Chemistry","2005","44","","3146","3150","10.1021/ic0483186","","","0.71073","MoKα","","0.055","0.0391","","","0.0795","0.0834","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310435","20.6773","0.0012","25.2183","0.0014","16.5171","0.0009","90","","90","","90","","8612.8","0.8","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C60 H120 Mg5.04 Mn0.96 N12 O24 -","- C59.968 H120 Mg5.02 Mn0.9672 N12 O24 -","- C239.872 H480 Mg20.08 Mn3.8688 N48 O96 -","4","0.25","","M. Tyler Caudle; Charles K. Mobley; Laura M. Bafaro; Russell LoBrutto; Gordon T. Yee; Thomas L. Groy","EPR and Magnetic Properties of Heteronuclear MnnMg6-n(O2CNEt2)12: Impact of Structural Distortions on Mn(II) in Weak Ligand Fields","Inorganic Chemistry","2004","43","","506","514","10.1021/ic0349757","","","0.71073","MoKα","","0.0962","0.0459","","","0.1137","0.1288","","","","","","0.839","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4316568","16.8876","0.001","22.1696","0.001","16.173","0.001","90","","90","","90","","6055","0.6","173","2","173","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C60 H56 B Cu F4 N4 -","- C60 H56 B Cu F4 N4 -","- C240 H224 B4 Cu4 F16 N16 -","4","0.25","","Vitor Rosa; Carla I. M. Santos; Richard Welter; Gabriel Aullón; Carlos Lodeiro; Teresa Avilés","Comparison of the Structure and Stability of New α-Diimine Complexes of Copper(I) and Silver(I): Density Functional Theory versus Experimental","Inorganic Chemistry","2010","49","","8699","8708","10.1021/ic100450y","","","0.71073","MoKα","","0.0951","0.0628","","","0.1755","0.1917","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316569","16.8436","0.0003","22.5966","0.0005","16.1054","0.0003","90","","90","","90","","6129.8","0.2","173","2","173","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C60 H56 Ag B F4 N4 -","- C60 H56 Ag B F4 N4 -","- C240 H224 Ag4 B4 F16 N16 -","4","0.25","","Vitor Rosa; Carla I. M. Santos; Richard Welter; Gabriel Aullón; Carlos Lodeiro; Teresa Avilés","Comparison of the Structure and Stability of New α-Diimine Complexes of Copper(I) and Silver(I): Density Functional Theory versus Experimental","Inorganic Chemistry","2010","49","","8699","8708","10.1021/ic100450y","","","0.71073","MoKα","","0.0644","0.0447","","","0.1256","0.1395","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4318125","20.8064","0.001","25.1198","0.0012","16.4196","0.0008","90","","90","","90","","8581.7","0.7","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C60 H120 Co1.58 Mg4.42 N12 O24 -","- C60.032 H120 Co1.5804 Mg4.4 N12 O24 -","- C240.128 H480 Co6.3216 Mg17.6 N48 O96 -","4","0.25","","M. Tyler Caudle; Jason B. Benedict; Charles K. Mobley; Nicholas A. Straessler; Thomas L. Groy","Metal Ion Scrambling in Hexanuclear M6(Et2NCO2)12 Complexes (M = Co, Mg). Synthesis, Solid State Structure, and Solution Dynamics of Heteronuclear ConMg6-n(Et2NCO2)12 Complexes","Inorganic Chemistry","2002","41","","3183","3190","10.1021/ic025604d","","","0.71073","MoKα","","0.1555","0.0447","","","0.0896","0.1092","","","","","","0.689","","","","has coordinates,has disorder","179261","2020-10-21","18:00:00",""
"4318126","20.7534","0.0008","25.12","0.001","16.475","0.0007","90","","90","","90","","8588.8","0.6","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C60 H120 Co2.68 Mg3.32 N12 O24 -","- C60.0008 H120 Co2.6868 Mg3.32 N12 O24 -","- C240.003 H480 Co10.7472 Mg13.28 N48 O96 -","4","0.25","","M. Tyler Caudle; Jason B. Benedict; Charles K. Mobley; Nicholas A. Straessler; Thomas L. Groy","Metal Ion Scrambling in Hexanuclear M6(Et2NCO2)12 Complexes (M = Co, Mg). Synthesis, Solid State Structure, and Solution Dynamics of Heteronuclear ConMg6-n(Et2NCO2)12 Complexes","Inorganic Chemistry","2002","41","","3183","3190","10.1021/ic025604d","","","0.71073","MoKα","","0.1033","0.0424","","","0.0968","0.1122","","","","","","0.783","","","","has coordinates,has disorder","179261","2020-10-21","18:00:00",""
"4319455","21.548","0.0015","25.094","0.002","15.4485","0.0011","90","","90","","90","","8353.4","1.1","173","2","173","2","","","","","","","Prof. Ty. Caudle - ASU","5","C c c a :2","-C 2a 2ac","68","00011a","","","- C15 H30 Mg1.5 N3 O6 -","- C15 H30 Mg1.5 N3 O6 -","- C240 H480 Mg24 N48 O96 -","16","1","","M. Tyler Caudle; Ronald A. Nieman; Victor G. Young","Assembly of the Inorganic Double Helix Mg6(Et2NCO2)12 by Fixation of Carbon Dioxide: Crystal and Solution Structure","Inorganic Chemistry","2001","40","","1571","1575","10.1021/ic0009425","","","0.71073","MoKα","","0.0434","0.0323","","0.0978","0.0878","","","","1.045","1.039","1.039","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4319719","18.2133","0.0001","38.0914","0.0004","10.2665","0.0001","90","","90","","90","","7122.59","0.11","158","2","158","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- K8.5 La1.17 P4 Se16 -","- K8.5 La1.16 P4 Se16 -","- K68 La9.28 P32 Se128 -","8","0.5","","Evenson; Peter K. Dorhout","Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4","Inorganic Chemistry","2001","40","","2875","2883","10.1021/ic000595z","","","0.71073","MoKα","","0.1052","0.0542","","0.1324","0.1143","","","","1.092","1.257","1.257","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319725","17.529","0.009","36.43","0.028","9.782","0.004","90","","90","","90","","6247","6","167","2","167","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- K8.5 La1.17 P4 S16 -","- K8.5 La1.16 P4 S16 -","- K68 La9.28 P32 S128 -","8","0.5","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.1705","0.0676","","0.155","0.116","","","","1.049","1.168","1.168","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320381","25.422","0.006","28.228","0.005","16.741","0.008","90","","90","","90","","12014","7","296.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C53 H70 Cs N25 Ni2 O -","- C48 H58 Cs N25 Ni2 O2 -","- C384 H464 Cs8 N200 Ni16 O16 -","8","0.5","","Makoto Tadokoro; Takumasa Shiomi; Kiyoshi Isobe; Kazuhiro Nakasuji","Cesium(I)-Mediated 3-D Superstructures by One-Pot Self-Organization of Hydrogen-Bonded Nickel Complexes","Inorganic Chemistry","2001","40","","5476","5478","10.1021/ic010331s","","","0.7107","MoKα","","","0.0415","","","","0.0523","","","","","","1.235","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321477","19.031","0.004","33.627","0.007","14.299","0.003","90","","90","","90","","9151","3","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C18 H17 Co N8 O7 -","- C72 H60 Co4 N32 O27.96 -","- C288 H240 Co16 N128 O111.84 -","4","0.25","","Yu-Bin Dong; Mark D. Smith; Hans-Conrad zur Loye","New Inorganic/Organic Coordination Polymers Generated from Bidentate Schiff-Base Ligands","Inorganic Chemistry","2000","39","","4927","4935","10.1021/ic0006504","","","0.7107","MoKα","","0.0628","0.0437","","","0.1063","0.1165","","","","","","1.086","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4322034","13.328","0.003","26.639","0.005","6.774","0.002","90","","90","","90","","2405.1","1","153","2","153","2","","","","","","","synthesized","5","C c c a :2","-C 2a 2ac","68","","Bis(trans-dichloro-bis(propylamine))-di-molybdenum(II)","","- C12 H36 Cl4 Mo2 N4 -","- C12 H36 Cl4 Mo1.998 N4 -","- C48 H144 Cl16 Mo7.992 N16 -","4","0.25","","F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 3. Preparation, Characterization, and Crystal Structure of Mo2Cl4(NH2R)4 (R = Et, Prn, But, Cy): First Quadruply-Bonded Dimolybdenum Compounds with Primary Amine Ligands","Inorganic Chemistry","1999","38","","2649","2654","10.1021/ic981289c","","","0.71073","MoKα","","0.0705","0.0316","","0.0839","0.0732","","","","1.076","1.177","1.177","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4328733","23.533","0.004","29.906","0.004","15.98","0.002","90","","90","","90","","11246","3","298","2","298","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C54 H44 Ag2 F12 N8 O2 P2 -","- C54 H44 Ag2 F12 N8 O2 P2 -","- C432 H352 Ag16 F96 N64 O16 P16 -","8","0.5","","Chao Fang; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Independent 1D Nanosized Metal-Organic Tube: Anion Exchange, Separation, and Anion-Responsive Luminescence","Inorganic Chemistry","2012","51","","3923","3925","10.1021/ic201765u","","","0.71073","MoKα","","0.0947","0.0644","","","0.1937","0.2316","","","","","","1.019","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328734","22.456","0.004","29.527","0.006","16.123","0.003","90","","90","","90","","10690","4","173","2","173","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C55 H48 Ag2 Cl2 N8 O9.5 -","- C55 H48 Ag2 Cl2 N8 O9.5 -","- C440 H384 Ag16 Cl16 N64 O76 -","8","0.5","","Chao Fang; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Independent 1D Nanosized Metal-Organic Tube: Anion Exchange, Separation, and Anion-Responsive Luminescence","Inorganic Chemistry","2012","51","","3923","3925","10.1021/ic201765u","","","0.71073","MoKα","","0.0959","0.0566","","","0.1257","0.1439","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328735","24.238","0.004","30.052","0.006","15.646","0.003","90","","90","","90","","11397","4","293","2","293","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C53 H50 Ag2 F12 N8 O2 Sb2 -","- C53 H50 Ag2 F12 N8 O2 Sb2 -","- C424 H400 Ag16 F96 N64 O16 Sb16 -","8","0.5","","Chao Fang; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Independent 1D Nanosized Metal-Organic Tube: Anion Exchange, Separation, and Anion-Responsive Luminescence","Inorganic Chemistry","2012","51","","3923","3925","10.1021/ic201765u","","","0.71073","MoKα","","0.1025","0.0502","","","0.1288","0.1621","","","","","","0.993","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4332897","18.003","0.002","30.929","0.004","19.443","0.003","90","","90","","90","","10826","2","223.1","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C45 H36 N20 Ni2 O S4 -","- C45 H35 N20 Ni2 O S4 -","- C360 H280 N160 Ni16 O8 S32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0379","","","","0.0734","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332898","17.952","0.002","30.817","0.004","19.435","0.004","90","","90","","90","","10752","3","173.1","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C46 H38 N20 Ni2 O S4 -","- C46 H32 N20 Ni2 O S4 -","- C368 H256 N160 Ni16 O8 S32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0447","","","","0.0682","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332899","17.9172","0.0017","31.246","0.003","19.332","0.002","90","","90","","90","","10822.8","1.8","273.1","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C44 H32 N20 Ni2 S4 -","- C44 H32 N20 Ni2 S4 -","- C352 H256 N160 Ni16 S32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0409","","","","0.0569","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332900","18.092","0.003","31.514","0.005","19.15","0.002","90","","90","","90","","10918","3","93.1","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C45 H36 N20 Ni2 O Se4 -","- C45 H35 N20 Ni2 O Se4 -","- C360 H280 N160 Ni16 O8 Se32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0557","","","","0.0645","","","","","","1.245","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332901","18.154","0.002","31.786","0.003","19.053","0.002","90","","90","","90","","10994","2","273.1","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C44 H32 N20 Ni2 Se4 -","- C44 H32 N20 Ni2 Se4 -","- C352 H256 N160 Ni16 Se32 -","8","0.5","","Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers","Inorganic Chemistry","2006","45","22","8990","8997","10.1021/ic061052d","","","0.71075","MoKα","","","0.0379","","","","0.0514","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333531","20.265","0.003","27.289","0.005","13.671","0.002","90","","90","","90","","7560","2","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C36.5 H56 Cl N3 Ni O2 -","- C36 H54 N3 Ni O2 -","- C288 H432 N24 Ni8 O16 -","8","0.5","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","0.71073","MoKα","","0.0516","0.0435","","","0.125","0.13","","","","","","1.06","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333535","20.9576","0.0015","27.4967","0.0019","13.3106","0.0009","90","","90","","90","","7670.4","0.9","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C37.5 H56 Cl N3 Ni O2 -","- C37 H55 N3 Ni O2 -","- C296 H440 N24 Ni8 O16 -","8","0.5","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","0.71073","MoKα","","0.0843","0.0806","","","0.1738","0.1756","","","","","","1.321","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336968","10.0707","0.0009","24.215","0.003","26.085","0.003","90","","90","","90","","6361.1","1.2","296","2","296","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C20 H34 Ag2 N8 O7 S -","- C20 H34 Ag2 N8 O7 S -","- C160 H272 Ag16 N64 O56 S8 -","8","0.5","","Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu","Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties","Inorganic Chemistry","2013","52","","14018","14027","10.1021/ic401765r","","","0.71073","MoKα","","0.0961","0.0547","","","0.1454","0.17","","","","","","1.035","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4338609","19.96","0.002","26.455","0.003","27.789","0.003","90","","90","","90","","14674","3","228","2","228","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C32 H52 Ni P2 -","- C32 H52 Ni P2 -","- C512 H832 Ni16 P32 -","16","1","","Boro, Brian J.; Duesler, Eileen N.; Goldberg, Karen I.; Kemp, Richard A.","Synthesis, Characterization, and Reactivity of Nickel Hydride Complexes Containing 2,6-C6H3(CH2PR2)2(R = tBu,cHex, and iPr) Pincer Ligands","Inorganic Chemistry","2009","48","12","5081","5087","10.1021/ic8020194","","","0.71073","MoKα","","0.0678","0.0408","","","0.1153","0.1308","","","","","","1.058","","","","has coordinates","210045","2020-10-21","18:00:00",""
"4339376","26.36","0.005","35.07","0.007","38.697","0.008","90","","90","","90","","35773","12","86","2","86","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C200 H168 Cu6 N60 O64 S4 -","- C200 H168 Cu6 N53 O43 S4 -","- C800 H672 Cu24 N212 O172 S16 -","4","0.25","","Park, Jaejoon; Hong, Seunghee; Moon, Dohyun; Park, Mira; Lee, Kyungjin; Kang, Sangmi; Zou, Yang; John, Rohith P.; Kim, Ghyung Hwa; Lah, Myoung Soo","Porous metal-organic frameworks based on metal-organic polyhedra with nanosized cavities as supramolecular building blocks: two-fold interpenetrating primitive cubic networks of [Cu6L8]12+ nanocages.","Inorganic chemistry","2007","46","24","10208","10213","10.1021/ic7013623","","","0.7","synchrotron","","0.099","0.0818","","","0.2454","0.2598","","","","","","1.02","","","","has coordinates","179496","2020-10-21","18:00:00",""
"4346115","14.949","0.0007","17.2332","0.0009","15.3952","0.0007","90","","90","","90","","3966.1","0.3","115","2","115","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C24 H56 Cu4 I4 S4 -","- C24 H56 Cu4 I4 S4 -","- C96 H224 Cu16 I16 S16 -","4","0.25","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71069","MoKα","","0.0585","0.0442","","","0.0795","0.0868","","","","","","1.12","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346116","15.0029","0.0007","17.3127","0.001","15.4099","0.0008","90","","90","","90","","4002.6","0.4","155","2","155","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C24 H56 Cu4 I4 S4 -","- C24 H56 Cu4 I4 S4 -","- C96 H224 Cu16 I16 S16 -","4","0.25","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0579","0.043","","","0.0803","0.0881","","","","","","1.084","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346117","15.0958","0.0007","17.4315","0.001","15.4249","0.0008","90","","90","","90","","4058.9","0.4","195","2","195","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C24 H56 Cu4 I4 S4 -","- C24 H56 Cu4 I4 S4 -","- C96 H224 Cu16 I16 S16 -","4","0.25","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0654","0.0443","","","0.0798","0.0903","","","","","","1.123","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346118","15.2514","0.0007","17.6098","0.001","15.4457","0.0008","90","","90","","90","","4148.3","0.4","235","2","235","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C24 H56 Cu4 I4 S4 -","- C24 H56 Cu4 I4 S4 -","- C96 H224 Cu16 I16 S16 -","4","0.25","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0806","0.0544","","","0.1294","0.1453","","","","","","1.136","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346247","14.313","0.004","19.807","0.006","25.416","0.008","90","","90","","90","","7205","4","150","2","150","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C72 H74 Au2 F12 N2 P4 Sb2 -","- C72 H74 Au2 F12 N2 P4 Sb2 -","- C288 H296 Au8 F48 N8 P16 Sb8 -","4","0.25","","Pal, Shiv; Kathewad, Neha; Pant, Rakesh; Khan, Shabana","Synthesis, Characterization, and Luminescence Studies of Gold(I) Complexes with PNP- and PNB-Based Ligand Systems.","Inorganic chemistry","2015","54","21","10172","10183","10.1021/acs.inorgchem.5b01046","","","0.71073","MoKα","","0.1552","0.0856","","","0.1717","0.2074","","","","","","1.211","","","","has coordinates","231688","2020-10-21","18:00:00",""
"4347048","19.814","0.004","19.863","0.004","12.427","0.003","90","","90","","90","","4890.8","1.8","173","2","173","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C20 H20 Au2 B2 F8 N4 -","- C20 H20 Au2 B2 F8 N4 -","- C160 H160 Au16 B16 F64 N32 -","8","0.5","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.041","0.0355","","","0.0991","0.1022","","","","","","1.224","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4350272","10.163","0.0011","10.6042","0.0015","10.1858","0.001","90","","90","","90","","1097.7","0.2","200","2","200","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C4 H4 Cl N2 Zn0.5 -","- C8 H8 Cl2 N4 Zn -","- C32 H32 Cl8 N16 Zn4 -","4","0.25","","Bhosekar, Gaurav; Jess, Inke; Näther, Christian","On the preparation of coordination polymers by controlled thermal decomposition: synthesis, crystal structures, and thermal properties of zinc halide pyrazine coordination compounds.","Inorganic chemistry","2006","45","16","6508","6515","10.1021/ic060298f","","","0.71073","MoKα","","0.0311","0.026","","","0.0692","0.0725","","","","","","1.049","","","","has coordinates","239821","2020-10-21","18:00:00",""
"4503125","20.3474","0.001","39.859","0.002","9.3583","0.0005","90","","90","","90","","7589.8","0.7","233","2","233","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H13 F3 N2 O4 Pb -","- C16 H13 F3 N2 O4 Pb -","- C256 H208 F48 N32 O64 Pb16 -","16","1","","Peedikakkal, Abdul Malik Puthan; Vittal, Jagadese J.","Molecular Fabric Structure Formed by the 1D Coordination Polymer, [Pb(bpe)(O2CCH3)(O2CCF3)]","Crystal Growth & Design","2008","8","2","375","","10.1021/cg070538h","","","0.71073","MoKα","","0.0479","0.0375","","","0.1061","0.112","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509951","16.966","0.004","38.644","0.01","6.9694","0.0018","90","","90","","90","","4569","2","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","11,12-bisC3F7dibenzphenazine","11,12-bis(perfluoropropyl)-dibenz[a,c]phenazine","","- C26 H10 F14 N2 -","- C26 H10 F14 N2 -","- C208 H80 F112 N16 -","8","0.5","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0338","0.0254","","","0.0682","0.0766","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510054","26.138","0.003","35.912","0.003","22.594","0.002","90","","90","","90","","21208","4","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C136 H188 Cu12 N4 O68 -","- C136 H120 Cu12 N4 O68 -","- C544 H480 Cu48 N16 O272 -","4","0.25","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.114","0.0711","","","0.2172","0.2417","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511957","20.2466","0.0003","29.3207","0.0004","43.1643","0.0006","90","","90","","90","","25624.2","0.6","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C208 H130 Ag18 N132 O34 -","- C208 H120 Ag18 N132 O34 -","- C832 H480 Ag72 N528 O136 -","4","0.25","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0877","0.0781","","","0.2205","0.2289","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4513240","7.7529","0.0002","20.1808","0.0006","27.1449","0.0008","90","","90","","90","","4247.1","0.2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","N-iodosuccinimide/pyridine","","","- C9 H9 I N2 O2 -","- C9 H9 I N2 O2 -","- C144 H144 I16 N32 O32 -","16","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.1161","0.0489","","","0.1074","0.1358","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4514944","17.1736","0.0006","28.5197","0.0011","15.4911","0.0005","90","","90","","90","","7587.3","0.5","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C37 H21 Cl3 Cu N4 O10 -","- C37 H21 Cl3 Cu N4 O10 -","- C296 H168 Cl24 Cu8 N32 O80 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","1.54178","CuKα","","0.0936","0.0832","","","0.2568","0.2659","","","","","","1.051","","","","has coordinates","220110","2020-10-21","18:00:00",""
"4514945","17.033","0.002","28.521","0.006","15.29","0.002","90","","90","","90","","7428","2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H18 Cu N4 O14 -","- C34 H18 Cu N4 O14 -","- C272 H144 Cu8 N32 O112 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","0.71073","MoKα","","0.1795","0.1284","","","0.3211","0.3441","","","","","","1.938","","","","has coordinates","220111","2020-10-21","18:00:00",""
"4514946","17.354","0.002","28.747","0.005","15.0069","0.0019","90","","90","","90","","7486.6","1.8","373","2","373","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H20 Cu N4 O11 -","- C34 H20 Cu N4 O11 -","- C272 H160 Cu8 N32 O88 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","0.71073","MoKα","","0.1937","0.0841","","","0.2178","0.2775","","","","","","1.004","","","","has coordinates","220112","2020-10-21","18:00:00",""
"4515404","21.03","0.05","39.44","0.1","9.92","0.03","90","","90","","90","","8228","4","120","","120","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C76 H72 Cu F6 N8 O12 S2 -","- C76 H72 Cu F6 N8 O12 S2 -","- C304 H288 Cu4 F24 N32 O48 S8 -","4","0.25","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.183","0.0926","","","0.2435","0.3167","","","","","","1.077","","","","has coordinates,has disorder","225558","2020-10-21","18:00:00",""
"6000582","6.448","","11.606","","6.441","","90","","90","","90","","482.02","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- Au0.73 Ni0.27 Sn4 -","- Au0.733 Ni0.267 Sn4 -","- Au2.932 Ni1.068 Sn16 -","4","0.25","","Zavalij, L.; Zribi, A.; Chromik, R. R.; Pitely, S.; Zavalij, P. Y.; Cotts, E. J.","Crystal structure of Au1-xNixSn4 intermetallic alloys","Journal of Alloys and Compounds","2002","334","","79","85","10.1016/S0925-8388(01)01780-7","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277869","2022-09-15","09:05:59",""
"6000583","6.4237","0.0003","11.5219","0.0006","6.3842","0.0003","90","","90","","90","","472.53","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- Au0.51 Ni0.49 Sn4 -","- Au0.512 Ni0.488 Sn4 -","- Au2.048 Ni1.952 Sn16 -","4","0.25","","Zavalij, L.; Zribi, A.; Chromik, R. R.; Pitely, S.; Zavalij, P. Y.; Cotts, E. J.","Crystal structure of Au1-xNixSn4 intermetallic alloys","Journal of Alloys and Compounds","2002","334","","79","85","10.1016/S0925-8388(01)01780-7","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277869","2022-09-15","09:06:00",""
"6000584","6.523","0.002","11.676","0.004","6.485","0.002","90","","90","","90","","493.91","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- Au0.91 Ni0.09 Sn4 -","- Au0.906 Ni0.094 Sn4 -","- Au3.624 Ni0.376 Sn16 -","4","0.25","","Zavalij, L.; Zribi, A.; Chromik, R. R.; Pitely, S.; Zavalij, P. Y.; Cotts, E. J.","Crystal structure of Au1-xNixSn4 intermetallic alloys","Journal of Alloys and Compounds","2002","334","","79","85","10.1016/S0925-8388(01)01780-7","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277869","2022-09-15","09:06:00",""
"7001470","24.055","0.001","31.779","0.001","23.454","0.001","90","","90","","90","","17929.3","1.2","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C22.2 H80.8 Mg4 O22.2 -","- C22.203 H79.609 Mg4 O22.203 -","- C355.248 H1273.74 Mg64 O355.248 -","16","1","","Wuttke, Stefan; Lehmann, Anja; Scholz, Gudrun; Feist, Michael; Dimitrov, Anton; Troyanov, Sergey I.; Kemnitz, Erhard","Investigation of the fluorolysis of magnesium methoxide","Dalton Transactions","2009","","24","4729","4734","10.1039/b901030k","","","0.71073","MoKα","","0.1049","0.0811","","","0.1982","0.2105","","","","","","1.098","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7002483","26.701","0.005","19.466","0.004","10.047","0.003","90","","90","","90","","5222","2","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C44 H59 Cl2 Mn2 N5 O16 -","- C44 H59 Cl2 Mn2 N5 O16 -","- C176 H236 Cl8 Mn8 N20 O64 -","4","0.25","","Banu, Kazi Sabnam; Chattopadhyay, Tanmay; Banerjee, Arpita; Mukherjee, Madhuparna; Bhattacharya, Santanu; Patra, Goutam Kumar; Zangrando, Ennio; Das, Debasis","Mono- and dinuclear manganese(III) complexes showing efficient catechol oxidase activity: syntheses, characterization and spectroscopic studies","Dalton Transactions","2009","","40","8755","8764","10.1039/b902498k","","","0.71073","MoKα","","0.0965","0.048","","","0.1285","0.1457","","","","","","0.859","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007397","18.5969","0.0007","22.4917","0.0007","10.3271","0.0004","90","","90","","90","","4319.6","0.3","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","(MnL(H2O)2)2(H2O)6","[MnL(H2O)2]2(H2O)6","","- C24 H44 Mn2 N4 O18 S6 -","- C24 H32 Mn2 N4 O18 S6 -","- C96 H128 Mn8 N16 O72 S24 -","4","0.25","","Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian","Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4047","4055","10.1039/b604579k","","","0.71073","MoKα","","0.0812","0.0515","","","0.1342","0.1559","","","","","","1.104","","","","has coordinates,has disorder","179777","2020-10-21","18:00:00",""
"7010497","10.1904","0.0004","10.1981","0.0006","11.1516","0.0007","90","","90","","90","","1158.9","0.11","173","2","173","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","catena-(bis(mu-pyrazine) dibromo zinc(II))","","- C8 H8 Br2 N4 Zn -","- C7.992 H7.992 Br2 N4 Zn -","- C31.968 H31.968 Br8 N16 Zn4 -","4","0.25","","Bourne, Susan A.; Kilkenny, Mairi; Nassimbeni, Luigi R.","One- and two-dimensional coordination polymers of zinc(II) with pyrazine. Solid state reactions and decomposition kinetics of the interconversion reactions","Journal of the Chemical Society, Dalton Transactions","2001","","8","1176","","10.1039/b009771n","","","0.7107","MoKα","","0.0451","0.0301","","","0.0736","0.084","","","","","","1.071","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012005","15.479","0.003","17.48","0.004","14.666","0.003","90","","90","","90","","3968.2","1.4","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C32 H56 Al2 Ni O12 -","- C32 H56 Al2 Ni O12 -","- C128 H224 Al8 Ni4 O48 -","4","0.25","","Kessler, Vadim G.; Gohil, Suresh; Parola, Stephane","Interaction of some divalent metal acetylacetonates with Al, Ti, Nb and Ta isopropoxides. Factors influencing the formation and stability of heterometallic alkoxide complexesElectronic supplementary information (ESI) available: synthesis details for 5‒7; microanalysis data for 1‒9; tables of selected bond lengths and angles for 1‒5 and 7‒9; variable temperature 1H NMR spectra for 7 and 8; UV-Vis spectrum of 6 in toluene after various times. See http://www.rsc.org/suppdata/dt/b2/b206662a/","Dalton Transactions","2003","","4","544","","10.1039/b206662a","","","0.71073","MoKα","","0.0721","0.0546","","","0.1496","0.1592","","","","","","1.097","","","","has coordinates","179824","2020-10-21","18:00:00",""
"7012006","15.4139","0.0017","17.417","0.002","14.6913","0.0016","90","","90","","90","","3944.1","0.8","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C32 H56 Al2 Mg O12 -","- C32 H56 Al2 Mg O12 -","- C128 H224 Al8 Mg4 O48 -","4","0.25","","Kessler, Vadim G.; Gohil, Suresh; Parola, Stephane","Interaction of some divalent metal acetylacetonates with Al, Ti, Nb and Ta isopropoxides. Factors influencing the formation and stability of heterometallic alkoxide complexesElectronic supplementary information (ESI) available: synthesis details for 5‒7; microanalysis data for 1‒9; tables of selected bond lengths and angles for 1‒5 and 7‒9; variable temperature 1H NMR spectra for 7 and 8; UV-Vis spectrum of 6 in toluene after various times. See http://www.rsc.org/suppdata/dt/b2/b206662a/","Dalton Transactions","2003","","4","544","","10.1039/b206662a","","","0.71073","MoKα","","0.062","0.042","","","0.1178","0.128","","","","","","1.118","","","","has coordinates","179824","2020-10-21","18:00:00",""
"7013392","11.081","0.0001","22.715","0.0003","13.847","0.0002","90","","90","","90","","3485.36","0.08","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C12 H16 N4 O4 S2 Zn -","- C12 H16 N4 O4 S2 Zn -","- C96 H128 N32 O32 S16 Zn8 -","8","0.5","","Burke, Nichola J.; Burrows, Andrew D.; Donovan, Adele S.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E.","Zinc dicarboxylate polymers and dimers: thiourea substitution as a tool in supramolecular synthesis","Dalton Transactions","2003","","20","3840","","10.1039/b307420j","","","0.71069","MoKα","","0.0311","0.0257","","","0.0622","0.0645","","","","","","1.09","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7015577","27.7908","0.0014","27.9903","0.0015","31.269","0.002","90","","90","","90","","24323","2","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C156 H338 Fe16 Gd4 N34 O104 -","- C144 H288 Fe16 Gd4 N24 O80 -","- C576 H1152 Fe64 Gd16 N96 O320 -","4","0.25","","Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.","Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4080","4086","10.1039/c0dt01742f","","","0.71073","MoKα","","0.0697","0.0505","","","0.1172","0.1212","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015578","27.7714","0.0011","28.0818","0.0011","30.6492","0.0013","90","","90","","90","","23902.4","1.7","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C156 H338 Dy4 Fe16 N34 O104 -","- C156 H288 Dy4 Fe16 N34 O104 -","- C624 H1152 Dy16 Fe64 N136 O416 -","4","0.25","","Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.","Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4080","4086","10.1039/c0dt01742f","","","0.71073","MoKα","","0.0598","0.0508","","","0.1713","0.1858","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015579","27.7369","0.0019","28.1589","0.0019","30.573","0.002","90","","90","","90","","23879","3","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C158 H341 Eu4 Fe16 N35 O104 -","- C158 H288 Eu4 Fe16 N35 O104 -","- C632 H1152 Eu16 Fe64 N140 O416 -","4","0.25","","Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.","Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4080","4086","10.1039/c0dt01742f","","","0.71073","MoKα","","0.0628","0.0496","","","0.15","0.1586","","","","","","1.201","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015894","11.8569","0.0007","14.6496","0.0006","16.7531","0.0011","90","","90","","90","","2910","0.3","200","2","200","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C30 H30 Br2 Cu N6 -","- C30 H30 Br2 Cu N6 -","- C120 H120 Br8 Cu4 N24 -","4","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.0765","0.0258","","","0.0508","0.0555","","","","","","0.825","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015895","11.9263","0.0006","14.989","0.0007","16.5703","0.0009","90","","90","","90","","2962.2","0.3","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C30 H30 Br Cu I N6 -","- C30 H30 Br Cu I N6 -","- C120 H120 Br4 Cu4 I4 N24 -","4","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.1134","0.0554","","","0.1011","0.1077","","","","","","1.216","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015896","12.6527","0.0006","15.3938","0.0005","16.3832","0.0007","90","","90","","90","","3191","0.2","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C31 H30 Cu I N7 S -","- C31 H30 Cu I N7 S -","- C124 H120 Cu4 I4 N28 S4 -","4","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.0966","0.082","","","0.1681","0.1723","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023038","14.3514","0.0003","21.4182","0.0003","15.7934","0.0003","90","","90","","90","","4854.59","0.15","173","2","173","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C24 H18 Cl2 Hg N2 O2 S2 -","- C24 H18 Cl2 Hg N2 O2 S2 -","- C192 H144 Cl16 Hg8 N16 O16 S16 -","8","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: p-H-thiacalix[4]arene pyridyl appended positional isomers as tectons for the formation of 1D and 2D mercury coordination networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9946","9953","10.1039/c3dt50577d","","","0.71073","MoKα","","0.0224","0.0163","","","0.0412","0.0439","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025497","16.524","0.003","23.805","0.004","14.728","0.003","90","","90","","90","","5793.3","1.9","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C72 H80 N4 Ni -","- C72 H80 N4 Ni -","- C288 H320 N16 Ni4 -","4","0.25","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and exchange reactions of Ni-dimine-COD, acetylene and olefin complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5786","5794","10.1039/c001312a","","","0.71073","MoKα","","0.0422","0.0314","","","0.0834","0.091","","","","","","1.077","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7101254","18.6363","0.0013","46.435","0.003","34.874","0.003","90","","90","","90","","30179","4","298","2","298","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H72 Cu12 N24 -","- C60 H72 Cu12 N24 -","- C960 H1152 Cu192 N384 -","16","1","","Jun He; Ye-Gao Yin; Tao Wu; Dan Li","Design and solvothermal synthesis of luminescent copper(I)-pyrazolate coordination oligomer and polymer frameworks","Chemical Communications","2006","","27","","","10.1039/b601009a","","","0.71073","MoKα","","0.0747","0.0487","","","0.1048","0.1181","","","","","","1.013","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7103907","11.8453","0.0003","14.2813","0.0003","16.8855","0.0005","90","","90","","90","","2856.46","0.13","180","2","180","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C30 H30 Cl2 Cu N6 -","- C30 H30 Cl2 Cu N6 -","- C120 H120 Cl8 Cu4 N24 -","4","0.25","","Bond, Andrew D.; Doyle, Emma L.; García, Felipe; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucía; Wright, Dominic S.","Exo-metal coordination by a tricyclic [{P(μ-N-2-NC5H4)}2(μ-O)]2 dimer in [{P(μ-N-2-NC5H4)}2(μ-O)]2{CuCl·(C5H5N)2}4 {2-NC5H4 = 2-pyridyl, C5H5N = pyridine)","Chemical Communications (Cambridge, United Kingdom)","2003","","24","2990","2991","10.1039/b309842g","","","0.71069","MoKα","","0.0886","0.0517","","","0.1185","0.1396","","","","","","1.055","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7105922","10.1","0.003","50.56","0.01","12.418","0.004","90","","90","","90","","6341","3","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C12 H20.64 Ge4 O8.3 Te5 -","- C12 H20 Ge4 O8.315 Te5 -","- C96 H160 Ge32 O66.52 Te40 -","8","0.5","","Heimann, Samuel; Holynska, Malgorzata; Dehnen, Stefanie","In situ Ge‒Ge bond formation under ambient conditions: synthesis, characterization and reactivity of organo-functionalized telluridogermanate complexes","Chemical Communications (Cambridge, United Kingdom)","2011","47","6","1881","1883","10.1039/c0cc03727c","","","0.71073","MoKα","","0.1265","0.0776","","","0.1565","0.1786","","","","","","1.005","","","","has coordinates,has disorder","210888","2020-10-21","18:00:00",""
"7107331","11.0651","0.0003","11.4212","0.0003","12.4657","0.0003","90","","90","","90","","1575.37","0.07","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- Cl16 Cu4 Ga4 P8 -","- Cl16 Cu4 Ga4 P8 -","- Cl32 Cu8 Ga8 P16 -","2","0.125","","Laura C. Forfar; Timothy J. Clark; Michael Green; Stephen M. Mansell; Christopher A. Russell; Rajashekharayya A. Sanguramath; John M. Slattery","White phosphorus as a ligand for the coinage metals","Chem.Commun.","2012","48","","1970","","10.1039/c2cc15291f","","","0.71073","MoKα","","0.0149","0.0142","","","0.0372","0.0376","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109301","15.803","0.003","27.09","0.005","23.606","0.005","90","","90","","90","","10106","3","193","2","193","2","","","","","","","","9","C c c a :2","-C 2a 2ac","68","","","","- C45 H56 B4 Cu12 I Mo4 N25 O S16 -","- C45 H56 B4 Cu12 I Mo4 N25 O S16 -","- C180 H224 B16 Cu48 I4 Mo16 N100 O4 S64 -","4","0.25","","Zhen-Hong Wei; Chun-Yan Ni; Hong-Xi Li; Zhi-Gang Ren; Zhen-Rong Sun; Jian-Ping Lang","[PyH][{TpMo(mu3-S)4Cu3}4(mu12-I)]: a unique tetracubane cluster derived from the S-S bond cleavage and the iodide template effects and its enhanced NLO performances","Chem.Commun.","2013","49","","4836","","10.1039/c3cc41280f","","","0.71073","MoKα","","0.0708","0.0654","","","0.1884","0.1924","","","","","","1.246","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110484","31.616","0.006","35.691","0.007","13.355","0.003","90","","90","","90","","15070","5","293","2","293","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C14.5 H33 Cl3 N14 O22 Pd1.25 Pt1.5 -","- C14.5 H26 Cl3 N14 O22 Pd1.25 Pt1.5 -","- C232 H416 Cl48 N224 O352 Pd20 Pt24 -","16","1","","Schnebeck, Ralf-Dieter; Freisinger, Eva; Lippert, Bernhard","Anion pore structure through packing of molecular triangles","Chemical Communications","1999","","8","675","","10.1039/a900964g","","","0.71069","MoKα","","0.1841","0.0613","","0.1635","0.1308","","","","0.834","1.177","1.177","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115198","12.156","0.002","18.891","0.003","17.584","0.003","90","","90","","90","","4038","1.2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 N5 Ni O7 -","- C17 H12 N5 Ni O7 -","- C136 H96 N40 Ni8 O56 -","8","0.5","","Kepert, Cameron J.; Rosseinsky, Matthew J.","Zeolite-like crystal structure of an empty microporous molecular framework","Chemical Communications","1999","","4","375","","10.1039/a809746a","","","1.5418","CuKα","","0.1728","0.0848","","0.2435","0.2028","","","","0.945","1.252","1.252","","","","","has coordinates,has disorder","180265","2020-10-21","18:00:00",""
"7115199","11.883","0.001","19.049","0.001","17.415","0.001","90","","90","","90","","3942","0.5","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 N5 Ni O6 -","- C15 H12 N5 Ni O6 -","- C120 H96 N40 Ni8 O48 -","8","0.5","","Kepert, Cameron J.; Rosseinsky, Matthew J.","Zeolite-like crystal structure of an empty microporous molecular framework","Chemical Communications","1999","","4","375","","10.1039/a809746a","","","0.71073","MoKα","","0.0819","0.0676","","0.221","0.2085","","","","1.105","1.211","1.211","","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7125163","18.67834","0.00016","21.44845","0.00018","21.13621","0.00017","90","","90","","90","","8467.62","0.12","120","2","120","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C52 H58 Mn O -","- C52 H58 Mn O -","- C416 H464 Mn8 O8 -","8","0.5","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0331","0.0301","","","0.0814","0.0839","","","","","","1.053","","","","has coordinates,has disorder","234567","2020-10-21","18:00:00",""
"7125395","22.375","0.002","23.965","0.002","27.502","0.003","90","","90","","90","","14747","2","175","2","175","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C320 H384 Cl48 Cu0 Fe56 N48 O120 -","- C320 H384 Cl48 Fe56 N48 O120 -","- C320 H384 Cl48 Fe56 N48 O120 -","1","0.0625","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.0423","0.0375","","","0.109","0.1114","","","","","","1.004","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125400","33.788","0.0002","23.8727","0.0001","44.3077","0.0002","90","","90","","90","","35739.1","0.3","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58.667 H61.333 Cu6 N12 O0.167 S3 -","- C58.6667 H61.3333 Cu6 N12 O0.166667 S3 -","- C1408 H1472 Cu144 N288 O4 S72 -","24","1.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.0806","0.0703","","","0.1881","0.2023","","","","","","1.018","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125401","33.7716","0.0002","71.5841","0.0003","44.3018","0.0002","90","","90","","90","","107100","0.9","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58.667 H61.333 Cu6 N12 O0.167 S3 -","- C58 H60 Cu6 N12 S3 -","- C4176 H4320 Cu432 N864 S216 -","72","4.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.2064","0.15","","","0.4155","0.4645","","","","","","3.001","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7128955","30.152","0.0005","39.3021","0.001","33.998","0.0006","90","","90","","90","","40288.9","1.4","140","0.1","140","0.1","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C176 H136 B9 F28 N16 Na Pd4 -","- C176 H136 B9 F28 N16 Na Pd4 -","- C1408 H1088 B72 F224 N128 Na8 Pd32 -","8","0.5","","Li, Ru-Jin; Marcus, Adam; Fadaei-Tirani, Farzaneh; Severin, Kay","Orientational self-sorting: formation of structurally defined Pd<sub>4</sub>L<sub>8</sub> and Pd<sub>6</sub>L<sub>12</sub> cages from low-symmetry dipyridyl ligands.","Chemical communications (Cambridge, England)","2021","57","78","10023","10026","10.1039/d1cc03828a","","x-ray","1.54184","CuKα","","0.128","0.0985","","","0.2831","0.3227","","","","","","1.032","","","","has coordinates,has disorder","269600","2021-10-06","13:41:09",""
"7200989","20.8119","0.0014","6.3402","0.0004","6.2134","0.0004","90","","90","","90","","819.87","0.09","293","2","293","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","tripotassium heptafuoro diargenate","tripotassium heptafuoro diargenate","","- Ag2 F7 K3 -","- Ag2 F7 K3 -","- Ag8 F28 K12 -","4","0.25","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","powder diffraction","","1.54178","CuKα","","0.1381","0.1381","","","0.1838","0.1838","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201298","9.588","0.001","26.647","0.003","14.405","0.002","90","","90","","90","","3680.4","0.8","298","2","298","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Cd N5 O6 -","- C16 H20 Cd N5 O6 -","- C128 H160 Cd8 N40 O48 -","8","0.5","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0839","0.0534","","","0.1161","0.1261","","","","","","1.162","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7202367","35.56","0.008","25.36","0.01","24.868","0.005","90","","90","","90","","22426","11","293","2","293","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C144 H168 Ag12 F36 N72 O14 Si6 -","- C144 H168 Ag12 F36 N72 O14 Si6 -","- C576 H672 Ag48 F144 N288 O56 Si24 -","4","0.25","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.2648","0.1471","","","0.3549","0.4502","","","","","","1.429","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203142","21.988","0.005","35.283","0.007","17.564","0.003","90","","90","","90","","13626","5","223","2","223","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C22 H36 N2 O4 P2 S6 Zn -","- C22 H36 N2 O4 P2 S6 Zn -","- C352 H576 N32 O64 P32 S96 Zn16 -","16","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.212","0.108","","","0.324","0.39","","","","","","1.14","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7206510","10.4135","0.0005","25.2037","0.0013","19.5818","0.0011","90","","90","","90","","5139.4","0.5","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C36 H64 Cu N10 O26 -","- C36 H62 Cu N10 O26 -","- C144 H248 Cu4 N40 O104 -","4","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0495","0.0372","","","0.0954","0.1028","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7208031","19.348","0.018","31.17","0.03","9.522","0.008","90","","90","","90","","5743","9","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C52 H54 Cd Cl2 N4 O23 -","- C52 H40 Cd Cl2 N4 O23 -","- C208 H160 Cd4 Cl8 N16 O92 -","4","0.25","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0923","0.0708","","","0.1794","0.1949","","","","","","1.089","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7212028","15.3104","0.0012","17.8384","0.0013","14.6419","0.0012","90","","90","","90","","3998.9","0.5","297","2","297","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Cl2 N4 O3 Zn -","- C16 H20 Cl2 N4 O3 Zn -","- C128 H160 Cl16 N32 O24 Zn8 -","8","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0353","0.0274","","","0.0814","0.0859","","","","","","1.21","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212029","15.3196","0.0016","18.1947","0.0013","14.8493","0.0013","90","","90","","90","","4139","0.6","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Br2 N4 O3 Zn -","- C16 H20 Br2 N4 O3 Zn -","- C128 H160 Br16 N32 O24 Zn8 -","8","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0722","0.0414","","","0.0881","0.101","","","","","","1.018","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7216221","13.4174","0.0006","18.1772","0.0007","22.334","0.0008","90","","90","","90","","5447.1","0.4","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H22 Fe K N4 O14 -","- C22 H22 Fe K N4 O14 -","- C176 H176 Fe8 K8 N32 O112 -","8","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.085","0.0449","","","0.09","0.1041","","","","","","1.043","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216425","13.177","0.008","15.668","0.008","28.949","0.015","90","","90","","90","","5977","6","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C31 H22 Co F6 N4 O5 -","- C31 H22 Co F6 N4 O5 -","- C248 H176 Co8 F48 N32 O40 -","8","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0868","0.0687","","","0.1361","0.1421","","","","","","1.266","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7223201","15.022","0.003","44.14","0.009","15.211","0.003","90","","90","","90","","10086","3","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","C c c a :2","-C 2a 2ac","68","xylene_pr_GCl","p-xylene with 6-Chloro-9-propyl-purin-2-amine","","- C24 H30 Cl2 N10 -","- C24 H30 Cl2 N10 -","- C384 H480 Cl32 N160 -","16","1","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71","synchrotron","","0.3296","0.2602","","","0.5974","0.6304","","","","","","2.24","","","","has coordinates,has disorder","208235","2020-10-21","18:00:00",""
"7229214","18.519","0.0003","25.5918","0.0005","17.2622","0.0003","90","","90","","90","","8181.2","0.3","123","2","123","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C88 H60 Cl8 N12 O1.44 Zn4 -","- C88 H60 Cl8 N12 O1.444 Zn4 -","- C352 H240 Cl32 N48 O5.776 Zn16 -","4","0.25","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54184","CuKα","","0.0342","0.0332","","","0.0928","0.0941","","","","","","1.047","","","","has coordinates,has disorder","201095","2020-10-21","18:00:00",""
"7233829","23.8655","0.001","34.2298","0.001","17.5645","0.0005","90","","90","","90","","14348.6","0.8","296","2","296","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C42 H30 F6 Ir N4 P -","- C42 H30 F6 Ir N4 P -","- C672 H480 F96 Ir16 N64 P16 -","16","1","","Gabriel E. Schneider; Antonio Pertegas; Edwin C. Constable; Catherine E. Housecroft; Nik Hostettler; Collin D. Morris; Jennifer A. Zampese; Henk J. Bolink; Jose M. Junquera-Hernandez; Enrique Orti; Michele Sessolo","Bright and stable light-emitting electrochemical cells based on an intramolecularly pi-stacked, 2-naphthyl-substituted iridium complex","Journal of Materials Chemistry C","2014","2","","7047","7055","10.1039/C4TC01171F","","","1.54178","CuKα","","0.0556","0.0439","","","0.1084","0.1222","","","","","","1.083","","","","has coordinates,has disorder","218259","2020-10-21","18:00:00",""
"7236170","11.8454","0.00014","28.3935","0.0003","34.5364","0.0003","90","","90","","90","","11615.7","0.2","291.57","0.1","291.57","0.1","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H50 N8 Ni5 O30 -","- C52 H50 N8 Ni5 O30 -","- C416 H400 N64 Ni40 O240 -","8","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0506","0.0486","","","0.1337","0.1355","","","","","","1.086","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236179","23.751","0.003","30.607","0.004","23.764","0.003","90","","90","","90","","17275","4","100","2","100","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C39 H35 Cd2 Cl5 Cr3 N7 O16 -","- C39 H31 Cd2 Cl5 Cr3 N7 O16 -","- C312 H248 Cd16 Cl40 Cr24 N56 O128 -","8","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.71073","MoKα","","0.1758","0.0939","","","0.2555","0.3387","","","","","","1.066","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7237074","14.142","0.0009","16.0637","0.001","19.8005","0.0013","90","","90","","90","","4498.1","0.5","297","2","297.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C224 H144 N32 O32 Zn8 -","8","0.5","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0462","0.0395","","","0.1026","0.108","","","","","","1.053","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7243837","19.5817","0.0002","19.58544","0.00006","12.02036","0.00006","90","","90","","90","","4610","0.05","300","","300","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","BTB-Pyram","","","- C21 O4 P -","- C21 O4 P -","- C168 O32 P8 -","8","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.12309","","","","","","0.12329","0.14659","0.4902","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243839","19.1921","0.0007","20.0035","0.0008","11.7616","0.0004","90","","90","","90","","4515.4","0.3","223","","223","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C42 H76 O8 P2 -","- C42 H76 O8 P2 -","- C168 H304 O32 P8 -","4","0.25","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","1.54184","CuKα","","0.0678","0.0507","","","0.1367","0.1489","","","","","","1.066","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7245233","17.6671","0.0006","19.4948","0.0006","15.545","0.0005","90","","90","","90","","5354","0.3","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C26 H22 N4 O8 Zn -","- C26 H22 N4 O8 Zn -","- C208 H176 N32 O64 Zn8 -","8","0.5","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0361","0.0289","","","0.0791","0.0842","","","","","","1.059","","","","has coordinates","277028","2022-08-01","22:35:40",""
"7247304","15.3926","0.0004","54.654","0.0013","16.2237","0.0004","90","","90","","90","","13648.5","0.6","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H37 Co N4 O8.5 -","- C34 H34 Co N4 O8.5 -","- C544 H544 Co16 N64 O136 -","16","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0903","0.0469","","","0.1148","0.1388","","","","","","1.009","","","","has coordinates,has disorder","287340","2023-11-06","07:25:50",""
"7701750","16.632","0.0009","22.3932","0.0009","14.7748","0.0008","90","","90","","90","","5502.8","0.5","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C28 H20 Mn N2 O14 -","- C28 H20 Mn N2 O14 -","- C224 H160 Mn8 N16 O112 -","8","0.5","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.071","0.0457","","","0.0925","0.1078","","","","","","1.048","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7702011","21.2184","0.0018","37.581","0.003","17.8803","0.0014","90","","90","","90","","14258","2","100","2","100","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","2c","","- C73 H74 Cl4 Fe N2 P2 Pt2 -","- C73 H74 Cl4 Fe N2 P2 Pt2 -","- C584 H592 Cl32 Fe8 N16 P16 Pt16 -","8","0.5","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F.","Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1969","1981","10.1039/c4dt02375g","","","0.71073","MoKα","","0.0495","0.0303","","","0.0575","0.0618","","","","","","1.08","","","","has coordinates","232792","2020-10-21","18:00:00",""
"7702133","15.6558","0.0005","25.4691","0.0008","16.3904","0.0005","90","","90","","90","","6535.5","0.4","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C20.5 H36 Cl4 Co2 O10 P2 -","- C20.5 H36 Cl4 Co2 O10 P2 -","- C164 H288 Cl32 Co16 O80 P16 -","8","0.5","","Zaręba, J K; Janczak, J.; Samoć, M; Nyk, M.","Spectrally-resolved third-harmonic generation and the fundamental role of O-HCl hydrogen bonding in O<sub>h</sub>, T<sub>d</sub>-cobalt(ii) tetraphenylmethane-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","29","9349","9357","10.1039/c7dt01518f","","","0.71073","MoKα","","0.0684","0.029","","","0.0567","0.0742","","","","","","1.028","","","","has coordinates","235636","2020-10-21","18:00:00",""
"7702191","14.5653","0.0003","21.0484","0.0005","23.914","0.0005","90","","90","","90","","7331.5","0.3","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H12 In N0 O10 S -","- C22 H12 In O10 S -","- C176 H96 In8 O80 S8 -","8","0.5","","Li, Yuan-Han; Wang, Sue-Lein; Su, Yu-Chia; Ko, Bao-Tsan; Tsai, Chen-Yen; Lin, Chia-Her","Microporous 2D indium metal-organic frameworks for selective CO<sub>2</sub> capture and their application in the catalytic CO<sub>2</sub>-cycloaddition of epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9474","9481","10.1039/c8dt01405a","","","0.71073","MoKα","","0.1408","0.0876","","","0.2662","0.2852","","","","","","1.025","","","","has coordinates","236841","2020-10-21","18:00:00",""
"7702192","15.0622","0.0004","20.9202","0.0006","23.4817","0.0007","90","","90","","90","","7399.2","0.4","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H12 In N O10 S -","- C22 H12 In N O10 S -","- C176 H96 In8 N8 O80 S8 -","8","0.5","","Li, Yuan-Han; Wang, Sue-Lein; Su, Yu-Chia; Ko, Bao-Tsan; Tsai, Chen-Yen; Lin, Chia-Her","Microporous 2D indium metal-organic frameworks for selective CO<sub>2</sub> capture and their application in the catalytic CO<sub>2</sub>-cycloaddition of epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9474","9481","10.1039/c8dt01405a","","","0.71073","MoKα","","0.1407","0.0501","","","0.1121","0.1449","","","","","","0.962","","","","has coordinates","236841","2020-10-21","18:00:00",""
"7702201","10.7985","0.0003","29.4144","0.0009","25.9424","0.0008","90","","90","","90","","8240.1","0.4","100","2","99.99","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C80 H72 Ag F6 N8 Sb -","- C80 H72 Ag F6 N8 Sb -","- C320 H288 Ag4 F24 N32 Sb4 -","4","0.25","","Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10080","10092","10.1039/c8dt01784k","","","1.54178","CuKα","","0.0915","0.0795","","","0.2415","0.2591","","","","","","1.043","","","","has coordinates","236845","2020-10-21","18:00:00",""
"7705081","11.5295","0.0015","26.953","0.004","5.8483","0.0008","90","","90","","90","","1817.4","0.4","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- Ag2 K2 S4 Sn -","- Ag2 K2 S4 Sn -","- Ag16 K16 S32 Sn8 -","8","0.5","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0654","0.0613","","","0.2299","0.2396","","","","","","1.222","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7705082","11.6787","0.0018","27.526","0.004","5.9472","0.0009","90","","90","","90","","1911.8","0.5","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- Ag8 Rb8 S16 Sn4 -","- Ag8 Rb8 S16 Sn4 -","- Ag16 Rb16 S32 Sn8 -","2","0.125","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0913","0.0799","","","0.183","0.2114","","","","","","1.011","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7705184","18.114","0.002","20.701","0.002","33.7","0.004","90","","90","","90","","12637","2","150","2","150","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H76 Fe N4 -","- C60 H76 Fe N4 -","- C480 H608 Fe8 N32 -","8","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1006","0.0549","","","0.134","0.1553","","","","","","1.01","","","","has coordinates","257555","2020-10-21","18:00:00",""
"7707176","13.5275","0.0006","28.0006","0.0013","27.7775","0.0016","90","","90","","90","","10521.5","0.9","90","2","90","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C42 H24 Fe N6 O4 S4 -","- C42 H24 Fe N6 O4 S4 -","- C336 H192 Fe8 N48 O32 S32 -","8","0.5","","Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake","Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7725","7735","10.1039/d1dt00212k","","","0.71073","MoKα","","0.0908","0.0552","","","0.1344","0.1534","","","","","","0.983","","","","has coordinates","267159","2021-07-05","17:34:18",""
"7707178","13.6023","0.0007","28.4252","0.0015","28.374","0.0013","90","","90","","90","","10970.8","1","200","2","200","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C42 H24 Fe N6 O4 S4 -","- C42 H24 Fe N6 O4 S4 -","- C336 H192 Fe8 N48 O32 S32 -","8","0.5","","Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake","Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7725","7735","10.1039/d1dt00212k","","","0.71073","MoKα","","0.1166","0.0643","","","0.1565","0.1833","","","","","","0.958","","","","has coordinates","267159","2021-07-05","17:34:18",""
"7711083","15.8987","0.0011","24.7403","0.0011","16.4218","0.0008","90","","90","","90","","6459.3","0.6","100","","100.01","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","TP33","","- C32 H26 Cu F6 N4 O5 P S -","- C32 H26 Cu F6 N4 O5 P S -","- C256 H208 Cu8 F48 N32 O40 P8 S8 -","8","0.5","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","x-ray","1.54178","CuKα","","0.0629","0.0538","","","0.136","0.1432","","","","","","1.088","","","","has coordinates,has disorder","277448","2022-08-29","23:16:50",""
"8000236","26.4855","0.0012","34.211","0.002","21.8681","0.001","90","","90","","90","","19814.6","1.7","240","2","240","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Au28(SR)20","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C480 H880 Au112 S80 -","4","0.25","","Higaki, Tatsuya; Liu, Chong; Chen, Yuxiang; Zhao, Shuo; Zeng, Chenjie; Jin, Renxi; Wang, Shuxin; Rosi, Nathaniel L.; Jin, Rongchao","Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16](-) to [Au28(SR)20](0).","The journal of physical chemistry letters","2017","8","4","866","870","10.1021/acs.jpclett.6b03061","","","1.54178","CuKα","","0.2558","0.1684","","","0.3882","0.4629","","","","","","1.529","","","","has coordinates","211175","2020-10-21","18:00:00",""
"9000832","13.714","","20.079","","5.105","","90","","90","","90","","1405.73","","","","","","","","","","","","southeast Sfinari, West Crete","6","C c c a :2","-C 2a 2ac","68","","","Magnesiocarpholite","- Al2 Fe0.204 H4 Mg0.796 O10 Si2 -","- Al2 Fe0.204 H4 Mg0.796 O10 Si2 -","- Al16 Fe1.632 H32 Mg6.368 O80 Si16 -","8","0.5","","Viswanathan, K.","The crystal structure of a Mg-rich carpholite","American Mineralogist","1981","66","","1080","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:16",""
"9005483","13.716","","20.084","","5.11","","90","","90","","90","","1407.66","","","","","","","","","","","","Monte Argentario","8","C c c a :2","-C 2a 2ac","68","","","Magnesiocarpholite","- Al3.94 F0.304 Fe0.7 H7.896 K0.004 Mg1.3 O19.896 Si4 -","- Al3.94 F0.304 Fe0.7 H7.896 K0.004 Mg1.3 O19.896 Si4 -","- Al15.76 F1.216 Fe2.8 H31.584 K0.016 Mg5.2 O79.584 Si16 -","4","0.25","","Fuchs, Y.; Mellini, M.; Memmi, I.","Crystal-chemistry of magnesiocarpholite: controversial X-ray diffraction, Mossbauer, FTIR and Raman results","European Journal of Mineralogy","2001","13","","533","543","10.1127/0935-1221/2001/0013-0533","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005484","13.726","","20.099","","5.112","","90","","90","","90","","1410.29","","","","","","","","","","","","Monte Leoni","8","C c c a :2","-C 2a 2ac","68","","","Magnesiocarpholite","- Al3.96 F0.24 Fe0.7 H7.92 K0.004 Mg1.3 O19.92 Si4 -","- Al3.96 F0.24 Fe0.7 H7.92 K0.004 Mg1.3 O19.92 Si4 -","- Al15.84 F0.96 Fe2.8 H31.68 K0.016 Mg5.2 O79.68 Si16 -","4","0.25","","Fuchs, Y.; Mellini, M.; Memmi, I.","Crystal-chemistry of magnesiocarpholite: controversial X-ray diffraction, Mossbauer, FTIR and Raman results","European Journal of Mineralogy","2001","13","","533","543","10.1127/0935-1221/2001/0013-0533","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005714","13.84","","20.452","","5.143","","90","","90","","90","","1455.76","","","","","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","Carpholite","- Al3.02 H8 K0.012 Mg0.26 Mn1.74 O20 Si4 V0.98 -","- Al3.02 H8 K0.012 Mg0.26 Mn1.74 O20 Si4 V0.98 -","- Al12.08 H32 K0.048 Mg1.04 Mn6.96 O80 Si16 V3.92 -","4","0.25","","Basso, R.; Cabella, R.; Lucchetti, G.; Martinelli, A.; Palenzona, A.","Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral from the Molinello mine, northern Apennines, Italy Note: sample VrC Locality: Molinello mine, northern Apennines, Italy","European Journal of Mineralogy","2005","17","","501","507","10.1127/0935-1221/2005/0017-0501","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005715","13.83","","20.681","","5.188","","90","","90","","90","","1483.86","","","","","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","Vanadiocarpholite","- Al2.02 H8 K0.168 Mg0.16 Mn1.84 O20 Si4 V1.98 -","- Al2.02 H8 K0.168 Mg0.16 Mn1.84 O20 Si4 V1.98 -","- Al8.08 H32 K0.672 Mg0.64 Mn7.36 O80 Si16 V7.92 -","4","0.25","","Basso, R.; Cabella, R.; Lucchetti, G.; Martinelli, A.; Palenzona, A.","Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral from the Molinello mine, northern Apennines, Italy Note: sample VC Locality: Molinello mine, northern Apennines, Italy","European Journal of Mineralogy","2005","17","","501","507","10.1127/0935-1221/2005/0017-0501","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007859","19.529","","29.559","","16.446","","90","","90","","90","","9493.58","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C18 H24 V -","- C18 H24 V -","- C432 H576 V24 -","24","1.5","","Braga, D.; Sabatino, P.","Bis(arene)vanadium complexes. A structural study Sample: 1","Acta Crystallographica, Section C","1990","46","","2308","2312","10.1107/S0108270190006539","","","","","","","","","","","","","","","","","","","","","has coordinates","198624","2020-10-21","18:00:00",""
"9009290","13.718","","20.216","","5.132","","90","","90","","90","","1423.22","","","","","","","","","","","","Schlaggenwald, Bohemia","5","C c c a :2","-C 2a 2ac","68","","","Carpholite","- Al2 H4 Mn O10 Si2 -","- Al2 H2 Mn O10 Si2 -","- Al16 H16 Mn8 O80 Si16 -","8","0.5","","Lindemann, W.; Wogerbauer, R.; Berger, P.","Die kristallstruktur von karpholith (Mn0.97Mg0.08FeII0.07)(Al1.90FeIII0.01)Si2O6(OH)4","Neues Jahrbuch fur Mineralogie, Monatshefte","1979","1979","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:22",""
"9009381","13.797","","20.2","","5.116","","90","","90","","90","","1425.83","","","","","","","","","","","","Mascate nappes, Ruwi, Oman","6","C c c a :2","-C 2a 2ac","68","","","Ferrocarpholite","- Al2 Fe0.76 H4 Mg0.24 O10 Si2 -","- Al2 Fe0.76 H4 Mg0.24 O10 Si2 -","- Al16 Fe6.08 H32 Mg1.92 O80 Si16 -","8","0.5","","Ferraris, G.; Ivaldi, G.; Goffe, B.","Structural study of a magnesian ferrocarpholite: Are carpholites monoclinic?","Neues Jahrbuch fur Mineralogie, Monatshefte","1992","1992","","337","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:26",""
"9009988","13.587","","20.164","","5.144","","90","","90","","90","","1409.29","","","","","","","","","","","","Hunan Province, China","8","C c c a :2","-C 2a 2ac","68","","","Balipholite","- Al3 Ba F4 H4 Li Mg2 O16 Si4 -","- Al3 Ba F4 H4 Li Mg2 O16 Si4 -","- Al12 Ba4 F16 H16 Li4 Mg8 O64 Si16 -","4","0.25","","Peng, Z.; Ma, Z.; Han, S.","The refinement of crystal structure of balipholite","Scientia Sinica B","1987","30","","779","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9014157","13.831","","20.296","","5.121","","90","","90","","90","","1437.54","","","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","Carpholite","- Al2 H4 Mn O10 Si2 -","- Al2 H4 Mn O10 Si2 -","- Al16 H32 Mn8 O80 Si16 -","8","0.5","","Naumova, I. S.; Pobedimskaya, E. A.; Belov, N. V.","Crystal structure of carpholite MnAl2(Si2O6)(OH)4","Kristallografiya","1974","19","","1155","1160","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015634","13.715","","20.302","","5.138","","90","","90","","90","","1430.64","","","","","","","","","","","","Sawtooth batholith, Idaho, USA","8","C c c a :2","-C 2a 2ac","68","","","Carpholite","- Al4 F4 H4 K0.65 Li0.672 Mn1.35 O16 Si4 -","- Al4 F4 H4 K0.65 Li0.672 Mn1.35 O16 Si4 -","- Al16 F16 H16 K2.6 Li2.688 Mn5.4 O64 Si16 -","4","0.25","","Ghose, S.; Sen Gupta, P. K.; Boggs, R. C.; Schlemper, E. O.","Crystal chemistry of a nonstoichiometric carpholite, Kx(Mn2-x,Lix)Al4Si4O12(OH)4F4: A chain silicate related to pyroxenes","American Mineralogist","1989","74","","1084","1090","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016351","13.6","","20.24","","5.16","","90","","90","","90","","1420.36","","","","","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","Balipholite","- Al3 Ba F3.36 H4.64 Li Mg2 O16.64 Si4 -","- Al3 Ba F3.36 H4.64 Li Mg2 O16.64 Si4 -","- Al12 Ba4 F13.44 H18.56 Li4 Mg8 O66.56 Si16 -","4","0.25","","X-ray Laboratory, Wuhan Geologic College; Geology Laboratory, Hunan Geology Bureau; Geology Team 654, Hunan Geology Bureau","Balipholite BaMg2LiAl3[Si2O6]2(OH,F)8 and its crystal structure","Scientia Geologica Sinica","1977","12","1","65","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","294123","2024-08-15","06:28:42",""