# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-12T07:42:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 21/m 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000139","10.0626","0.0006","5.807","0.0001","4.9788","0.0003","90","","103.359","0.007","90","","283.1","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Barium gallium pentafluoride dihydrate","","- Ba F5 Ga H4 O2 -","- Ba F5 Ga H4 O2 -","- Ba2 F10 Ga2 H8 O4 -","2","0.5","","Jouanneaux, A; Le Bail, A","Structure of Ba Ga F5 . 2(H2 O) from conventional and synchrotron powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","925","936","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000146","12.046","0.006","6.984","0.004","7.093","0.004","90","","125.04","0.04","90","","488.6","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dirubidium sodium tris(tetrafluoroaluminate)","","- Al3 F12 Na Rb2 -","- Al3 F12 Na Rb2 -","- Al6 F24 Na2 Rb4 -","2","0.5","","Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J.","Structure determination of A2 Na Al3 F12 (A= K, Rb)","Materials Research Bulletin","1990","25","","831","839","10.1016/0025-5408(90)90059-B","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000147","11.882","0.007","6.983","0.004","6.942","0.004","90","","125.59","0.03","90","","670.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dipotassium sodium tris(tetrafluoroaluminate)","","- Al3 F12 K2 Na -","- Al3 F12 K2 Na -","- Al6 F24 K4 Na2 -","2","0.5","","Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J.","Structure determination of A2 Na Al3 F12 (A= K, Rb)","Materials Research Bulletin","1990","25","","831","839","10.1016/0025-5408(90)90059-B","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000208","7.3403","0.0002","7.237","0.0002","6.407","0.0002","90","","106.801","0.004","90","","325.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Potassium tetrafluoroaluminate - low temperature","","- Al F4 K -","- Al F4 K -","- Al4 F16 K4 -","4","1","","Launay, J M; Bulou, A; Hewat, A W; Gibaud, A; Laval, J Y; Nouet, J","Shear transformation in the layered compound K Al F~4~: low temperature phase structure and transformation mechanism","Journal de Physique (Paris)","1985","46","","771","782","10.1051/jphys:01985004605077100","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000253","7.444","0.001","6.658","0.001","7.759","0.001","90","","93.57","0.01","90","","383.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Tricopper oxide heptaoxodivanadate hydrate","","- Cu3 H2 O9 V2 -","- Cu3 H3 O9 V2 -","- Cu6 H6 O18 V4 -","2","0.5","","Leblanc, M; Ferey, G","Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu~3~ V~2~ O~8~ (H~2~ O) and Cu V~2~ O~6~ (H2 O)2","Acta Crystallographica C (39,1983-)","1990","46","","15","18","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000255","7.78","0.002","8.423","0.003","4.993","0.001","90","","96.48","0.02","90","","325.1","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Thallium octaoxotrivanadate","","- O8 Tl V3 -","- O8 Tl V3 -","- O16 Tl2 V6 -","2","0.5","","Benchrifa, R; Leblanc, M; De Pape, R","Structure of the trivanadate Tl V~3~ O~8~","Acta Crystallographica C (39,1983-)","1990","46","","177","179","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000320","13.365","0.003","5.097","0.001","6.638","0.001","90","","106.45","0.02","90","","433.7","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium cerium tris(carbonate) fluoride","","- C3 Ba2 Ce F O9 -","- C3 Ba2 Ce F O9 -","- C6 Ba4 Ce2 F2 O18 -","2","0.5","","Mercier, N; Leblanc, M","Crystal growth and structures of rare earth fluorocarbonates: I. Structures of BaSm(CO~3~)~2~F and Ba~3~La~2~(CO~3~)~5~F~2~: revision of the corresponding huanghoite and cebaite type structures","European Journal of Solid State Inorganic Chemistry","1993","30","","195","205","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1000389","7.7","0.002","5.801","0.002","8.939","0.002","90","","106.85","0.02","90","","382.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochlorodizincate","","- Ba2 Cl F7 Zn2 -","- Ba2 Cl F7 Zn2 -","- Ba4 Cl2 F14 Zn4 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000390","7.692","0.003","5.783","0.002","8.945","0.002","90","","106.88","0.02","90","","380.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochlorodicobaltate","","- Ba2 Cl Co2 F7 -","- Ba2 Cl Co2 F7 -","- Ba4 Cl2 Co4 F14 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000391","7.766","0.003","5.844","0.001","8.932","0.004","90","","106.64","0.01","90","","388.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochloromanganoniccolate","","- Ba2 Cl F7 Mn Ni -","- Ba2 Cl F7 Mn Ni -","- Ba4 Cl2 F14 Mn2 Ni2 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000447","7.602","0.001","5.766","0.001","8.788","0.001","90","","106.72","0.01","90","","368.9","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium dinickel heptafluoride chloride","","- Ba2 Cl F7 Ni2 -","- Ba2 Cl F7 Ni2 -","- Ba4 Cl2 F14 Ni4 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000448","7.746","0.001","5.82","0.001","8.898","0.001","90","","106.63","0.01","90","","384.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium manganese nickel heptafluoride chloride","","- Ba2 Cl F7 Mn Ni -","- Ba2 Cl F7 Mn Ni -","- Ba4 Cl2 F14 Mn2 Ni2 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000449","7.749","0.001","5.771","0.001","8.95","0.001","90","","106.8","0.01","90","","383.2","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium iron cobalt heptafluoride chloride","","- Ba2 Cl Co F7 Fe -","- Ba2 Cl Co F7 Fe -","- Ba4 Cl2 Co2 F14 Fe2 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000477","13.365","0.003","5.097","0.001","6.638","0.001","90","","106.45","0.02","90","","433.7","","","","","","","","","","","","synthetic 993 K, 200 MPa for 24 H","5","P 1 21/m 1","-P 2yb","11","","Dibarium cerium tricarbonate fluoride","Zhonghuacerite (Ce)","- C3 Ba2 Ce F O9 -","- C3 Ba2 Ce F O9 -","- C6 Ba4 Ce2 F2 O18 -","2","0.5","","Mercier, N; Leblanc, M","Crystal growth and structures of rare earth fluorocarbonates: II. Structures of zhonghuacerite Ba2 Ce (C O3)3 F. Correlations between huanghoite, cebaite and zhonghuacerite type structures","European Journal of Solid State Inorganic Chemistry","1993","30","","207","216","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1000478","6.133","0.003","7.475","0.004","6.142","0.003","90","","97.17","0.02","90","","279.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dipotassium pentafluoroaluminate hydrate","","- Al F5 H2 K2 O -","- Al F5 H2 K2 O -","- Al2 F10 H4 K4 O2 -","2","0.5","","de Kozak, A; Gredin, P; Pierrard, A; Renaudin, J","The crystal structure of a new form of the dipotassium pentafluoroaluminate hydrate, K2 Al F5 . (H2 O), and of its dehydrate, K2 Al F5","Journal of Fluorine Chemistry","1996","77","","39","44","10.1016/0022-1139(95)03377-7","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001233","6.6702","0.0005","5.3228","0.0008","8.9091","0.0008","90","","100.546","0.007","90","","311","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Potassium phosphorus tungsten oxide (.4/2/4/16)","","- K0.4 O16 P2 W4 -","- K0.42 O16 P2 W4 -","- K0.42 O16 P2 W4 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P; Raveau, B","K~x~ P~2~ W~2~ O~16~: A Bronze with a Tunnel Structure Built up from P O~4~ Tetrahedra and W O~6~ Octahedra","Journal of Solid State Chemistry","1982","44","","407","414","10.1016/0022-4596(82)90389-9","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001530","4.7598","0.0007","6.3493","0.0007","17.7599","0.0024","90","","97.39","0.05","90","","532.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Titanium(III) phosphate","","- O4 P Ti -","- O4 P Ti -","- O32 P8 Ti8 -","8","2","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B","TiPO~4~, a titanium orthophosphate with a CrVO~4~ sublattice","European Journal of Solid State Inorganic Chemistry","1991","28","","1323","1333","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001598","8.174","0.001","6.392","0.001","10.55","0.001","90","","111.66","0.01","90","","512.3","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Silver phyllo-molybdophosphate *","","- Ag Mo3 O14 P2 -","- Ag Mo3 O14 P2 -","- Ag2 Mo6 O28 P4 -","2","0.5","","Borel, M M; Guesdon, A; Leclaire, A; Grandin, A; Raveau, B","New mixed-valent molybdenum monophosphates with the KMo~3~P~2~O~14~ structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","569","573","10.1002/zaac.19946200331","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001599","8.288","0.001","6.43","0.001","10.648","0.003","90","","112.83","0.02","90","","523","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Strontium phyllo-molybdophosphate *","","- Mo3 O14 P2 Sr -","- Mo3 O14 P2 Sr -","- Mo6 O28 P4 Sr2 -","2","0.5","","Borel, M M; Guesdon, A; Leclaire, A; Grandin, A; Raveau, B","New mixed-valent molybdenum monophosphates with the KMo~3~P~2~O~14~ structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","569","573","10.1002/zaac.19946200331","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001620","8.599","0.002","6.392","0.001","10.602","0.002","90","","111.65","0.02","90","","541.6","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Potassium phyllo-molybdophosphate *","","- K Mo3 O14 P2 -","- K Mo3 O14 P2 -","- K2 Mo6 O28 P4 -","2","0.5","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","A mixed-valent molybdenum monophosphate with a layer structure: KMo~3~P~2~O~14~","Journal of Solid State Chemistry","1994","109","","145","151","10.1006/jssc.1994.1084","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001715","7.2","0.001","6.369","0.001","9.123","0.001","90","","106.29","0.01","90","","401.6","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sodium molybdenum tungsten oxide phosphate (0.75/1.17/0.83/3/2)","","- Mo1.17 Na0.75 O11 P2 W0.83 -","- Mo1.17 Na0.75 O11 P2 W0.83 -","- Mo2.34 Na1.5 O22 P4 W1.66 -","2","0.5","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A mixed-valent molybdenotungsten monophosphate with a tunnel structure : Nax (Mo, W)2 O3 (P O4)2","Journal of Solid State Chemistry","1995","120","","353","357","10.1006/jssc.1995.1419","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001739","5.4881","0.0001","7.6337","0.0001","5.3968","0.0001","90","","90.2","","90","","226.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Neodymium calcium manganese oxide (0.7/0.3/1/3)","","- Ca0.3 Mn Nd0.7 O3 -","- Ca0.3 Mn Nd0.7 O3 -","- Ca1.2 Mn4 Nd2.8 O12 -","4","1","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001754","7.735","0.001","12.655","0.001","8.324","0.001","90","","105.97","0.01","90","","783.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Lithium molybdenum tungsten oxide phosphate (0.5/1/1/3/2)","","- Li0.5 Mo O11 P2 W -","- Li0.5 Mo0.9995 O11 P2 W1.0005 -","- Li2 Mo3.998 O44 P8 W4.002 -","4","1","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten monophosphate Li0.5 Mo W O3 (P O4)2","Materials Research Bulletin","1996","31","10","1257","1262","10.1016/0025-5408(96)00116-X","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001804","7.827","0.001","12.538","0.001","7.833","0.001","90","","92.36","0.01","90","","768","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Molybdenum tungsten oxide phosphate(V) (1.04/0.96/3/2)","","- Mo1.04 O11 P2 W0.96 -","- Mo1.04 O11 P2 W0.96 -","- Mo4.16 O44 P8 W3.84 -","4","1","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","The molybdenotungsten monophosphate Mo W O3 (P O4)2 : an original three- dimensional framework built up of ""M P O8"" chains (M = Mo, W)","Journal of Solid State Chemistry","1997","128","","191","196","10.1006/jssc.1996.7182","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001833","6.758","0.001","6.339","0.001","7.054","0.001","90","","110.13","0.01","90","","283.7","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Molybdenum dioxide hydroxotrioxophosphate(V) hydrate","","- H3 Mo O7 P -","- H3 Mo O7 P -","- H6 Mo2 O14 P2 -","2","0.5","","Biot, C; Leclaire, A; Borel, M M; Raveau, B","Revised crystal structure of molybdenum hydroxymonophosphate, (Mo O2) . (H2 O) . (P (O3 O H))","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","792","794","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004024","6.3245","0.0001","7.5422","0.0001","11.0095","0.0002","90","","90.12","0.02","90","","525.2","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Diammonium oxotetrafluorotitanate","","- F4 H8 N2 O Ti -","- F4 H13 N2 O Ti -","- F16 H52 N8 O4 Ti4 -","4","1","","Patarin, J; Marcuccilli-Hoffner, F; Kessler, H; Daniels, P","Synthesis and structure determination of (N H4)2 Ti F4 O","European Journal of Solid State Inorganic Chemistry","1994","31","","501","511","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004116","9.302","0.001","5.969","0.001","8.118","0.001","90","","113.96","0.01","90","","411.9","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Dibarium oxovanadium(IV) bis(vanadate(V))","","- Ba2 O9 V3 -","- Ba2 O9 V3 -","- Ba4 O18 V6 -","2","0.5","","Dhaussy, A-C; Abraham, F; Mentre, O; Steinfink, H","Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV) vanadate containing rutile-like chains of V O6 octahedra","Journal of Solid State Chemistry","1996","126","","328","335","10.1006/jssc.1996.0345","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004148","15.478","0.01","7.288","0.005","10.123","0.006","90","","109.29","0.01","90","","1077.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Lead vanadium oxide (0.3/2/5) - $-beta","","- O5 Pb0.304 V2 -","- O5 Pb0.304 V2 -","- O60 Pb3.648 V24 -","12","3","","Mentre, O; Huve, M; Abraham, F","Bidimensional cationic ordering and thermal dependence in $-beta- Pb(x) V2 O5 bronzes","Journal of Solid State Chemistry","1999","145","","186","196","10.1006/jssc.1999.8241","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004152","11.671","0.002","5.463","0.001","14.792","0.003","90","","93.67","0.01","90","","941.2","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Bismuth vanadium chloride oxide","","- Bi9 Cl O18 V2 -","- Bi9 Cl O18 V2 -","- Bi18 Cl2 O36 V4 -","2","0.5","","Mentre, O; Abraham, F","Synthesis, crystal structure, infrared characterization, and electrical properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1)","Journal of Solid State Chemistry","1998","136","","34","45","10.1006/jssc.1997.7644","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005007","7.436","0.001","3.638","0.001","10.008","0.001","90","","109.17","0.01","90","","255.7","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tantalum iron telluride (1/1.3/3)","","- Fe1.25 Ta Te3 -","- Fe1.25 Ta Te3 -","- Fe2.5 Ta2 Te6 -","2","0.5","","Badding, M E; Li, J; DiSalvo, F J; Zhou, W; Edwards, P P","Characterization of TaFe~1.25~Te~3~, a new layered telluride with an unusual metal network structure","Journal of Solid State Chemistry","1992","100","","313","324","10.1016/0022-4596(92)90106-6","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005027","9.032","0.002","3.883","0.001","9.648","0.002","90","","112.42","0.03","90","","312.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tristrontium germanide dinitridogermanate","","- Ge2 N2 Sr3 -","- Ge2 N2 Sr3 -","- Ge4 N4 Sr6 -","2","0.5","","Clarke, S J; Kowach, G R; DiSalvo, F J","Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2","Inorganic Chemistry","1996","35","","7009","7012","10.1021/ic960518x","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005031","9.6196","0.0006","4.0466","0.0002","10.1337","0.0005","90","","113.553","0.004","90","","361.6","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tribarium digermanium dinitride","","- Ba3 Ge2 N2 -","- Ba3 Ge2 N2 -","- Ba6 Ge4 N4 -","2","0.5","","Yamane, H; DiSalvo, F J","A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-) and (Ge N2)(4-) anions","Journal of Alloys Compd.","1996","241","","69","74","10.1016/0925-8388(96)02326-2","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005040","7.249","0.001","4.21","0.001","9.314","0.001","90","","108.87","0.01","90","","269","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium germanide nitridogallate","","- Ba2 Ga Ge N -","- Ba2 Ga Ge N -","- Ba4 Ga2 Ge2 N2 -","2","0.5","","Clarke, S J; DiSalvo, F J","Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7","Journal of Alloys Compd.","1997","259","","158","162","10.1016/S0925-8388(97)00095-9","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005041","9.5109","0.0009","4.0201","0.0003","10.0412","0.0009","90","","113.06","0.01","90","","353.2","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Barium strontium germanide dinitridogermanate (2.35/0.65/1/1)","","- Ba2.35 Ge2 N2 Sr0.65 -","- Ba2.35 Ge2 N2 Sr0.65 -","- Ba4.7 Ge4 N4 Sr1.3 -","2","0.5","","Clarke, S J; DiSalvo, F J","Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7","Journal of Alloys Compd.","1997","259","","158","162","10.1016/S0925-8388(97)00095-9","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005057","6.717","0.002","5.064","0.002","6.72","0.003","90","","78.88","0.03","90","","224.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Calcium vanadium nitride (3/1/3)","","- Ca3 N3 V -","- Ca3 N3 V -","- Ca6 N6 V2 -","2","0.5","","Vennos, D A; DiSalvo, F J","Synthesis and characterization of a new ternary nitride, Ca3 V N3","Journal of Solid State Chemistry","1992","98","","318","322","10.1016/S0022-4596(05)80240-3","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007035","4.852","0.004","9.553","0.008","3.255","0.004","90","","91.96","","90","","150.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Silver carbonate","","- C Ag2 O3 -","- C Ag2 O3 -","- C2 Ag4 O6 -","2","0.5","","Masse, R; Guitel, J C; Durif, A","Structure du carbonate d'argent","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1428","1429","10.1107/S0567740879006592","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1007140","9.591","0.006","13.163","0.009","8.367","0.005","90","","106.27","0.05","90","","1014","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","TELLURIUM(VI) HYDROXIDE TETRACAESIUM HYDROGENPHOSPHATE BIS(DIHYDROGENPHOSPHATE)","","- Cs4 H11 O18 P3 Te -","- Cs4 H17 O18 P3 Te -","- Cs8 H34 O36 P6 Te2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structures of two cesium phosphate-tellurates: (Te(O H)~6~) (Cs~2~ H P O~4~) and (Te(O H)~6~) (Cs~2~ H P O~4~) (Cs H~2~ P O~4~)~2~","Materials Research Bulletin","1980","15","","387","395","10.1016/0025-5408(80)90183-X","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007149","4.871","0.003","7.073","0.003","4.709","0.003","90","","96.24","0.08","90","","161.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Bismut phosphate - high-temperature phase","","- Bi O4 P -","- Bi O4 P -","- Bi2 O8 P2 -","2","0.5","","Masse, R; Durif, A","Etude structurale de la forme haute temperature du monophosphate de bismuth Bi P O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1985","300","","849","851","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008952","9.974","0.001","3.476","0.002","15.592","0.002","90","","109.4","0.1","90","","509.9","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium selenide (1/3)","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","van Smaalen, S; de Boer, J L; Meetsma, A; Graafsma, H; Sheu, H-S; Darovskikh, A; Coppens, P; Levy, F","Determination of the structural distortions corresponding to the q1- and q2- -type modulations in niobium triselenide Nb Se3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","6","3103","3106","10.1103/PhysRevB.45.3103","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009037","10.009","0.001","3.4805","0.0006","15.629","0.002","90","","109.47","0.01","90","","513.3","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium selenide (1/3)","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P","Charge density waves in Nb Se3 at 145 K: Crystal structures x-ray and electron diffraction studies","Journal of Physics C","1978","11","","4117","4134","10.1088/0022-3719/11/20/009","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009061","9.984","0.002","3.4831","0.0008","15.591","0.003","90","","109.47","0.02","90","","511.2","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium(VI) selenide","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P","Charge density waves in Nb Se3 at 145 K: Crystal structures X-Ray and electron diffraction studies","Journal of Physics C","1978","11","","4117","4134","10.1088/0022-3719/11/20/009","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010524","6.95","","6.19","","7.55","","90","","102.68","","90","","316.9","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Potassium pentaoxoduo-disulfate(IV)","","- K2 O5 S2 -","- K2 O5 S2 -","- K4 O10 S4 -","2","0.5","","Zachariasen, W H","The Crystal Lattice of Potassium Pyrosulphite,K~2~ S~2~ O~5~ and the Structure of the Pyrosulphite Group","Physical Review (1,1893-132,1963/141,1966-188,1969)","1932","40","","923","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010744","22.69","0.03","8.29","0.02","7.86","0.01","90","","96.75","0.5","90","","1468.2","","","","","","","","","","","","from Binnenthal, Switzerland","3","P 1 21/m 1","-P 2yb","11","","Trilead hexaarsenic sulfide","Dufrenoysite","- As4 Pb3 S9 -","","","4","1","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010754","8.89","0.03","31.65","0.03","8.4","0.02","90","","118.35","0.5","90","","2080","","","","","","","","","","","","from Binnenthal, Switzerland","3","P 1 21/m 1","-P 2yb","11","","Lead arsenic sulfide (27/14/48)","Dufrenoysite","- As14 Pb27 S48 -","","","1","0.25","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010811","4.28","","14.43","","9.68","","90","","108.38","0.02","90","","567.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Potassium copper bromide","","- Br3 Cu K -","","","4","1","","Silberstein, A","Etude cristallographique du bromure double de cuivre et de potassium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1939","209","","540","542","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1100194","8.3847","0.0002","6.8914","0.0004","14.8257","0.0004","90","","98.28","0.003","90","","847.734","","","","223","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Adamantyl)-7-nitrofluorene","","- C23 H23 N O2 -","- C29 H37 N O2 -","- C58 H74 N2 O4 -","2","0.5","","K.Harms; M.Marsch","","Private Communication","2000","","","","","","","","","","","","5.82","","","5.82","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100782","14.866","0.004","28.12","0.007","17.752","0.005","90","","118.873","0.003","90","","6498","3","153.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C113 H146 Ag4 Cl2 N12 -","- C113 H146 Ag4 Cl2 N12 -","- C226 H292 Ag8 Cl4 N24 -","2","0.5","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.05","","","","0.052","","","","","","1.065","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100910","7.496","0.001","6.308","0.001","10.125","0.002","90","","100.11","0.01","90","","471.32","0.13","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Bismuth(V)iron(III) oxophosphate","Bismuth(V) iron(III) tris(phosphate) oxide","","- Bi0.4 Fe3 O13 P3 -","- Bi0.4 Fe3 O13 P3 -","- Bi0.8 Fe6 O26 P6 -","2","0.5","","Benabad, Aicha; Bakhous, Karima; Cherkaoui, Fatima; Holt, Elizabeth M.","Bismuth(V) iron(III) tris(phosphate) oxide","Acta Crystallographica, Section C","2000","56","","1292","1293","10.1107/S010827010000977X","","","0.71073","MoKα","","0.099","0.058","","","","0.128","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100936","7.285","0.003","10.067","0.004","8.103","0.002","90","","112.21","0.02","90","","550.2","0.3","293","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H16 N P Si -","- C7 H16 N P Si -","- C14 H32 N2 P2 Si2 -","2","0.5","","Becker, Gerd; Brombach, Heike; Horner, Stephen T.; Niecke, Edgar; Schwarz, Wolfgang; Streubel, Rainer; Würthwein, Ernst-Ulrich","Synthesis and Structure of K^+^[^i^PrN=C=P]^-^, a 1-Aza-3λ^3^-phospha-3-allenide","Inorganic Chemistry","2005","44","9","3080","3086","10.1021/ic048162+","","","0.71073","MoKα","","0.0327","0.0296","","","0.0858","0.0889","","","","","","1.08","","","","has coordinates","270073","2021-10-23","22:03:08",""
"1500010","6.1926","0.0007","18.248","0.003","6.2335","0.0006","90","","90.078","0.007","90","","704.41","0.16","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H18 Co N7 O8 -","- C4 H18 Co N7 O8 -","- C8 H36 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0999","0.0868","","","0.2891","0.2981","","","","","","1.236","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501685","8.2039","0.00014","5.99673","0.00008","4.5435","0.00007","90","","93.8032","0.0014","90","","223.032","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06161","","1.37","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501686","8.20987","0.00014","5.99729","0.00008","4.54601","0.00007","90","","93.8491","0.0014","90","","223.327","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06612","","1.42","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501687","8.21673","0.00014","5.99825","0.00008","4.54871","0.00007","90","","93.8929","0.0014","90","","223.67","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06151","","1.42","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501688","8.22307","0.00014","5.99899","0.00008","4.55113","0.00007","90","","93.9367","0.0014","90","","223.978","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06281","","1.42","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501689","8.22913","0.00014","5.99941","0.00008","4.55352","0.00007","90","","93.9808","0.0014","90","","224.265","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06301","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501690","8.23546","0.00014","5.99997","0.00008","4.55596","0.00007","90","","94.0251","0.0013","90","","224.566","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.07022","","1.41","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501691","8.24185","0.00014","6.00052","0.00008","4.55819","0.00007","90","","94.071","0.0014","90","","224.858","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06371","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501692","8.24909","0.00014","6.00107","0.00008","4.56111","0.00007","90","","94.1234","0.0014","90","","225.206","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06914","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501693","8.25578","0.00014","6.00157","0.00008","4.56351","0.00007","90","","94.1741","0.0014","90","","225.511","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.07069","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501694","8.26299","0.00014","6.00194","0.00008","4.56608","0.00007","90","","94.2299","0.0014","90","","225.833","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.0641","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501695","8.26972","0.00014","6.00243","0.00008","4.56867","0.00007","90","","94.2836","0.0014","90","","226.148","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06919","","1.42","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502040","11.998","0.001","6.7769","0.0006","11.9999","0.001","90","","93.718","0.001","90","","973.65","0.14","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H19 I N2 O2 -","- C23 H19 I N2 O2 -","- C46 H38 I2 N4 O4 -","2","0.5","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.0394","0.0346","","","0.0967","0.1004","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502320","8.265","0.0017","6.753","0.0014","14.254","0.003","90","","103.68","0.03","90","","773","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H12 Cl N O2 -","- C20 H12 Cl N O2 -","- C40 H24 Cl2 N2 O4 -","2","0.5","","Fei, Na; Yin, Hao; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","CuCl2-promoted 6-endo-dig chlorocyclization and oxidative aromatization cascade: efficient construction of 1-azaanthraquinones from N-propargylaminoquinones.","Organic letters","2011","13","16","4208","4211","10.1021/ol201542h","","","0.71073","MoKα","","0.0777","0.0533","","","0.1362","0.1538","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504158","10.4708","0.0005","19.8848","0.0009","10.7309","0.0005","90","","116.395","0.003","90","","2001.36","0.17","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C34 H56 N12 O17 -","- C34 H34 N12 O17 -","- C68 H68 N24 O34 -","2","0.5","","Stancl, Marek; Hodan, Martin; Sindelar, Vladimir","Glycoluril trimers: selective synthesis and supramolecular properties.","Organic letters","2009","11","18","4184","4187","10.1021/ol9017886","","","0.71073","MoKα","","0.1216","0.0796","","","0.2304","0.2659","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504526","8.6044","0.0016","15.398","0.003","13.408","0.003","90","","106.679","0.006","90","","1701.7","0.6","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H30 Cl2 N3 O P -","- C42 H30 Cl2 N3 O P -","- C84 H60 Cl4 N6 O2 P2 -","2","0.5","","Matano, Yoshihiro; Nakashima, Makoto; Nakabuchi, Takashi; Imahori, Hiroshi; Fujishige, Shinya; Nakano, Haruyuki","Monophosphaporphyrins: oxidative pi-extension at the peripherally fused carbocycle of the phosphaporphyrin ring.","Organic letters","2008","10","4","553","556","10.1021/ol7029118","","","0.71069","MoKα","","0.173","0.0728","","","0.1314","0.173","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505174","8.7478","0.0002","6.5361","0.0001","12.5842","0.0002","90","","107.296","0.001","90","","686.98","0.02","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","theophylline:sorbic acid cocrystal (1:1)","theophylline sorbic acid","","- C13 H16 N4 O4 -","- C13 H16 N4 O4 -","- C26 H32 N8 O8 -","2","0.5","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.0454","0.0381","","","0.1005","0.1221","","","","","","1.192","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505747","18.1948","0.0002","11.14953","0.00009","11.13725","0.00009","90","","107.733","0.002","90","","2151.99","0.04","300","","300","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Endohedral metallofullerene","","- C89 H8 Sc3 -","- C65.65 H5.4 Sc1.959 -","- C131.3 H10.8 Sc3.918 -","2","0.5","","Nishibori, Eiji; Terauchi, Ikuya; Sakata, Makoto; Takata, Masaki; Ito, Yasuhiro; Sugai, Toshiki; Shinohara, Hisanori","High-resolution analysis of (Sc3C2)@ C80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction.","The journal of physical chemistry. B","2006","110","39","19215","19219","10.1021/jp061740i","powder diffraction","","1.00123","synchrotron","","","","","","","","","0.0436","","","","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505888","7.4374","0.0004","8.0243","0.0006","11.3999","0.0015","90","","92.67","0.007","90","","679.61","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H9 N O6 -","- C15 H9 N O6 -","- C30 H18 N2 O12 -","2","0.5","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.0603","0.0412","","","0.1034","0.1126","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506077","6.3417","0.0001","20.5313","0.0003","9.4744","0.0002","90","","96.329","0.001","90","","1226.08","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71069","MoKα","","0.0683","0.0493","","","0.1584","0.1903","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506343","7.88","0.0016","6.795","0.0014","8.835","0.0018","90","","115.02","0.03","90","","428.67","0.18","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H1.5 Cl1.5 O1.5 -","- C3 H1.5 Cl1.5 O1.5 -","- C12 H6 Cl6 O6 -","4","1","","Gong, Huijuan; You, Zhen; Xian, Qiming; Shen, Xing; Zou, Huixian; Huan, Fei; Xu, X.","Study on the Structure and Mutagenicity of a New Disinfection Byproduct in Chlorinated Drinking Water","Environmental Science & Technology","2005","39","19","7499","","10.1021/es0505954","","","0.71073","MoKα","","0.0574","0.051","","","0.2205","0.2306","","","","","","2.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506535","4.517","0.005","26.92","0.03","8.586","0.01","90","","93.546","0.018","90","","1042","2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4mepyur-ICCCCI","1-6 co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C36 H28 I4 N8 O4 -","2","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.1819","0.059","","","0.0984","0.1894","","","","","","0.928","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508699","8.025","0.0004","9.9052","0.0005","8.9614","0.0004","90","","92.41","0.001","90","","711.7","0.06","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C30 H46 N2 O6 -","2","0.5","","Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej","Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.","Organic letters","2012","14","20","5322","5325","10.1021/ol302506f","","","0.41238","synchrotron","","0.106","0.0963","","0.2912","0.2519","0.2618","","","","","","1.0709","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509109","9.5341","","4.1004","","10.2545","","90","","100.066","","90","","394.715","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Copper(I) silver lead bismuth selenide (4.93/0.4/0.61/0.39/4)","","- Ag0.4 Bi0.39 Cu4.93 Pb0.61 Se4 -","- Ag0.4 Bi0.39 Cu4.93 Pb0.61 Se4 -","- Ag0.8 Bi0.78 Cu9.86 Pb1.22 Se8 -","2","0.5","","Cooper, M.A.; Hawthorne, F.C.; Criddle, A.J.; Tischendorf, G.; Laflamme, J.H.G.; Stanley, C.J.; Foerster, H.J.; Roberts, A.C.","Schlemaite, (Cu, vac)6 (Pb, Bi) Se4, a new mineral species from Niederschlema-Alberoda, Erzgebirge, Germany: description and crystal structure","Canadian Mineralogist","2003","41","","1433","1444","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509147","7.9738","","4.1067","","11.135","","90","","104.17","","90","","353.533","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ag Bi2 Se3 Cl","","- Ag Bi2 Cl Se3 -","- Ag Bi2 Cl Se3 -","- Ag2 Bi4 Cl2 Se6 -","2","0.5","","Ruck, M.","Synthese und Kristallstrukturen der quaternaeren Chalkogenidchloride Ag Bi2 S3 Cl und Ag Bi2 Se3 Cl","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1537","1540","10.1002/1521-3749(200207)628:7<1537::AID-ZAAC1537>3.0.CO;2-M","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509246","7.765","","3.999","","10.829","","90","","103.18","","90","","327.407","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ag (Bi2 S3 Cl)","","- Ag Bi2 Cl S3 -","- Ag Bi2 Cl S3 -","- Ag2 Bi4 Cl2 S6 -","2","0.5","","Ruck, M.","Synthese und Kristallstrukturen der quaternaeren Chalkogenidchloride Ag Bi2 S3 Cl und Ag Bi2 Se3 Cl","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1537","1540","10.1002/1521-3749(200207)628:7<1537::AID-ZAAC1537>3.0.CO;2-M","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509249","9.782","0.0005","14.983","0.0006","12.1152","0.0006","90","","92.886","0.002","90","","1773.4","0.14","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","18-crown-6-KCl-dihydrate","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,dihydrate","","- C12 H28 Cl K O8 -","- C12 H26 Cl K O8 -","- C48 H104 Cl4 K4 O32 -","4","1","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0736","0.0514","","","0.1332","0.144","","","","","","1.065","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1509288","9.682","","6.527","","11.626","","90","","93.84","","90","","733.049","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs5 Ag (Si3 O9)","","- Ag Cs5 O9 Si3 -","- Ag Cs5 O9 Si3 -","- Ag2 Cs10 O18 Si6 -","2","0.5","","Amann, P.; Moeller, A.","Neue Cyclosilicate der Alkalielemente: Cs5 Ag Si3 O9 und Cs6 Na6 Si6 O18","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","172","179","10.1002/1521-3749(200102)627:2<172::AID-ZAAC172>3.0.CO;2-G","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509464","5.424","","26.97","","6.627","","90","","106.81","","90","","928.008","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ag Mn6 (P2 O7)2 (P3 O10)","","- Ag Mn6 O24 P7 -","- Ag Mn6 O24 P7 -","- Ag2 Mn12 O48 P14 -","2","0.5","","ElMaadi, A.; Bennazha, J.; Holt, E.M.; Boukhari, A.","Identification of a new family of phosphate compounds, A(I) B(II)6 (P2 O7)2 P3 O10: structures of K Mn6 (P2 O7)2 P3 O10 and Ag Mn6 (P2 O7)2 P3 O10","Solid State Sciences","2001","3","","587","592","10.1016/S1293-2558(00)01147-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509584","7.382","","3.6029","","12.193","","90","","107.39","","90","","309.47","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ag1.2 (V3 O8)","","- Ag1.2 O8 V3 -","- Ag1.2 O8 V3 -","- Ag2.4 O16 V6 -","2","0.5","","Rozier, P.; Galy, J.","Ag1.2 V3 O8 crystal structure: relationship with Ag2 V4 O11-y and interpretation of physical properties","Journal of Solid State Chemistry","1997","134","","294","301","10.1006/jssc.1997.7559","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509926","12.7778","","14.6687","","13.4262","","90","","108.48","","90","","2386.76","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ag3 Bi14 Br21 -","- Ag3 Bi14 Br21 -","- Ag6 Bi28 Br42 -","2","0.5","","Wahl, B.; Ruck, M.","Ag3 Bi14 Br21: a subbromide with Bi2(4+) dumbbells and Bi9(5+) polyhedra - synthesis, crystal structure and chemical bonding","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","2873","2879","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509978","7.672","","17.66599","","8.937","","90","","107.89","","90","","1152.7","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ba Ag8 S5","","- Ag8 Ba S5 -","- Ag8 Ba S5 -","- Ag32 Ba4 S20 -","4","1","","Chong Zheng; Dabrowski, B.; Check, C.E.; Zhang Jianhua","Synthesis and structure of a new ternary silver-rich sulfide Ba Ag8 S5","Journal of Solid State Chemistry","1999","144","","409","415","10.1006/jssc.1999.8188","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510031","6.36","","11.071","","6.518","","90","","108.17","","90","","436.058","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ag3 Sn P7","","- Ag3 P7 Sn -","- Ag3 P7 Sn -","- Ag6 P14 Sn2 -","2","0.5","","Shevel'kov, A.V.; Popovkin, B.A.; Shatruk, M.M.; Kovnir, K.A.","Ag3 Sn P7: A polyphosphide with a unique infinite(P7) chain and a novel Ag3 Sn heterocluster","Angew. Chem. Int. ed.","2000","39","","2508","2509","10.1002/1521-3773(20000717)39:14<2508::AID-ANIE2508>3.0.CO;2-O","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510098","5.5569","","10.4211","","5.5569","","90","","117.387","","90","","285.728","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na4 (Au Co O5)","","- Au Co Na4 O5 -","- Au Co Na4 O5 -","- Au2 Co2 Na8 O10 -","2","0.5","","Hoppe, R.; Mader, K.","Neuartige Maeander mit Co3+ und Au3+: Na4(AuCoO5) = Na8((O2/2(CoO)O2AuO2/2)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","612","","89","96","10.1002/zaac.19926120115","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510308","40.13","","4.697","","6.192","","90","","94.21","","90","","1163.98","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Au Sr -","- Au Sr -","- Au20 Sr20 -","20","5","","Fornasini, M.L.","New alkaline earth equiatomic phases: Sr Au and Ba Au","Journal of Solid State Chemistry","1985","59","","60","64","10.1016/0022-4596(85)90350-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510667","6.432","","5.312","","11.286","","90","","96.03","","90","","383.473","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Ba2 Ho (B O3)2 Cl","","- B2 Ba2 Cl Ho O6 -","- B2 Ba2 Cl Ho O6 -","- B4 Ba4 Cl2 Ho2 O12 -","2","0.5","","Khamaganova, T.N.; Nevskii, N.N.; Trunov, V.K.","Crystal structures of Ba2 TR (B O3)2 Cl (TR= Ho, Yb)","Kristallografiya","1989","34","","1422","1425","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510677","6.397","","5.279","","11.222","","90","","96.17","","90","","376.769","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Ba2 Yb (B O3)2 Cl","","- B2 Ba2 Cl O6 Yb -","- B2 Ba2 Cl O6 Yb -","- B4 Ba4 Cl2 O12 Yb2 -","2","0.5","","Trunov, V.K.; Nevskii, N.N.; Khamaganova, T.N.","Crystal structures of Ba2 TR (B O3)2 Cl (TR= Ho, Yb)","Kristallografiya","1989","34","","1422","1425","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510906","6.79","","3.1513","","5.396","","90","","101.6","","90","","113.102","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Er Mo B3","","- B3 Er Mo -","- B3 Er Mo -","- B6 Er2 Mo2 -","2","0.5","","Kuz'ma, Yu.B.; Aksel'rud, L.G.; Chaban, N.F.","Crystal structure of Er Mo B3","Kristallografiya","1989","34","","1419","1421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510928","10.095","","3.519","","15.647","","90","","105.45","","90","","535.762","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Li2 Yb5 O4 (B O3)3","","- B3 Li2 O13 Yb5 -","- B3 Li2 O13 Yb5 -","- B6 Li4 O26 Yb10 -","2","0.5","","Chaminade, J.P.; Fouassier, C.; Jubera, V.; Gravereau, P.","A new oxyborate in the ternary phase diagrams Li2 O-Ln2 O3-B2 O3: Li2 Ln5 O4 (B O3)3 (Ln = Yb, Lu): Crystal structure of the ytterbium phase","Journal of Solid State Chemistry","2001","156","","161","167","10.1006/jssc.2000.8977","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511027","6.3022","","5.0593","","4.1311","","90","","107.528","","90","","125.603","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ce (B O3)","","- B Ce O3 -","- B Ce O3 -","- B2 Ce2 O6 -","2","0.5","","Montardi, Y.; Jobic, S.; Goubin, F.; Rocquefelte, X.; Deniard, P.; Brec, R.","Optical properties of Ce B O3 and Ce B3 O6 compounds: first- principles calculations and experimental results","Journal of Solid State Chemistry","2004","177","","89","100","10.1016/S0022-4596(03)00322-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511186","10.284","","4.224","","13.246","","90","","90.87","","90","","575.335","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Sr2 (B N2) I","","- B I N2 Sr2 -","- B I N2 Sr2 -","- B4 I4 N8 Sr8 -","4","1","","Rohrer, F.E.; Nesper, R.","Sr2 B N2 I: a strontium iodide compound with isolated B N2(3-) units","Journal of Solid State Chemistry","1999","142","","187","191","10.1006/jssc.1998.8028","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511323","5.444","","9.699","","6.69","","90","","98.13","","90","","349.691","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tl3 B S3","","- B S3 Tl3 -","- B S3 Tl3 -","- B2 S6 Tl6 -","2","0.5","","Hamann, W.; Krebs, B.","Ortho-Thioborates and Ortho-Selenoborates: Synthesis, Structure and Properties of Tl3 B S3 and Tl3 B Se3","Journal of the Less-Common Metals","1988","137","","143","154","10.1016/0022-5088(88)90082-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511327","5.547","","10.099","","6.852","","90","","97.59","","90","","380.48","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tl3 (B Se3)","","- B Se3 Tl3 -","- B Se3 Tl3 -","- B2 Se6 Tl6 -","2","0.5","","Hamann, W.; Krebs, B.","Ortho-thioborates and ortho-selenoborates: synthesis, structure and properties of Tl3 B S3 and Tl3 B Se3","Journal of the Less-Common Metals","1988","137","","143","154","10.1016/0022-5088(88)90082-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511784","6.1948","0.0002","15.6492","0.0006","6.2164","0.0002","90","","113.897","0.0016","90","","550.98","0.03","110","","110","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 B F2 Li N2 O4 -","- C8 H8 B F2 Li N2 O4 -","- C16 H16 B2 F4 Li2 N4 O8 -","2","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0548","0.0377","","","0.0956","0.1022","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511791","6.443","0.0008","6.2831","0.0007","12.1294","0.0016","90","","97.91","0.008","90","","486.35","0.1","110","","110","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 B F2 Li O7 -","- C4.5 H6 B F2 Li O7 -","- C9 H12 B2 F4 Li2 O14 -","2","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.047","0.0378","","","0.1198","0.1273","","","","","","1.177","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511921","9.4896","0.0015","9.4513","0.0014","10.805","0.0016","90","","108.172","0.003","90","","920.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 F3 N2 O3 S -","- C19 H19 F3 N2 O3 S -","- C38 H38 F6 N4 O6 S2 -","2","0.5","","Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan","Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides.","Organic letters","2013","15","8","1922","1925","10.1021/ol400571j","","","0.71073","MoKα","","0.0415","0.0375","","","0.0947","0.0975","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512133","12.365","0.006","7.358","0.003","16.939","0.008","90","","95.378","0.006","90","","1534.4","1.2","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Coumarin 522B","6,8,8,9-tetramethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one","","- C17 H18 F3 N O2 -","- C17 H18 F3 N O2 -","- C68 H72 F12 N4 O8 -","4","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott","Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B","The Journal of Physical Chemistry C","2013","117","27","14130","","10.1021/jp400614e","","","0.71073","MoKα","","0.0558","0.054","","","0.1513","0.1535","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512155","9.9253","0.0003","6.9102","0.0003","10.7273","0.0004","90","","110.711","0.002","90","","688.19","0.05","200","","200","","","","","","","","local","3","P 1 21/m 1","-P 2yb","11","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","0.5","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.063","0.0471","","0.1279","0.1187","0.1279","","","","","","0.9716","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512335","7.731","0.0015","7.195","0.003","10.886","0.004","90","","104.56","0.02","90","","586.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 Br F3 N -","- C13 H9 Br F3 N -","- C26 H18 Br2 F6 N2 -","2","0.5","","Wang, Yong; Chen, Chao; Zhang, Shu; Lou, Zhenbang; Su, Xiang; Wen, Lirong; Li, Ming","A Concise Construction of Polycyclic Quinolines via Annulation of ω-Cyano-1-alkynes with Diaryliodonium Salts","Organic Letters","2013","15","18","4794","","10.1021/ol402164s","","","0.71073","MoKα","","0.0392","0.0334","","","0.0773","0.0821","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512474","9.985","0.005","23.899","0.005","10.574","0.005","90","0.005","103.997","0.005","90","0.005","2448.4","1.8","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C30 H24 Cu3 Mo5 N12 O30 P2 -","- C30 H24 Cu3 Mo5 N12 O30 P2 -","- C60 H48 Cu6 Mo10 N24 O60 P4 -","2","0.5","","Xiang Wang; Dandan Wang; Mingguan Liu; Cuili Meng; Aixiang Tian; Kundawlet Alimaje; Zhenyu Shi","Two polyoxomolybdate-tuned hybrids composed of tripodal star-like ligand copper complexes","Inorganica Chimica Acta","2012","392","","160","164","10.1016/j.ica.2012.07.011","","","0.71069","MoKα","","0.0869","0.0573","","","0.1469","0.1658","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512977","8.458","0.0007","21.6474","0.0018","9.4309","0.0008","90","","109.884","0.002","90","","1623.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu","Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks","Inorganica Chimica Acta","2013","396","","84","91","10.1016/j.ica.2012.10.006","","","0.71073","MoKα","","0.0432","0.0352","","","0.0976","0.1029","","","","","","1.086","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1513006","8.77","0.003","18.565","0.006","13.97","0.005","90","","107.916","0.006","90","","2164.2","1.3","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H31 Cu2 Mo5 N14 O27 P2 -","- C21 H31 Cu2 Mo5 N14 O27 P2 -","- C42 H62 Cu4 Mo10 N28 O54 P4 -","2","0.5","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.085","0.0708","","","0.1242","0.1277","","","","","","1.582","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513682","5.9362","0.0002","13.8472","0.0005","9.4","0.0003","90","","97.888","0.002","90","","765.37","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Mo N3 O3 -","- C12 H15 Mo N3 O3 -","- C24 H30 Mo2 N6 O6 -","2","0.5","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0276","0.0231","","","0.046","0.0478","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513713","9.9429","0.0008","22.741","0.0016","10.5329","0.0007","90","","111.939","0.007","90","","2209.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H55 Cu6 F N12 O5 -","- C34 H55 Cu6 F N12 O5 -","- C68 H110 Cu12 F2 N24 O10 -","2","0.5","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.1089","0.0525","","","0.1138","0.1378","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513767","7.1295","0.0003","8.9916","0.0004","7.2907","0.0003","90","","109.503","0.002","90","","440.56","0.03","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H9 Br Ru -","- C10 H9 Br Ru -","- C20 H18 Br2 Ru2 -","2","0.5","","Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian","Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation","Polymer Chemistry","2014","5","4","1264","","10.1039/c3py01232h","","","0.71073","MoKα","","0.0188","0.0165","","","0.0349","0.0353","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514646","6.9645","0.0004","25.7559","0.0015","9.9824","0.0006","90","","99.152","0.001","90","","1767.82","0.18","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H13 F2 N4 O3 Pt -","- C19 H13 F2 N4 O3 Pt -","- C76 H52 F8 N16 O12 Pt4 -","4","1","","Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming","Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors","Chemical Science","2013","4","6","2630","","10.1039/c3sc21822h","","","1.54178","CuKα","","0.057","0.0568","","","0.1501","0.1503","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514722","8.86","0.0001","21.5544","0.0002","9.0818","0.0001","90","","108.601","0.0004","90","","1643.77","0.03","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H42 Ga Mn N2 O4 -","- C33 H42 Ga Mn N2 O4 -","- C66 H84 Ga2 Mn2 N4 O8 -","2","0.5","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.0435","0.0293","","0.0787","0.0653","0.0787","","","","","","0.9152","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515269","9.3108","0.001","16.3917","0.0017","10.7713","0.0011","90","","103.594","0.002","90","","1597.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","IPrAuF*2CH2Cl2","","","- C29 H40 Au Cl4 F N2 -","- C29 H40 Au Cl4 F N2 -","- C58 H80 Au2 Cl8 F2 N4 -","2","0.5","","Mankad, Neal P.; Toste, F. Dean","C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","1","72","76","10.1039/C1SC00515D","","","0.71073","MoKα","","0.0309","0.0282","","","0.0674","0.0693","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516641","6.9272","0.0018","6.6251","0.0019","8.512","0.002","90","","103.19","0.02","90","","380.34","0.17","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C10 H10 Cl2 I2 N2 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan","The nature of halogen...halide synthons: theoretical and crystallographic studies.","The journal of physical chemistry. A","2007","111","12","2319","2328","10.1021/jp0660684","","","0.71073","MoKα","","0.0377","0.0306","","","0.0696","0.073","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516646","4.3924","0.0009","8.1794","0.0016","9.4338","0.0019","90","","95.83","0.03","90","","337.18","0.12","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Br Cl N -","- C5 H5 Br Cl N -","- C10 H10 Br2 Cl2 N2 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan","The nature of halogen...halide synthons: theoretical and crystallographic studies.","The journal of physical chemistry. A","2007","111","12","2319","2328","10.1021/jp0660684","","","0.71073","MoKα","","0.069","0.0459","","","0.1078","0.1229","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516648","4.6993","0.0008","8.1822","0.0016","9.1028","0.0017","90","","100.045","0.013","90","","344.64","0.11","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Br Cl N -","- C5 H5 Br Cl N -","- C10 H10 Br2 Cl2 N2 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan","The nature of halogen...halide synthons: theoretical and crystallographic studies.","The journal of physical chemistry. A","2007","111","12","2319","2328","10.1021/jp0660684","","","0.71073","MoKα","","0.0753","0.0445","","","0.0958","0.1069","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517215","4.7973","0.0005","8.5668","0.0008","17.3529","0.0018","90","","90.321","0.002","90","","713.15","0.12","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H15 Cl2 N O -","- C14 H15 Cl2 N O -","- C28 H30 Cl4 N2 O2 -","2","0.5","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.0492","0.0379","","","0.0988","0.1076","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517216","4.82","0.0005","8.7182","0.0009","17.3278","0.0017","90","","90.278","0.002","90","","728.14","0.13","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H15 Br Cl N O -","- C14 H15 Br Cl N O -","- C28 H30 Br2 Cl2 N2 O2 -","2","0.5","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.056","0.037","","","0.0841","0.0928","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517513","6.2172","0.0002","16.4455","0.0005","7.0797","0.0002","90","","102.836","0.001","90","","705.77","0.04","123","","123","","","","","","","","see text","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H11 F6 N4 P -","- C13 H11 F6 N4 P -","- C26 H22 F12 N8 P2 -","2","0.5","","Markovits, Iulius I. E.; Anthofer, Michael H.; Kolding, Helene; Cokoja, Mirza; Pöthig, Alexander; Raba, Andreas; Herrmann, Wolfgang A.; Fehrmann, Rasmus; Kühn, Fritz E.","Efficient epoxidation of propene using molecular catalysts","Catal. Sci. Technol.","2014","4","11","3845","","10.1039/C4CY01066C","","x-ray","0.71073","MoKα","","0.0282","0.0279","","","0.0681","0.0683","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517993","6.771","0.002","6.309","0.002","5.433","0.002","90","","113.2","0.01","90","","213.32","0.12","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H Li3 O4 Te -","- H Li3 O4 Te -","- H2 Li6 O8 Te2 -","2","0.5","","Cachau-Herreillat, D; Norbert, A; Maurin, M; Fourcade, R; Philippot, E","Synthese, etude structurale par rayons X et par spectrometrie infrarouge et Raman du tellurite basique Li2TeO3, LiOH","Revue de Chimie Minerale'","1983","20","","129","139","","","x-ray","0.71069","MoKα","","","0.046","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518039","11.766","0.005","7.164","0.004","9.028","0.004","90","","108.32","0.06","90","","722.4","0.6","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba4 Ga2 S7 -","- Ba4 Ga2 S7 -","- Ba8 Ga4 S14 -","2","0.5","","Eisenmann, Brigitte; Jakowski, Mareike; Schafer, Herbert","Darstellung und kristallstruktur von Ba4Ga2S7 und Ba3Ga2S6","Revue de Chimie Minerale","1984","21","","12","20","","","x-ray","0.71069","MoKα","","","","","","0.062","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518068","6.622","0.002","6.995","0.003","6.632","0.003","90","","103.14","0.03","90","","299.2","0.2","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- F8 Li Na Y2 -","- F8 Li Na Y2 -","- F16 Li2 Na2 Y4 -","2","0.5","","Avignant, D.; Zambon, D.; Metin, J.; Cousseins, J. C.","Structure cristalline de LiNaY2F8","Revue de Chimie Minerale","1984","21","","771","778","","","x-ray","0.71069","MoKα","","","0.04","","","0.046","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518076","10.494","0.003","5.991","0.002","7.534","0.002","90","","110.5","0.1","90","","443.7","0.4","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Al2 As3 K3 -","- Al2 As3 K3 -","- Al4 As6 K6 -","2","0.5","","Cordier, Gerhard; Ochmann, Harald; Schafer, Herbert","Neuartige Al2As3-kettenverbande in der verbindung K3Al2As3","Revue de Chimie Minerale","1985","22","","58","63","","","x-ray","0.71069","MoKα","","","","","","0.034","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518086","18.398","0.007","4.241","0.002","17.037","0.007","90","","90.58","0.02","90","","1329.3","1","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Bi6 Se13 Sr4 -","- Bi6 Se13 Sr4 -","- Bi12 Se26 Sr8 -","2","0.5","","Cordier, Gerhard; Schafer, Herbert; Schwidetzky, Christoph","Preparation and crystal structure of the new compound Sr4Bi6Se13","Revue de Chimie Minerale","1985","22","","631","638","","","x-ray","0.71069","MoKα","","","","","","0.085","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518111","7.138","0.003","3.715","0.002","6.511","0.003","90","","110.08","0.05","90","","162.16","0.14","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- F Mo Na O3 -","- F Mo Na O3 -","- F2 Mo2 Na2 O6 -","2","0.5","","Moutou, Jpseph-Marie; Chaminade, Jean-Pierre; Pouchard, Michel; Hagenmuller, Paul","Structure cristalline de l'oxyfluoromolybdate de sodium NaMoO3F","Revue de Chimie Minerale","1986","23","","27","34","","","x-ray","0.70929","MoKα","","","0.054","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518204","7.838","0.003","8.403","0.003","11.048","0.003","90","","110.57","0.04","90","","681.3","0.4","","","295","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cd Cs2 I4 -","- Cd Cs2 I4 -","- Cd2 Cs4 I8 -","2","0.5","","Touchard, V.; Louer, M.; Auffredic, J. P.; Louer, D.","Polymorphisme de l'iodure de cesium et de cadmium","Revue de Chimie Minerale","1987","24","","414","426","","","x-ray","0.71073","MoKα","","","0.059","","","0.07","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518670","10.2147","0.0007","8.6511","0.0006","11.0323","0.0007","90","","94.5503","0.0008","90","","971.83","0.11","173","2","173.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[FPMe3][OTf]","","- C4 H9 F4 O3 P S -","- C4 H9 F4 O3 P S -","- C16 H36 F16 O12 P4 S4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0869","0.0888","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519812","6.5148","0.0003","11.4581","0.0005","6.8511","0.0002","90","","111.601","0.002","90","","475.5","0.03","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H8 Fe N2 -","- C12 H8 Fe N2 -","- C24 H16 Fe2 N4 -","2","0.5","","Connell, Arthur; Holliman, Peter J.; Male, Louise; Hursthouse, Michael B.","C12H8FeN2","Crystal Structure Report Archive","2007","","","341","","","","","0.71073","MoKα","","0.0518","0.047","","","0.1137","0.1295","","","","","","1.393","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519934","6.824","0.005","15.465","0.005","6.839","0.005","90","0.005","97.692","0.005","90","0.005","715.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","killalaite","- Ca3.22 H2 O8 Si2 -","- Ca3.1625 H1.16 O8 Si2 -","- Ca12.65 H4.64 O32 Si8 -","4","1","","Armbruster, T.; Lazic, B.; Galuskina, I. O.; Galuskin, E. V.; Gnos, E.; Marzec, K. M.; Gazeev, V. M.","Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite","Mineralogical Magazine","2012","76","3","455","472","10.1180/minmag.2012.076.3.02","","","0.71073","MoKα","","0.1082","0.0761","","","0.1848","0.2088","","","","","","1.005","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1520210","8.1472","0.0007","6.4965","0.0005","9.0107","0.0005","90","","97.401","0.004","90","","472.95","0.06","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Succinic Acid and 2-Methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C16 H24 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazolium succinate","Crystal Structure Report Archive","2008","","","462","","","","","0.71073","MoKα","","0.0687","0.048","","","0.099","0.1076","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520546","4.9476","","3.3787","","8.7479","","90","","97.617","","90","","144.944","","293","","293","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- S3 Ti -","- S3 Ti -","- S6 Ti2 -","2","0.5","","Lipatov, Alexey; Wilson, Peter M.; Shekhirev, Mikhail; Teeter, Jacob D.; Netusil, Ross; Sinitskii, Alexander","Few-layered titanium trisulfide (TiS3) field-effect transistors.","Nanoscale","2015","7","29","12291","12296","10.1039/c5nr01895a","","x-ray","0.71073","MoKα","","0.1771","0.1252","","","0.1463","0.1545","","","","2.56","2.56","2.13","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520550","7.689","0.002","12.672","0.003","10.459","0.002","90","","99.81","0.03","90","","1004.2","0.4","","","263","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 Br6 N O Sb Te -","- C9 Br6 N O Sb Te -","- C18 Br12 N2 O2 Sb2 Te2 -","2","0.5","","Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan","Reaction of TeBr4 with SbBr3 in the Presence of [C6H5(CH3)3N]Br: Crystal Structures of [C6H5(CH3)3N]2[Te2Br10] and [C6H5(CH3)3N][SbTeOBr6]","Acta Chemica Scandinavica","1999","53","","992","996","10.3891/acta.chem.scand.53-0992","","x-ray","0.71069","MoKα","","","0.0756","","","0.141","","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520575","9.7773","0.0002","6.90436","0.00013","9.79548","0.00019","90","","98.985","0.002","90","","653.14","0.02","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C32 H30 N6 -","2","0.5","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","The Aryne aza-Diels-Alder Reaction: Flexible Syntheses of Isoquinolines.","Organic letters","2015","17","13","3374","3377","10.1021/acs.orglett.5b01704","","x-ray","1.54184","CuKα","","0.0563","0.0555","","","0.1358","0.1373","","","","","","1.123","","","","has coordinates,has disorder","204128","2020-10-21","18:00:00",""
"1520742","11.519","0.003","20.858","0.002","11.942","0.003","90","","117.73","0.04","90","","2539.7","1.3","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H80 Ga Li N2 Si4 -","- C43 H81 Ga Li N2 Si4 -","- C86 H162 Ga2 Li2 N4 Si8 -","2","0.5","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.54178","CuKα","","0.0807","0.0579","","","0.1449","0.1567","","","","","","1.024","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520778","6.676","","16.547","","7.543","","90","","94.41","","90","","830.791","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Sr1.54 Ba0.53) (Al4.05 Si11.95) O32 (H2 O)3.16","","- Al4.05 Ba0.53 H6.32 O35.16 Si11.95 Sr1.54 -","- Al4.048 Ba0.526 O35.16 Si11.952 Sr1.542 -","- Al4.048 Ba0.526 O35.16 Si11.952 Sr1.542 -","1","0.25","","Alberti, A.; Vezzalini, G.; Sacerdoti, M.; Quartieri, S.","Heating-induced phase transformation in zeolite brewsterite: new 4-and 5-coordinated (Si, Al) sites","Physics and Chemistry of Minerals (Germany)","1999","26","","181","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520828","8.616","","10.449","","9.397","","90","","99.72","","90","","833.854","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(P Cl4) (Re2 Cl9)","","- Cl13 P Re2 -","- Cl13 P Re2 -","- Cl26 P2 Re4 -","2","0.5","","Baranov, A.I.; Khvorykh, G.V.; Troyanov, S.I.","Synthesis and crystal structure of (P Cl4) (Re2 Cl9)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1240","1242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520844","7.607","","5.837","","9.879","","90","","91.2","","90","","438.552","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K3 Ce (As O4)2","","- As2 Ce K3 O8 -","- As2 Ce K3 O8 -","- As4 Ce2 K6 O16 -","2","0.5","","Belam, W.; Zid, M.F.; Daoud, A.; Driss, A.","Preparation et etude structurale du tripotassium cerium(III) bis-arseniate: K3 Ce (As O4)2","Journal de la Societe Chimique, Tunis","2000","4","","715","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521230","7.834","","20.176","","8.463","","90","","97.54","","90","","1326.08","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(C (N H2)3)3 (Br3 (Bi Br3)2)","","- C3 H18 Bi2 Br9 N9 -","- C3 Bi2 Br9 N9 -","- C6 Bi4 Br18 N18 -","2","0.5","","Jakubas, R.; Zaleski, J.; Kosturek, B.; Bator, G.","Structure and phase transitions in the ferroelastic (C (N H2)3)3 Bi2 Br9 crystal","Journal of Physics: Condensed Matter","1999","11","","4731","4746","","","","","","","","","","","","","","","","","","","","","","has coordinates","140911","2020-10-21","18:00:00",""
"1521393","6.962","","5.663","","4.658","","90","","107.73","","90","","174.923","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K (S O2 F)","","- F K O2 S -","- F K O2 S -","- F2 K2 O4 S2 -","2","0.5","","Kessler, U.; Jansen, M.","Kristallstrukturen der Monofluorosulfite M S O2 F (M = K, Rb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","385","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521394","7.172","","5.867","","4.84","","90","","107.14","","90","","194.613","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb (S O2 F)","","- F O2 Rb S -","- F O2 Rb S -","- F2 O4 Rb2 S2 -","2","0.5","","Kessler, U.; Jansen, M.","Kristallstrukturen der Monofluorosulfite M S O2 F (M = K, Rb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","385","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521860","5.881","","8.127","","6.259","","90","","96.35","","90","","297.313","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","K2 (Mn F5) (H2 O)","","- F5 H2 K2 Mn O -","- F5 H2 K2 Mn O -","- F10 H4 K4 Mn2 O2 -","2","0.5","","Roisnel, T.; Nunez, P.; Tressaud, A.; Molins, E.; Rodriguez-Carvajal, J.","Investigation of K2 Mn F5 . (H2 O) by neutron diffraction","Journal of Solid State Chemistry","2000","150","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521975","6.801","","17.52089","","7.7387","","90","","94.373","","90","","919.456","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Sr0.67 Ba0.33) (Al2 Si6 O16) (H2 O)4.558","","- Al2 Ba0.33 H9.116 O20.558 Si6 Sr0.67 -","- Al2 Ba0.334 O20.558 Si6 Sr0.678 -","- Al4 Ba0.668 O41.116 Si12 Sr1.356 -","2","0.5","","Stahl, K.; Hanson, J.C.","Multiple cation sites in dehydrated brewsterite. An in-situ X-ray synchrotron powder diffraction study","Microporous and Mesoporous Materials","1999","32","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521976","6.8293","","17.31569","","7.6719","","90","","94.591","","90","","904.322","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Sr0.67 Ba0.33) (Al2 Si6 O16) (H2 O)2.84","","- Al2 Ba0.33 H5.68 O18.84 Si6 Sr0.67 -","- Al2 Ba0.326 O18.838 Si6 Sr0.661 -","- Al4 Ba0.652 O37.676 Si12 Sr1.322 -","2","0.5","","Stahl, K.; Hanson, J.C.","Multiple cation sites in dehydrated brewsterite. An in-situ X-ray synchrotron powder diffraction study","Microporous and Mesoporous Materials","1999","32","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521977","6.8311","","17.1698","","7.6617","","90","","94.686","","90","","895.626","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Sr0.67 Ba0.33) (Al2 Si6 O16) (H2 O)2.146","","- Al2 Ba0.33 H4.292 O18.146 Si6 Sr0.67 -","- Al2 Ba0.327 O18.146 Si6 Sr0.661 -","- Al4 Ba0.654 O36.292 Si12 Sr1.322 -","2","0.5","","Stahl, K.; Hanson, J.C.","Multiple cation sites in dehydrated brewsterite. An in-situ X-ray synchrotron powder diffraction study","Microporous and Mesoporous Materials","1999","32","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521978","6.791","","16.806","","7.639","","90","","94.69","","90","","868.916","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Sr0.67 Ba0.33) (Al2 Si6 O16) (H2 O)1.036","","- Al2 Ba0.33 H2.072 O17.036 Si6 Sr0.67 -","- Al2 Ba0.324 O17.036 Si6 Sr0.66 -","- Al4 Ba0.648 O34.072 Si12 Sr1.32 -","2","0.5","","Stahl, K.; Hanson, J.C.","Multiple cation sites in dehydrated brewsterite. An in-situ X-ray synchrotron powder diffraction study","Microporous and Mesoporous Materials","1999","32","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522073","14.52","","4.263","","5.511","","90","","100.31","","90","","335.616","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Gd (Ni0.9 Pt0.1)","","- Gd Ni0.9 Pt0.1 -","- Gd Ni0.9 Pt0.1 -","- Gd8 Ni7.2 Pt0.8 -","8","2","","Klepp, K.; Parthe, E.","Phase relationship of ternary rare earth-transition metal alloys with Cr B and Fe B structures or stacking variants","Journal of the Less-Common Metals","1982","85","","181","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522310","4.646","","4.108","","2.898","","90","","97.78","","90","","54.801","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Kudoh, Y.; Tokonami, M.; Miyazaki, S.; Otsuka, K.","Crystal structure of the martensite in Ti-49.2 at.% alloy analyzed by the single crystal X-ray diffraction method","Acta Metallurgica","1985","33","","2049","2056","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522330","8.6335","","5.455","","7.0482","","90","","90.295","","90","","331.936","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na3 In (P O4)2","","- In Na3 O8 P2 -","- In Na3 O8 P2 -","- In2 Na6 O16 P4 -","2","0.5","","Zhizhin, M.G.; Lazoryak, B.I.; Morozov, V.A.; Bobylev, A.P.; Popov, A.M.; Spiridonov, F.M.; Komissarova, L.N.","Structure of polymorphous modifications of double sodium and indiumphosphate","Journal of Solid State Chemistry","2000","149","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522358","12.458","","5.336","","6.842","","90","","89.69","","90","","454.821","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Al Ce3 -","- Al Ce3 -","- Al4 Ce12 -","4","1","","Lawson, A.C.jr.; Thompson, J.D.; Lawrence, J.M.; Williams, A.","Low temperature crystal structure of Ce3 Al","Physik (Berlin)","1990","163","","587","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522368","21.26","","4.21","","5.45","","90","","97.42","","90","","483.715","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ni Tb -","- Ni Tb -","- Ni12 Tb12 -","12","3","","Lemaire, R.; Paccard, D.","Polymorphisme du compose Ti Nb","Journal of the Less-Common Metals","1970","21","","403","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523318","6.3998","","3.3286","","6.3254","","90","","93.14","","90","","134.544","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Al Au -","- Al Au -","- Al4 Au4 -","4","1","","Buechler, H.; Range, K.J.","Hochdruck-Hochtemperatursynthese und Kristall- struktur von Al11 Au4 und Al Au","Journal of the Less-Common Metals","1990","160","","143","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523323","4.665","","4.11","","2.884","","90","","98.1","","90","","54.744","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Buehrer, W.; Gotthardt, R.; Kulik, A.; Mercier, O.; Staub, F.","Powder neutron diffraction study of nickel-titanium martensite","Journal of Physics F","1983","13","","77","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523695","27.33","","5.537","","4.869","","90","","90.5","","90","","736.779","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Pt3 Ta -","- Pt3 Ta -","- Pt36 Ta12 -","12","3","","Giessen, B.C.; Kane, R.H.; Grant, N.J.","On the constitution diagram Ta-Pt between 50-100 at.% Pt","Transactions of the Metallurgical Society of Aime","1965","233","","855","864","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524562","4.768","","4.299","","8.97","","90","","103.01","","90","","179.144","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Eu Sb2 -","- Eu Sb2 -","- Eu2 Sb4 -","2","0.5","","Hulliger, F.; Schmelczer, R.","Crystal structure and antiferromagnetism of Eu Sb2","Journal of Solid State Chemistry","1978","26","","389","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524702","10.647","","4.174","","5.459","","90","","97","","90","","240.793","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Er Gd) Ni2","","- Er Gd Ni2 -","- Er Gd Ni2 -","- Er3 Gd3 Ni6 -","3","0.75","","Klepp, K.; Parthe, E.","Phase relationship of ternry rare earth-transition metal alloys with Cr B and Fe B structures of stacking variants","Journal of the Less-Common Metals","1982","85","","181","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524703","18.05","","4.205","","5.474","","90","","102.3","","90","","405.941","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Er0.3 Gd0.7) Ni","","- Er0.3 Gd0.7 Ni -","- Er0.3 Gd0.7 Ni -","- Er3 Gd7 Ni10 -","10","2.5","","Klepp, K.; Parthe, E.","Phase relationship of ternary rare earth-transition metal alloys with Cr B and Fe B structures of stacking variants","Journal of the Less-Common Metals","1982","85","","181","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524704","10.47","","4.455","","5.501","","90","","96.73","","90","","254.82","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Dy (Ni0.35 Pd0.65)","","- Dy Ni0.35 Pd0.65 -","- Dy Ni0.35 Pd0.65 -","- Dy6 Ni2.1 Pd3.9 -","6","1.5","","Klepp, A.; Parthe, E.","Phase relationship of ternary rare earth-transition metal alloys with Cr B and Fe B structures of stacking variants","Journal of the Less-Common Metals","1982","85","","181","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524714","4.633","","5.943","","7.104","","90","","106.4","","90","","187.643","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ba Te O3","","- Ba O3 Te -","- Ba O3 Te -","- Ba2 O6 Te2 -","2","0.5","","Kocak, M.; Platte, C.; Troemel, M.","Ueber verschiedene Formen von Ba Te O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","453","","93","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524915","9.213","","3.482","","10.292","","90","","114.46","","90","","300.532","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Fe Nb3 Se10 -","- Fe Nb3 Se10 -","- Fe Nb3 Se10 -","1","0.25","","Meerschaut, A.; Gressier, P.; Guemas, L.; Rouxel, J.","Structural determination of a new one-dimensional niobium chalcogenide: Fe Nb3 Se10","Materials Research Bulletin","1981","16","","1035","1040","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525157","7.599","","12.675","","8.051","","90","","106.27","","90","","744.396","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Nb3 Se5 Cl7","","- Cl7 Nb3 Se5 -","- Cl7 Nb3 Se5 -","- Cl14 Nb6 Se10 -","2","0.5","","Rijnsdorp, J.; Jellinek, F.","Preparation, crystal structure, and properties of the mixed-valence compound Nb3 Se5 Cl7","Journal of Solid State Chemistry","1979","28","","149","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","146063","2020-10-21","18:00:00",""
"1525243","10.383","","8.144","","7.657","","90","","109.8","","90","","609.192","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb2 (Co I4)","","- Co I4 Rb2 -","- Co I4 Rb2 -","- Co2 I8 Rb4 -","2","0.5","","Seifert, H.J.; Staeudel, L.","Ueber die Systeme Ai/Coi+2 und die kristallchemischen Beziehungen in der Gruppe der Doppelhalogenide An Cox(n+2) mit x = Cl, Br, I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","429","","105","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525383","11.4067","","4.167","","11.1026","","90","","115.2","","90","","477.5","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Rb (Hg (S C N)3)","","- C3 Hg N3 Rb S3 -","- C3 Hg N3 Rb S3 -","- C6 Hg2 N6 Rb2 S6 -","2","0.5","","Thiele, G.; Messer, D.","Kristallstrukturen der Trithiocyanomercurate Rb Hg(S C N)3 und Cs Hg (S C N)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","421","","24","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525554","6.757","","17.513","","7.737","","90","","94.18","","90","","913.125","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Ba0.274 Sr1.838) (Al4 Si12 O32) O0.194 (H2 O)9.788","","- Al4 Ba0.274 H19.576 O41.982 Si12 Sr1.838 -","- Al4 Ba0.274 O41.982 Si12 Sr1.838 -","- Al4 Ba0.274 O41.982 Si12 Sr1.838 -","1","0.25","","Alberti, A.; Vezzalini, G.; Quartieri, S.; Bordiga, S.; Cruciani, G.","Rehydration mechanisms in zeolites: reversibility of T - O - T breaking and of tetrahedral cation migration in brewsterite","Microporous and Mesoporous Materials","2001","42","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525632","10.961","","11.465","","10.984","","90","","90","","90","","1380.34","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ho S1.863 -","- Ho S1.86267 -","- Ho24 S44.704 -","24","6","","Belaya, S.V.; Vasil'eva, I.G.; Pervukhina, N.V.; Podberezskaya, N.V.; Eliseev, A.P.","Holmium polysulfides: crystal growth, structure and properties","Journal of Alloys Compd.","2001","323","","26","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525694","5.3245","","7.4223","","5.2841","","90","","91.02","","90","","208.795","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(Tb0.15 Ca0.85) (Mn O3)","","- Ca0.85 Mn O3 Tb0.15 -","- Ca0.85 Mn O3 Tb0.15 -","- Ca3.4 Mn4 O12 Tb0.6 -","4","1","","Blasco, J.; Ritter, C.; Garcia, J.; de Teresa, J.M.; Perez-Cacho, J.; Ibarra, M.R.","Structural and magnetic study of Tb1-x Cax Mn O3 perovskites","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","62","","5609","5618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525919","8.879","","5.583","","10.155","","90","","115.5","","90","","454.36","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ca2 (Al2.98 Fe.02) Si3 O12 (O H)","","- Al2.98 Ca2 Fe0.02 H O13 Si3 -","- Al2.98 Ca2 Fe0.02 H O13 Si3 -","- Al5.96 Ca4 Fe0.04 H2 O26 Si6 -","2","0.5","","Dollase, W.A.","Refinement and comparison of the structures of Zoisite and Clinozoisite","American Mineralogist","1968","53","","1882","1898","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525989","6.18595","","4.82598","","10.9719","","90","","101.787","","90","","320.64","","","","","","","","","","","","","1","P 1 21/m 1","-P 2yb","11","","","","- Pu -","- Pu -","- Pu16 -","16","4","","Espinosa, F.J.; Villella, P.; Cox, L.E.; Conradson, S.D.; Terry, J.; Lashley, J.C.; Martinez, R.; Morales, L.; Pereyra, R.A.","Local atomic structure of alpha-Pu","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1741111","1741118","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526029","6.91","","5.48","","4.51","","90","","112.83","","90","","157.4","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb (Se O3)","","- O3 Pb Se -","- O3 Pb Se -","- O6 Pb2 Se2 -","2","0.5","","Fischer, R.","Die Kristallstruktur von Molybdomenit, Pb Se O3","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","17","","196","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526088","5.1768","","13.541","","8.771","","90","","103.61","","90","","597.574","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na2 Mn (P5 O15)","","- Mn Na2 O15 P5 -","- Mn Na2 O15 P5 -","- Mn2 Na4 O30 P10 -","2","0.5","","Murashova, E.V.; Chudinova, N.N.","Sodium-manganese cyclopentaphosphate: synthesis and crystal structure","Kristallografiya","2000","45","","625","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526107","4.8183","","6.2671","","7.762","","90","","108.26","","90","","222.585","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Cs0.4 Rb0.6) (H2 P O4)","","- Cs0.4 H2 O4 P Rb0.6 -","- Cs0.4 H2 O4 P Rb0.6 -","- Cs0.8 H4 O8 P2 Rb1.2 -","2","0.5","","Naili, H.; Mhiri, T.; Daoud, A.","Crystal structure characterisation and vibrational study of a mixed compound Cs0.4 Rb0.6 H2 P O4","Phase Transition","2000","71","","271","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526219","8.782","","6.148","","7.628","","90","","111.1","","90","","384.236","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Pb1.8 Zn0.2) (Mn0.15 Al0.1 Fe0.75) (V O4)2 (O H)","","- Al0.1 Fe0.75 H Mn0.15 O9 Pb1.8 V2 Zn0.2 -","- Al0.1 Fe0.75 Mn0.15 O9 Pb1.8 V2 Zn0.2 -","- Al0.2 Fe1.5 Mn0.3 O18 Pb3.6 V4 Zn0.4 -","2","0.5","","Gurbanova, O.A.; Rastsvetaeva, R.K.; Chukanov, N.V.","Crystal structure of a new member of the brackebushite group Pb2 Fe (V O4)2 (O H)","Doklady Akad. Nauk","2001","378","","204","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526329","5.5328","","5.5334","","7.9109","","90","","89.889","","90","","242.193","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Na0.5 La0.5) (Mg0.5 W0.5) O3","","- La0.5 Mg0.5 Na0.5 O3 W0.5 -","- La0.5 Mg0.5 Na0.5 O3 W0.5 -","- La2 Mg2 Na2 O12 W2 -","4","1","","Hiramatsu, N.; Mishima, T.; Sagala, D.A.","Structural study of complex perovskite (Na, La) (Mg, W) O3","Ceramic Transactions, 13 (Supercond.Ceram.Supercond.)","2000","104","","79","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","147484","2020-10-21","18:00:00",""
"1526391","6.1","","4.215","","10.365","","90","","98.978","","90","","263.235","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","U2 Cu0.784 Te6","","- Cu0.784 Te6 U2 -","- Cu0.784 Te6 U2 -","- Cu0.784 Te6 U2 -","1","0.25","","Huang, F.Q.; Ibers, J.A.","Gd3 Cu2 Te7 and U2 Cu0.78 Te6: two examples of linear Te chains","Journal of Solid State Chemistry","2001","159","","186","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","147565","2020-10-21","18:00:00",""
"1526424","6.776","","17.466","","7.722","","90","","94.47","","90","","911.116","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)9.554","","- Al4 Ba0.51 H19.108 O41.554 Si12 Sr1.49 -","- Al3.996 Ba0.51 O41.554 Si12.004 Sr1.49 -","- Al3.996 Ba0.51 O41.554 Si12.004 Sr1.49 -","1","0.25","","Sacerdoti, M.; Quartieri, S.; Vezzalini, G.","Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study","Microporous and Mesoporous Materials","2000","41","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526426","6.78","","17.455","","7.705","","90","","94.59","","90","","908.923","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)8.73","","- Al4 Ba0.51 H17.46 O40.73 Si12 Sr1.49 -","- Al3.996 Ba0.51 O40.73 Si12.004 Sr1.49 -","- Al3.996 Ba0.51 O40.73 Si12.004 Sr1.49 -","1","0.25","","Sacerdoti, M.; Vezzalini, G.; Quartieri, S.","Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study","Microporous and Mesoporous Materials","2000","41","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526428","6.804","","17.285","","7.645","","90","","94.6","","90","","896.21","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)3.12","","- Al4 Ba0.51 H6.24 O35.12 Si12 Sr1.49 -","- Al3.996 Ba0.51 O35.12 Si12.004 Sr1.49 -","- Al3.996 Ba0.51 O35.12 Si12.004 Sr1.49 -","1","0.25","","Sacerdoti, M.; Quartieri, S.; Vezzalini, G.","Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study","Microporous and Mesoporous Materials","2000","41","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526429","6.785","","16.988","","7.645","","90","","94.6","","90","","878.352","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)2.13","","- Al4 Ba0.51 H4.26 O34.13 Si12 Sr1.49 -","- Al3.996 Ba0.51 O34.128 Si12.004 Sr1.49 -","- Al3.996 Ba0.51 O34.128 Si12.004 Sr1.49 -","1","0.25","","Sacerdoti, M.; Quartieri, S.; Vezzalini, G.","Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study","Microporous and Mesoporous Materials","2000","41","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526430","6.627","","16.4","","7.484","","90","","94.04","","90","","811.361","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)2.88","","- Al4 Ba0.51 H5.76 O34.88 Si12 Sr1.49 -","- Al3.996 Ba0.508 O34.88 Si12.004 Sr1.492 -","- Al3.996 Ba0.508 O34.88 Si12.004 Sr1.492 -","1","0.25","","Sacerdoti, M.; Vezzalini, G.; Quartieri, S.","Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study","Microporous and Mesoporous Materials","2000","41","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526703","6.6065","","5.2711","","8.8898","","90","","99.5898","","90","","305.248","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na ((W O3)2 (P O2))","","- Na O8 P W2 -","- Na O8 P W2 -","- Na2 O16 P2 W4 -","2","0.5","","Stus', N.V.; Lisnyak, V.V.; Slobodyanik, N.S.","Crystal structure of a new monophosphate tungsten(V) bronze with hexagonal tunnels Na4 (W O3)8 (P O2)4","Journal of Alloys Compd.","2001","325","","73","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526772","6.643","","6.674","","8.162","","90","","108.19","","90","","343.782","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Eu2 (Ge S4)","","- Eu2 Ge S4 -","- Eu2 Ge S4 -","- Eu4 Ge2 S8 -","2","0.5","","Tampier, M.; Johrendt, D.","Structural evidence for ferroelectricity in Eu2 Ge S4","Journal of Solid State Chemistry","2001","158","","343","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526828","10.072","","3.976","","17.389","","90","","98.66","","90","","688.426","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Er2 S3 -","- Er2 S3 -","- Er12 S18 -","6","1.5","","Landa-Canovas, A.R.; Amador, U.; Otero-Diaz, L.C.","Crystal structure and microstructure of delta-(Er2 S3)","Journal of Alloys Compd.","2001","323","","91","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526919","7.1931","","25.77","","15.9999","","90","","96.856","","90","","2944.63","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","((C H3 N H3)0.5 (N H4)1.5) Sb8 S13 (H2 O)2.775","","- C0.5 H14.55 N2 O2.775 S13 Sb8 -","- C0.5 N2 O2.775 S13 Sb8 -","- C2 N8 O11.1 S52 Sb32 -","4","1","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","Hydrothermal synthesis and crystal structures of ((C H3 N H3)0.5 (N H4)1.5) Sb8 S13 . 2.8(H2 O) and Rb2 Sb8 S13 . 3.3(H2 O)","Journal of Solid State Chemistry","2000","155","","409","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","148198","2020-10-21","18:00:00",""
"1526920","7.1899","","25.76","","15.973","","90","","96.541","","90","","2939.13","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Rb2 Sb8 S13 (H2 O)3.28","","- H6.56 O3.28 Rb2 S13 Sb8 -","- O3.28 Rb2 S13 Sb8 -","- O13.12 Rb8 S52 Sb32 -","4","1","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","Hydrothermal synthesis and crystal structures of ((C H3 N H3)0.5 (N H4)1.5) Sb8 S13 . 2.8(H2 O) and Rb2 Sb8 S13 . 3.3(H2 O)","Journal of Solid State Chemistry","2000","155","","409","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","148199","2020-10-21","18:00:00",""
"1526940","5.886","","4.658","","8.644","","90","","100.2","","90","","233.247","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Ba Cl (S C N)","","- C Ba Cl N S -","- C Ba Cl N S -","- C2 Ba2 Cl2 N2 S2 -","2","0.5","","Wickleder, C.; Larsen, P.","Ba Cl S C N und Na4 Mg (S C N)6: zwei neue wasserfreie Thiocyanate der Erdalkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1279","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527036","5.352","","7.428","","5.295","","90","","91.24","","90","","210.452","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(Ho0.2 Ca0.8) (Mn O3)","","- Ca0.8 Ho0.2 Mn O3 -","- Ca0.8 Ho0.2 Mn O3 -","- Ca3.2 Ho0.8 Mn4 O12 -","4","1","","Zeiske, T.; Hagdorn, K.; Ritter, H.; Hohlwein, D.; Prandl, W.; Ihringer, J.","Structure and magnetism of Ho0.2 Ca0.8 Mn O3","Physik (Berlin)","2000","276","","624","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527100","12.28","","3.6","","8","","90","","96.25","","90","","351.562","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na Ca.5 V6 O16","","- Ca0.5 Na O16 V6 -","- Ca0.5 Na O16 V6 -","- Ca0.5 Na O16 V6 -","1","0.25","","Bachmann, H.G.; Barnes, W.H.","The crystal structure of a sodium-calcium variety of Metahewettite","Canadian Mineralogist","1962","7","","219","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527101","9.81","","5.65","","4.7","","90","","104.7","","90","","251.978","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pb Cu (S O4) (O H)2","","- Cu H2 O6 Pb S -","- Cu O6 Pb S -","- Cu2 O12 Pb2 S2 -","2","0.5","","Bachmann, H.G.; Zemann, J.","Die Kristallstruktur von Linarit, Pb Cu S O4 (O H)2","Naturwissenschaften","1960","47","","177","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527112","7.937","","6.69","","7.851","","90","","124.39","","90","","344.012","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Zn3 O (S O4)2","","- O9 S2 Zn3 -","- O9 S2 Zn3 -","- O18 S4 Zn6 -","2","0.5","","Bald, L.; Gruehn, R.","Die Kristallstruktur von einem Sulfat-reichen Oxidsulfat des Zinks","Naturwissenschaften","1981","68","","39","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","148442","2020-10-21","18:00:00",""
"1527300","8.958","","5.665","","10.304","","90","","114.4","","90","","476.194","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","Ca (Pb.5 Sr.25 Ca.25) Al Al.86 Fe.14 Al.16 Fe.84 Si3 O13 H","","- Al2.02 Ca1.25 Fe0.98 H O13 Pb0.5 Si3 Sr0.25 -","- Al2.02 Ca1.25 Fe0.98 O13 Pb0.5 Si3 Sr0.25 -","- Al4.04 Ca2.5 Fe1.96 O26 Pb Si6 Sr0.5 -","2","0.5","","Dollase, W.A.","Refinement of the crystal structures of Epidote, Allanite and Hancockite","American Mineralogist","1971","56","","447","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527601","8.518","","5.998","","7.536","","90","","111.122","","90","","359.154","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na2 (Cr3 O8 (O H))","","- Cr3 H Na2 O9 -","- Cr3 Na2 O9 -","- Cr6 Na4 O18 -","2","0.5","","Jonsson, O.","The crystal structure of Na2 Cr3 O8 O H and K2 Cr3 O8 O H","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3627","3644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527602","9.267","","6.077","","7.813","","90","","114.082","","90","","401.697","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2 Cr3 O8 O H","","- Cr3 H K2 O9 -","- Cr3 K2 O9 -","- Cr6 K4 O18 -","2","0.5","","Jonsson, O.","The crystal structure of Na2 Cr3 O8 O H and K2 Cr3 O8 O H","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3627","3644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527605","6.092","","3.208","","8.6335","","90","","102.43","","90","","164.771","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Mo2.06 S3","","- Mo2 S3 -","- Mo2 S3 -","- Mo4 S6 -","2","0.5","","de Jonge, R.; Popma, T.J.A.; Wiegers, G.A.; Jellinek, F.","Structure and phase transitions of molybdenum(III) sulfide and some related phases","Journal of Solid State Chemistry","1970","2","","188","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","149266","2020-10-21","18:00:00",""
"1527677","4.552","","5.525","","6.633","","90","","106.4","","90","","160.031","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb (Se O3)","","- O3 Pb Se -","- O3 Pb Se -","- O6 Pb2 Se2 -","2","0.5","","Koskenlinna, M.; Valkonen, J.","Lead selenite, Pb Se O3","Crystal Structure Communications","1977","6","","813","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527687","8.673","","16.563","","8.647","","90","","92.1","","90","","1241.31","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Na4 Sn Se4 (H2 O)16","","- H32 Na4 O16 Se4 Sn -","- H32 Na4 O16 Se4 Sn -","- H64 Na8 O32 Se8 Sn2 -","2","0.5","","Krebs, B.; Huerter, H.U.","Selenostannate aus waessriger Loesung: Darstellung und Struktur von Na4 Sn Se4 (H2 O)16","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","143","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527789","9.515","","3.3412","","14.912","","90","","109.99","","90","","445.513","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Ta S3","","- S3 Ta -","- S3 Ta -","- S18 Ta6 -","6","1.5","","Meerschaut, A.; Guemas, L.; Rouxel, J.","Structure and properties of the new phase of the pseudo one-dimensional compound Ta S3","Journal of Solid State Chemistry","1981","36","","118","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527792","4.928","","9.446","","5.37","","90","","102.58","","90","","243.972","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Gd P5 -","- Gd P5 -","- Gd2 P10 -","2","0.5","","Menge, G.; von Schnering, H.G.","Gadoliniumpentaphosphid Gd P5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","422","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527857","6.425","","7.543","","8.169","","90","","96.5","","90","","393.356","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cs0.25 Mo O3 -","- Cs0.25 Mo O3 -","- Cs1.5 Mo6 O18 -","6","1.5","","Mumme, W.G.; Watts, J.A.","The Crystal Structure of the Molybdenum Bronze Csx Mo O3 (X ca. 0.25)","Journal of Solid State Chemistry","1970","2","","16","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528075","8.351","","14.023","","11.685","","90","","104.51","","90","","1324.74","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Rb9 O2","","- O2 Rb9 -","- O2 Rb9 -","- O4 Rb18 -","2","0.5","","Simon, A.","Das komplexe Metall Rb9 O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","431","","5","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","149959","2020-10-21","18:00:00",""
"1528290","6.056","","6.139","","5.64","","90","","93.5","","90","","209.292","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu Br2 (Cu (O H)2)3","","- Br2 Cu4 H6 O6 -","- Br2 Cu4 O6 -","- Br2 Cu4 O6 -","1","0.25","","Aebi, F.","Die Kristallstruktur des basischen Kupferbromids Cu Br2 * 3(Cu (O H)2)","Helvetica Chimica Acta","1948","31","","369","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528658","9.657","","11.934","","13.868","","90","","104.14","","90","","1549.82","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Bi8 (Cr O4) O11","","- Bi8 Cr O15 -","- Bi8 Cr O15 -","- Bi32 Cr4 O60 -","4","1","","Kumada, N.; Takei, T.; Kinomura, N.; Wallez, G.","Preparation and crystal structure of a new bismuth chromate: Bi8 (Cr O4) O11","Journal of Solid State Chemistry","2006","179","","793","799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528679","5.556","","3.7627","","7.056","","90","","101.36","","90","","144.62","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ca Al2 O4","","- Al2 Ca O4 -","- Al2 Ca O4 -","- Al4 Ca2 O8 -","2","0.5","","Lazic, B.; Kahlenberg, V.; Konzett, J.; Kaindl, R.","On the polymorphism of Ca Al2 O4 - structural investigations of two high pressure modifications","Solid State Sciences","2006","8","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528706","7.66","","6.1","","6.92","","90","","113.87","","90","","295.687","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(Th (O H)2) (Cr O4) (H2 O)","","- Cr H4 O7 Th -","- Cr O7 Th -","- Cr2 O14 Th2 -","2","0.5","","Lundgren, G.; Sillen, L.G.","Die Kristallstruktur von Th (O H)2 Cr O4 H2 O. Die Th (O H)2-Kette, ein neues Strukturelement.","Naturwissenschaften","1949","36","","345","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528842","10.8513","","7.6718","","5.4406","","90","","89.909","","90","","452.924","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Pr0.79 Na0.21 Mn O3","","- Mn Na0.21 O3 Pr0.79 -","- Mn Na0.21 O3 Pr0.79 -","- Mn8 Na1.68 O24 Pr6.32 -","8","2","","Sanchez-Andujar, M.; Castro-Garcia, S.; Yanez-Vilar, S.; Senaris Rodriguez, M.A.","Charge ordering and dielectric properties in the near half-doped Pr(0.79) Na(0.21) Mn O3 perovskite","Journal of Solid State Chemistry","2008","181","","1354","1360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529302","5.0339","0.0009","37.994","0.007","7.136","0.0011","90","","110.533","0.011","90","","1278.1","0.4","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H29 Cl2 N6 O5 -","- C24 H29 Cl2 N6 O5 -","- C48 H58 Cl4 N12 O10 -","2","0.5","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","0.71073","MoKα","","0.0944","0.0751","","","0.1702","0.178","","","","","","1.188","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529622","8.91","","5.63","","10.25","","90","","115.4","","90","","464.471","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ca2 Al2 Fe (Si O4)3 (O H)","","- Al2 Ca2 Fe H O13 Si3 -","- Al2 Ca2 Fe O13 Si3 -","- Al4 Ca4 Fe2 O26 Si6 -","2","0.5","","Belov, N.V.; Rumanova, I.M.","The crystal structure of epidote Ca2 Al2 Fe Si3 O12 (O H)","Doklady Akademii Nauk SSSR","1953","89","","853","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529672","6.225","","7.127","","9.727","","90","","104.153","","90","","418.445","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","K2 Ca (S O4)2 (H2 O)","","- Ca H2 K2 O9 S2 -","- Ca H2 K2 O9 S2 -","- Ca2 H4 K4 O18 S4 -","2","0.5","","Bokii, G.B.; Pal'chik, N.A.; Antipin, M.Yu.","More precise determination of syngenite crystal structure","Trudy Instituta Geologii I Geofiziki, Akademiya Nauk SSSR, Sibirskoe Otdelenie","1978","385","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529703","6.213","","3.876","","6.821","","90","","113.18","","90","","151","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Nd (O H)2 Cl","","- Cl H2 Nd O2 -","- Cl H2 Nd O2 -","- Cl2 H4 Nd2 O4 -","2","0.5","","Bukin, V.I.","Neutron and x-ray diffraction investigation of crystalline structure neodymium hydroxocloride Nd (O H)2 Cl","Doklady Akademii Nauk SSSR","1972","207","","1332","1335","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530024","7.119","","14.176","","4.992","","90","","105.05","","90","","486.507","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","V3 Fe (As Ti3 O13) (O H)","","- As Fe H O14 Ti3 V3 -","- As Fe O14 Ti2.98 V3.02 -","- As2 Fe2 O28 Ti5.96 V6.04 -","2","0.5","","Grey, I.E.; Harris, D.C.; Madsen, I.C.","Barian tomichite, Ba0.5 (As2)0.5 Ti2 (V Fe)5 O13 (O H), its crystal structure and relationship to derbylite and tomichite","American Mineralogist","1987","72","","201","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530097","8.467","","11.372","","7.132","","90","","91.77","","90","","686.389","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Li Ga I3","","- Ga I3 Li -","- Ga I3 Li -","- Ga4 I12 Li4 -","4","1","","Hoenle, W.; Simon, A.; Miller, G.","Preparation, Crystal Structures, and Electronic Properties of Li Ga Cl3 and Li Ga I3","Journal of Solid State Chemistry","1988","75","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530279","6.226","","6.89","","8.809","","90","","107.67","","90","","360.053","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","K Mn2 O (P O4) (H P O4)","","- H K Mn2 O9 P2 -","- H K Mn2 O9 P2 -","- H2 K2 Mn4 O18 P4 -","2","0.5","","Lightfoot, P.; Cheetham, A.K.; Sleight, A.W.","Synthesis and crystal structure of K Mn2 O (P O4) (H P O4)","Journal of Solid State Chemistry","1988","73","","325","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530363","7.912","","6.383","","4.8802","","90","","107.73","","90","","234.755","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs H2 P O4","","- Cs H2 O4 P -","- Cs H2 O4 P -","- Cs2 H4 O8 P2 -","2","0.5","","Matsunaga, H.; Itoh, K.; Nakamura, E.","X-ray structural study of ferroelectric cesium dihydrogen phosphate at room temperature","Journal of the Physical Society of Japan","1980","48","","2011","2014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530429","8.619","","7.773","","9.426","","90","","100.53","","90","","620.865","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(((C F3)2 N C F N H (C F3)) (As F6)) (H F)","","- C4 H2 As F17 N2 -","- C4 As F17 N2 -","- C8 As2 F34 N4 -","2","0.5","","Minkwitz, R.; Kerbachi, R.; Nass, R.; Bernstein, D.; Preut, H.","Preparation and crystal structure of ((C F3)2 N C F N H C F3)+ (As F6)- * H F","Journal of Fluorine Chemistry","1987","37","","259","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530461","7.42","","13.678","","7.421","","90","","119.76","","90","","653.83","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bi (Fe (C N)6) (H2 O)4","","- C6 H8 Bi Fe N6 O4 -","- C6 Bi Fe N6 O4 -","- C12 Bi2 Fe2 N12 O8 -","2","0.5","","Mullica, D.F.; Perkins, H.O.; Sappenfield, E.L.","Synthesis, spectroscopic studies, and crystal and molecular structure of bismuth hexacyanoferrate(III) tetrahydrate, Bi Fe (C N)6 4(H2 O)","Inorganica Chimica Acta","1988","142","","9","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530467","7.431","","13.724","","7.429","","90","","119.95","","90","","656.459","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Sm Fe (C N)6 (H2 O)4","","- C6 H8 Fe N6 O4 Sm -","- C6 Fe N6 O4 Sm -","- C12 Fe2 N12 O8 Sm2 -","2","0.5","","Mullica, D.F.; Perkins, H.O.; Sappenfield, E.L.; Grossie, D.A.","Synthesis and structural study of samarium hexacyanoferrate (III) tetrahydrate, Sm Fe (C N)6 4(H2 O)","Journal of Solid State Chemistry","1988","74","","9","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530468","7.365","","13.653","","7.385","","90","","120.08","","90","","642.586","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Sm (Co (C N)6) (H2 O)4","","- C6 H8 Co N6 O4 Sm -","- C6 Co N6 O4 Sm -","- C12 Co2 N12 O8 Sm2 -","2","0.5","","Mullica, D.F.; Perkins, H.O.; Sappenfield, E.L.","A structural investigation of monoclinic Sm Co (C N)6 * 4(H2 O)","Journal of Solid State Chemistry","1988","74","","419","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530469","7.329","","13.689","","7.324","","90","","119.97","","90","","636.541","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Sm K (Fe (C N)6) (H2 O)3","","- C6 H6 Fe K N6 O3 Sm -","- C6 Fe K N6 O3.001 Sm -","- C12 Fe2 K2 N12 O6.002 Sm2 -","2","0.5","","Mullica, D.F.; Sappenfield, E.L.; Perkins, H.O.","X-ray diffraction investigations and spectral analyses of monoclinic Sm K Fe (C N)6 (H2 O)3","Journal of Solid State Chemistry","1989","78","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530513","12.762","","5.523","","9.499","","90","","90.61","","90","","669.495","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Li.9 Mo6 O17","","- Li0.9 Mo6 O17 -","- Li0.9 Mo6 O17 -","- Li1.8 Mo12 O34 -","2","0.5","","Onoda, M.; Toriumi, K.; Matsuda, Y.; Sato, M.","Crystal structure of lithium molybdenum purple bronze Li0.9 Mo6 O17","Journal of Solid State Chemistry","1987","66","","163","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","155637","2020-10-21","18:00:00",""
"1530529","8.358","","6.302","","11.17","","90","","106.88","","90","","562.999","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs Hg2 Br5","","- Br5 Cs Hg2 -","- Br5 Cs Hg2 -","- Br10 Cs2 Hg4 -","2","0.5","","Pakhomov, V.I.; Fedorov, P.M.; Ivanova-Korfini, I.N.","Structure of the (Hg2 Br5)(-) anion in the Cs Hg2 Br5 crystal","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","1245","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530562","10.98","","6.8","","5.36","","90","","94","","90","","399.224","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ba Fe2 Ti (Si2 O7) O (O H)2","","- Ba Fe2 H2 O10 Si2 Ti -","- Ba Fe2 O10 Si2 Ti -","- Ba2 Fe4 O20 Si4 Ti2 -","2","0.5","","Pen, C.C.; Chen, C.C.","The crystal structure of bafertisite - the new mineral discovered in China","Scientia Sinica","1963","12","","278","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530630","6.858","","10.579","","6.646","","90","","94.01","","90","","480.992","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tc (N O) (N H3)4 (H2 O) Cl2","","- Cl2 H14 N5 O2 Tc -","- Cl2 H14 N5 O2 Tc -","- Cl4 H28 N10 O4 Tc2 -","2","0.5","","Radonovich, L.J.; Hoard, J.L.","The crystal structure and molecular stereochemistry of trans-aquonitrosyl(tetraammine)technetium dichloride. Correlation of stereochemistry with bonding theory.","Journal of Physical Chemistry","1984","88","","6711","6716","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530967","6.0175","","3.343","","8.7666","","90","","102.47","","90","","172.193","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Mo.42 Ti.58)2.26 S3","","- Mo0.9492 S3 Ti1.3108 -","- Mo0.948 S3 Ti1.315 -","- Mo1.896 S6 Ti2.63 -","2","0.5","","Wada, H.; Onoda, M.","Phase relations in the Ti-Mo-S system: The structures of (Mo1-x Tix)2+y S3 and Ti3 Mo.75 S5","Journal of the Less-Common Metals","1987","135","","205","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","156209","2020-10-21","18:00:00",""
"1531031","6.23","","4.27","","8.72","","90","","91.33","","90","","231.908","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Hg Br S C N","","- Br Hg S -","- Br Hg S -","- Br2 Hg2 S2 -","2","0.5","","Zvonkova, Z.V.; Zhdanov, G.S.","The Crystal Structure of Rhodonides. The Crystal Structure of Mercury Halogen Rhodonides","Zhurnal Fizicheskoi Khimii","1952","26","","586","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531081","8.934","","5.718","","10.325","","90","","114.54","","90","","479.805","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Ca Sr Mn1.58 Al1.42 Si3 O12 (O H)","","- Al1.42 Ca H Mn1.58 O13 Si3 Sr -","- Al1.43 Ca H Mn1.57 O13 Si3 Sr -","- Al2.86 Ca2 H2 Mn3.14 O26 Si6 Sr2 -","2","0.5","","Armbruster, T.; Gutzmer, J.; Gnos, E.; Doebelin, N.; Dixon, R.; Hejny, C.; Medenbach, O.","Manganvesuvianite and tweddillite, two new Mn(3+)-silicate minerals from the Kalahari manganese fields, South Africa","Mineralogical Magazine (1969-)","2002","66","","137","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531209","8.564","","6.0387","","4.4883","","90","","98.05","","90","","229.827","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(N H4) (Ga P O4 (O H))","","- Ga H5 N O5 P -","- Ga N O5 P -","- Ga2 N2 O10 P2 -","2","0.5","","Bonhomme, F.; Thoma, S.G.; Nenoff, T.M.","Two ammonium templated gallophosphates: synthesis and structure determination from powder diffraction data of 2D and 3D-GAPON","Microporous and Mesoporous Materials","2002","53","","87","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531299","4.885","","9.673","","5.577","","90","","105.32","","90","","254.163","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- La P5 -","- La P5 -","- La2 P10 -","2","0.5","","Chen, X.; Zhu, L.-P.; Yamanaka, S.","High-pressure synthesis and structural characterization of three new polyphosphides, alpha-(Sr P3), Ba P8 and La P5","Journal of Solid State Chemistry","2003","173","","449","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531333","6.4915","","6.5618","","8.6396","","90","","107.531","","90","","350.919","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K Ce (Si S4)","","- Ce K S4 Si -","- Ce K S4 Si -","- Ce2 K2 S8 Si2 -","2","0.5","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: I. Die isotypen Verbindungen K Ce (Si S4) und Eu2 (Si S4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1327","1331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531335","6.5171","","6.5954","","8.2193","","90","","108.437","","90","","335.156","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Eu2 (Si S4)","","- Eu2 S4 Si -","- Eu2 S4 Si -","- Eu4 S8 Si2 -","2","0.5","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: I. Die isotypen Verbindungen K Ce (Si S4) und Eu2 (Si S4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1327","1331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531440","9.8719","","14.1791","","8.7184","","90","","124.37","","90","","1007.29","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Ca0.52 Na0.54) K0.15 Li4 (Al5.92 Si10.08 O32) (H2 O)13.31","","- Al5.92 Ca0.52 H26.62 K0.15 Li4 Na0.54 O45.31 Si10.08 -","- Al5.92 Ca0.52 K0.15 Li4 Na0.536 O45.314 Si10.08 -","- Al5.92 Ca0.52 K0.15 Li4 Na0.536 O45.314 Si10.08 -","1","0.25","","Gualtieri, A.F.","The structure of Li-phillipsite","Studies in Surface Science and Catalysis","2001","135","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531615","7.7303","","7.62578","","14.23174","","90","","97.832","","90","","831.129","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ba Nd2 (Ti3 O10)","","- Ba Nd2 O10 Ti3 -","- Ba Nd2 O10 Ti3 -","- Ba4 Nd8 O40 Ti12 -","4","1","","Kuang, X.-J.; Liao, F.-H.; Tian, S.-J.; Jing, X.-P.","A powder X-ray diffraction refinement of the Ba Nd2 Ti3 O10 structure","Materials Research Bulletin","2002","37","","1755","1761","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531643","17.391","","4.1539","","18.4237","","90","","90.33","","90","","1330.92","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K1.49 Bi4.72 Sb3.77 Se13","","- Bi4.72 K1.49 Sb3.77 Se13 -","- Bi4.721 K1.49 Sb3.769 Se13 -","- Bi9.442 K2.98 Sb7.538 Se26 -","2","0.5","","Kyratsi, T.; Chung Duck-Young; Kanatzidis, M.G.","Bi/Sb distribution and its consequences in solid solution members of the thermoelectric materials K2 Bi8-x Sbx Se13","Journal of Alloys Compd.","2002","338","","36","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","157165","2020-10-21","18:00:00",""
"1531646","17.418","","4.1741","","18.419","","90","","90.481","","90","","1339.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K1.5 Bi5.55 Sb2.964 Se13","","- Bi5.55 K1.5 Sb2.964 Se13 -","- Bi5.546 K1.5 Sb2.964 Se13 -","- Bi11.092 K3 Sb5.928 Se26 -","2","0.5","","Kyratsi, T.; Kanatzidis, M.G.; Chung Duck-Young","Bi/Sb distribution and its consequences in solid solution members of the thermoelectric materials K2 Bi8-x Sbx Se13","Journal of Alloys Compd.","2002","338","","36","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","157168","2020-10-21","18:00:00",""
"1531654","7.176","","10.407","","10.989","","90","","93.27","","90","","819.329","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(Rh (N O2)3 (N H3)3)","","- H9 N6 O6 Rh -","- N6 O6 Rh -","- N48 O48 Rh8 -","8","2","","Khranenko, S.P.; Baidina, I.A.; Gromilov, S.A.; Belyaev, A.V.","Synthesis and crystal structure investigation of trinitrotriamminerhodium(III) (Rh (N O2)3 (N H3)3)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2002","43","","151","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531814","7.728","","6.187","","4.81","","90","","109.15","","90","","217.255","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb (D2 P O4)","","- D2 O4 P Rb -","- D2 O4 P Rb -","- D4 O8 P2 Rb2 -","2","0.5","","Moriyoshi, C.; Fujii, T.; Itoh, K.; Komukae, M.","Structure determination of monoclinic Rb D2 P O4 in the high-temperature phase","Ferroelectrics","2002","269","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531869","7.5395","","6.3476","","10.3161","","90","","99.74","","90","","486.589","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Sr Fe3 (P O4)3 O","","- Fe3 O13 P3 Sr -","- Fe3 O13 P3 Sr -","- Fe6 O26 P6 Sr2 -","2","0.5","","Morozov, V.A.; Pokholok, K.V.; Lazoryak, B.I.; Lebedev, O.I.; Lachgar, A.; Malakho, A.P.; van Tendeloo, G.","A new iron oxophosphate Sr Fe3 (P O4)3 O with chain-like structure","Journal of Solid State Chemistry","2003","170","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531872","9.455","","5.6229","","7.4185","","90","","90.867","","90","","394.356","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K3 Eu (P O4)2","","- Eu K3 O8 P2 -","- Eu K3 O8 P2 -","- Eu2 K6 O16 P4 -","2","0.5","","Morozov, V.A.; Lazoryak, B.I.; Bobylev, A.P.; Gerasimova, N.V.; Pushkina, G.Ya.; Mikhailin, V.V.; Kirichenko, A.N.; Komissarova, L.N.","Structure and spectral properties of double phosphates and vanadates K3 Eu (E O4)2 (E = P, V)","Zhurnal Neorganicheskoi Khimii","2001","46","","805","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531875","9.8391","","5.91","","7.5203","","90","","90.855","","90","","437.25","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K3 Eu (V O4)2","","- Eu K3 O8 V2 -","- Eu K3 O8 V2 -","- Eu2 K6 O16 V4 -","2","0.5","","Morozov, V.A.; Gerasimova, N.V.; Bobylev, A.P.; Mikhailin, V.V.; Kirichenko, A.N.; Pushkina, G.Ya.; Lazoryak, B.I.; Komissarova, L.N.","Structure and spectral properties of double phosphates and vanadates K3 Eu (E O4)2 (E = P, V)","Zhurnal Neorganicheskoi Khimii","2001","46","","805","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531966","5.3529","","7.4648","","5.3506","","90","","91.502","","90","","213.728","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(La0.2 Ca0.8) Mn O3","","- Ca0.8 La0.2 Mn O3 -","- Ca0.8 La0.2 Mn O3 -","- Ca3.2 La0.8 Mn4 O12 -","4","1","","Pissas, M.; Kallias, G.; Hofmann, M.; Toebbens, D.M.","Crystal and magnetic structure of the La1-x Cax Mn O3 compound (x =0.8, 0.85)","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","65","","064413-1","064413-9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531976","10.961","","11.465","","10.984","","90","","91.27","","90","","1380","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ho S1.863 -","- Ho S1.86267 -","- Ho24 S44.704 -","24","6","","Podberezskaya, N.V.; Vasil'eva, I.G.; Pervukhina, N.V.; Belaya, S.V.; Borisov, S.V.","Crystal structures of two new holmium polysulfides in the series ofrare-earth polychalcogenides","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","741","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532029","9.55","","18.007","","5.298","","90","","102.65","","90","","888.965","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","(Na0.06 Ca0.38 Mg0.56 Mn) Mg5 (Si8 O22 (O H)2)","","- Ca0.38 H2 Mg5.56 Mn Na0.06 O24 Si8 -","- Ca0.38 Mg5.56 Mn Na0.06 O24 Si8 -","- Ca0.76 Mg11.12 Mn2 Na0.12 O48 Si16 -","2","0.5","","Papike, J.J.; Clark, J.R.; Ross, M.","Crystal-chemical characterization of clinoamphiboles based on five new structure refinements","Mineralogical Society of America: Special Papers","1969","2","","117","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532242","9.2103","","22.0936","","9.5458","","90","","108.278","","90","","1844.46","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","(Co (N H2 (C H2)2 N H2)3) (Ga3 (H2 P O4)6 (H P O4)3)","","- C6 H39 Co Ga3 N6 O36 P9 -","- C6 Co Ga3 N6 O36 P9 -","- C12 Co2 Ga6 N12 O72 P18 -","2","0.5","","Wang, Y.; Xu, R.-R.; Yu, J.-H.; Shi, Z.","Synthesis and characterization of a new layered gallium phosphate (Co (en)3) (Ga3 (H2 P O4)6 (H P O4)3) templated by cobalt complex","Journal of Solid State Chemistry","2003","170","","176","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532384","7.759","","5.782","","8.775","","90","","111.97","","90","","365.08","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","Pb2 (Al0.74 Cu0.26) ((V0.52 Cr0.26 P0.22) O4) (P O4) (O H)","","- Al0.74 Cr0.26 Cu0.26 H O9 P1.22 Pb2 V0.52 -","- Al0.74 Cr0.26 Cu0.26 O9 P1.22 Pb2 V0.52 -","- Al1.48 Cr0.52 Cu0.52 O18 P2.44 Pb4 V1.04 -","2","0.5","","Yakubovich, O.V.; Massa, V.; Pekov, I.V.","Crystal structure of the new mineral bushmakinite, Pb2 ((Al, Cu) (PO4) ((V, Cr, P) O4) (O H))","Doklady Akad. Nauk","2002","382","","388","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532423","3.701","","3.669","","7.581","","90","","103.7","","90","","100.013","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Zr (Zr0.83 Li0.17) (Si0.88 Li0.12)","","- Li0.29 Si0.88 Zr1.83 -","- Li0.29 Si0.88 Zr1.83 -","- Li0.58 Si1.76 Zr3.66 -","2","0.5","","Zatorska, G.M.; Jaskolski, M.; Dmytriv, G.S.; Bartzokas, A.; Pavlyuk, V.V.","Crystal structure of the new intermetallic compound Zr2-x Lix+y Si1-y (x=0.17, y=0.12) and its relation with the disilicide Zr Si2","Journal of Alloys Compd.","2002","346","","154","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","158135","2020-10-21","18:00:00",""
"1532700","7.649","","6.101","","8.904","","90","","112.23","","90","","384.635","","","","","","","","","","","","","13","P 1 21/m 1","-P 2yb","11","","(Pb1.924 Ba0.018 Ca0.007) (Fe0.965 Cu0.034 Zn0.009 Al0.004) ((V1.836 Si0.085 As0.016 P0.003) O7.506 (O H)1.494)","","- Al0.004 As0.016 Ba0.018 Ca0.007 Cu0.034 Fe0.965 H1.494 O9 P0.003 Pb1.924 Si0.085 V1.836 Zn0.009 -","- Al0.004 As0.016 Ba0.018 Ca0.007 Cu0.034 Fe0.965 O9 P0.003 Pb1.924 Si0.085 V1.836 Zn0.009 -","- Al0.008 As0.032 Ba0.036 Ca0.014 Cu0.068 Fe1.93 O18 P0.006 Pb3.848 Si0.17 V3.672 Zn0.018 -","2","0.5","","del Tanago, J.G.; La Iglesia, A.; Rius, J.; Fernandez Santin, S.","Calderonite, a new lead-iron-vanadate of the brackebuschite group","American Mineralogist","2003","88","","1703","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532711","5.358","","26.697","","6.576","","90","","107.226","","90","","898.454","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K Mn6 (P7 O24)","","- K Mn6 O24 P7 -","- K Mn6 O24 P7 -","- K2 Mn12 O48 P14 -","2","0.5","","Lavrik, R.V.; Nagornyi, P.G.; Shishkin, O.V.; Baumer, V.M.","Structure and synthesis of a new double phosphate K Mn6 P7 O24","Dopov. Nats. Akad. Nauk. Ukr.","2003","2003","","131","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532842","9.188","","7.508","","7.215","","90","","109.04","","90","","470.486","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","K2 (Zn Br4)","","- Br4 K2 Zn -","- Br4 K2 Zn -","- Br8 K4 Zn2 -","2","0.5","","Machida, M.; Itho, H.; Koyano, N.","Molecular dynamics simulation and X-ray structural studies of mode-coupling in monoclinic K2 Zn Br4","Journal of the Physical Society of Japan","2003","72","","2533","2538","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532853","12.105","","8.5073","","4.8736","","90","","96.145","","90","","499.004","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu2 Fe2 (Ge4 O13)","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","","Masuda, T.; Chakoumakos, B.C.; Nygren, C.L.; Imai, S.; Uchinokura, K.","A novel germanate, Cu2 Fe2 Ge4 O13, with a four tetrahedra oligomer","Journal of Solid State Chemistry","2003","176","","175","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","158859","2020-10-21","18:00:00",""
"1532908","8.882","","5.5906","","10.21","","90","","115.118","","90","","459.042","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Ca (Ca0.28 Sr0.72) (Fe0.26 Al2.74) (Si2 O7) (Si O4) O (O H)","","- Al2.74 Ca1.28 Fe0.26 H O13 Si3 Sr0.72 -","- Al2.74 Ca1.28 Fe0.26 H O13 Si3 Sr0.72 -","- Al5.48 Ca2.56 Fe0.52 H2 O26 Si6 Sr1.44 -","2","0.5","","Miyajima, H.; Matsubara, S.; Miyawaki, R.; Hirokawa, K.","Niigataite, Ca Sr Al3 (Si2 O7) (Si O4) O (O H): Sr-analogue of clinozoisite, a new member of the epidote group from the Itoigawa-Ohmi district, Niigata prefecture, central Japan","Journal of Mineralogical and Petrological Sciences","2003","98","","118","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533010","10.13","0.002","25.686","0.005","15.724","0.003","90","","96.36","0.03","90","","4066.2","1.4","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C81 H105 Mo3 O6 P5 Sm3 -","- C81 H105 Mo3 O6 P5 Sm3 -","- C162 H210 Mo6 O12 P10 Sm6 -","2","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.1889","0.1092","","","0.25","0.2946","","","","","","0.98","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533047","12.3397","","8.6976","","4.8856","","90","","95.727","","90","","521.734","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu2 Sc2 (Ge4 O13)","","- Cu2 Ge4 O13 Sc2 -","- Cu2 Ge4 O13 Sc2 -","- Cu4 Ge8 O26 Sc4 -","2","0.5","","Redhammer, G.J.; Roth, G.","Cu2 Sc2 Ge4 O13, a novel germanate isotypic with the quasi-1D compound Cu2 Fe2 Ge4 O13 between 100 and 298 K","Journal of Solid State Chemistry","2004","177","","2714","2725","","","","","","","","","","","","","","","","","","","","","","has coordinates","159130","2020-10-21","18:00:00",""
"1533079","4.471","","4.056","","8.272","","90","","102.28","","90","","146.575","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Pr Ru Si2 -","- Pr Ru Si2 -","- Pr2 Ru2 Si4 -","2","0.5","","Salamakha, P.S.; Sologub, O.L.; Rizzoli, C.; Belletti, D.; Protsyk, O.S.; Goncalves, A.P.; Almeida, M.","Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure","Journal of Alloys Compd.","2004","368","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533080","4.151","","4.057","","8.514","","90","","104.07","","90","","139.079","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Nd (Ru0.75 Ni0.25)0.8 Si2","","- Nd Ni0.2 Ru0.6 Si2 -","- Nd Ni0.2 Ru0.6 Si2 -","- Nd2 Ni0.4 Ru1.2 Si4 -","2","0.5","","Salamakha, P.S.; Rizzoli, C.; Sologub, O.L.; Protsyk, O.S.; Belletti, D.; Goncalves, A.P.; Almeida, M.","Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure","Journal of Alloys Compd.","2004","368","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533081","4.122","","4.058","","8.501","","90","","103.78","","90","","138.104","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Nd (Ru0.25 Ni0.75)0.9 Si2","","- Nd Ni0.675 Ru0.225 Si2 -","- Nd Ni0.675 Ru0.225 Si2 -","- Nd2 Ni1.35 Ru0.45 Si4 -","2","0.5","","Salamakha, P.S.; Rizzoli, C.; Almeida, M.; Sologub, O.L.; Belletti, D.; Goncalves, A.P.; Protsyk, O.S.","Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure","Journal of Alloys Compd.","2004","368","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533113","6.92","","8.15","","5.51","","90","","95","","90","","309.57","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","As Sb F8","","- As F8 Sb -","- As F8 Sb -","- As2 F16 Sb2 -","2","0.5","","Edwards, A.J.; Sills, R.J.C.","Fluoride Crystal Structures. Part XV. Arsenic Trifluoride Antimony Pentafluoride","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","942","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533140","3.9883","","10.504","","7.953","","90","","98.571","","90","","329.455","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(N H4) (H (V O) (Se O3)2)","","- H5 N O7 Se2 V -","- H5 N O7 Se2 V -","- H10 N2 O14 Se4 V2 -","2","0.5","","Emirdag-Eanes, M.; Ibers, J.A.","Synthesis and characterization of two vanadium chalcogenides, (N H4) (H (V O) (Se O3)2) and Cs4 ((V O S2)2 (mue-O)), prepared solvothermally","Journal of Alloys Compd.","2003","361","","66","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533272","12.013","","8.401","","15.999","","90","","91.13","","90","","1614.32","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Rh (N H3)5 Cl) (Pt Br6)","","- Br6 Cl H15 N5 Pt Rh -","- Br6 Cl H15 N5 Pt Rh -","- Br24 Cl4 H60 N20 Pt4 Rh4 -","4","1","","Yusenko, K.V.; Gromilov, S.A.; Baidina, I.A.; Basova, T.V.; Shubin, Yu.V.; Korenev, S.V.; Drebushchak, T.N.; Korol'kov, I.V.","Synthesis, structure and thermal decomposition of chloropentaamminerhodium(III) hexabromoplatinate(IV)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2002","43","","699","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1533278","3.884","","3.613","","7.716","","90","","103.5","","90","","105.286","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Zr2 (Li0.49 Ge0.51)","","- Ge0.51 Li0.49 Zr2 -","- Ge0.51 Li0.49 Zr2 -","- Ge1.02 Li0.98 Zr4 -","2","0.5","","Zatorska, G.M.; Pavlyuk, V.V.; Davydov, V.M.","Phase equilibria and crystal structures of the compounds in the Zr - Li - (Ge, Pb) systems at 470 K","Journal of Alloys Compd.","2004","367","","80","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","159414","2020-10-21","18:00:00",""
"1533351","4.9143","","9.6226","","5.5152","","90","","104.303","","90","","252.72","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ce P5 -","- Ce P5 -","- Ce2 P10 -","2","0.5","","Chen Xuean; Yamanaka, S.","High-pressure synthesis and crystal structures of two new polyphosphides, Na P5 and Ce P5","Journal of Alloys Compd.","2004","370","","110","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533398","6.0383","","17.481","","6.037","","90","","90.241","","90","","637.233","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Na K (Sb F5) (H2 O)1.5","","- F5 H3 K Na O1.5 Sb -","- F5 H3 K Na O1.5 Sb -","- F20 H12 K4 Na4 O6 Sb4 -","4","1","","Gerasimenko, A.V.; Kavun, V.Ya.; Sergienko, V.I.; Popov, D.Yu.; Zemnukhova, L.A.; Davidovich, R.L.","Crystal structure and dynamics of water molecules and fluoride ions in Na K Sb F5 * 1.5(H2 O) and Na Rb Sb F5 * 1.5(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2002","43","","472","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533403","6.1049","","17.976","","6.1024","","90","","90.355","","90","","669.675","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Na Rb (Sb F5) (H2 O)1.5","","- F5 H3 Na O1.5 Rb Sb -","- F5 Na O1.5 Rb Sb -","- F20 Na4 O6 Rb4 Sb4 -","4","1","","Gerasimenko, A.V.; Kavun, V.Ya.; Sergienko, V.I.; Popov, D.Yu.; Davidovich, R.L.; Zemnukhova, L.A.","Crystal structure and dynamics of water molecules and fluoride ions in Na K Sb F5 * 1.5(H2 O) and Na Rb Sb F5 * 1.5(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2002","43","","472","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533452","6.997","","9.693","","10.989","","90","","91.84","","90","","744.911","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Y (P O3)3","","- O9 P3 Y -","- O9 P3 Y -","- O36 P12 Y4 -","4","1","","Graia, M.; Driss, A.; Jouini, T.","Crystal structure of three polymorphs of Y (P O3)3","Solid State Sciences","2003","5","","393","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533485","11.605","","8.355","","15.67","","90","","106.16","","90","","1459.33","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Rh (N H3)5 Cl) (Os Cl6)","","- Cl7 H15 N5 Os Rh -","- Cl7 H15 N5 Os Rh -","- Cl28 H60 N20 Os4 Rh4 -","4","1","","Gromilov, S.A.; Korenev, S.V.; Baidina, I.A.; Korolkov, I.V.; Yusenko, K.V.","Syntheses of (Rh (N H3)5 Cl) (M Cl6) (M = Re, Os, Ir) and investigation of their thermolysis products. Crystal structure of (Rh (N H3)5 Cl) (Os Cl6)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2002","43","","527","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1533591","7.5382","","3.7934","","6.0883","","90","","91.159","","90","","174.062","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ni3 Te2 -","- Ni3 Te2 -","- Ni6 Te4 -","2","0.5","","Gulay, L.D.; Olekseyuk, I.D.","Crystal structures of the compounds Ni3 Te2, Ni3-d Te2 (d = 0.12) and Ni1.29 Te","Journal of Alloys Compd.","2004","376","","131","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533798","9.601","","13.19","","15.823","","90","","103.19","","90","","1950.92","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- K4 Pb9 -","- K4 Pb9 -","- K16 Pb36 -","4","1","","Hoch, C.; Wendorff, M.; Roehr, C.","Synthesis and crystal structure of the tetrelides A12 M17 (A = Na, K, Rb, Cs; M = Si, Ge, Sn) and A4 B9 (A = K, Rb)","Journal of Alloys Compd.","2003","361","","206","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533801","9.894","","13.406","","16.243","","90","","103.23","","90","","2097.27","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Rb4 Pb9","","- Pb9 Rb4 -","- Pb9 Rb4 -","- Pb36 Rb16 -","4","1","","Hoch, C.; Wendorff, M.; Roehr, C.","Synthesis and crystal structure of the tetrelides A12 M17 (A = Na, K, Rb, Cs; M = Si, Ge, Sn) and A4 B9 (A = K, Rb)","Journal of Alloys Compd.","2003","361","","206","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","160081","2020-10-21","18:00:00",""
"1534032","5.4624","","7.6972","","5.559","","90","","90.09","","90","","233.729","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ca ((Sb0.5 Mn0.5) O3)","","- Ca Mn0.5 O3 Sb0.5 -","- Ca Mn0.5 O3 Sb0.5 -","- Ca4 Mn2 O12 Sb2 -","4","1","","Poltavets, V.; Vidyasagar, K.; Jansen, M.","Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites","Journal of Solid State Chemistry","2004","177","","1285","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534034","5.352","","7.5199","","5.3978","","90","","91.054","","90","","217.206","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ca ((Sb0.2 Mn0.8) O3)","","- Ca Mn0.8 O3 Sb0.2 -","- Ca Mn0.8 O3 Sb0.2 -","- Ca4 Mn3.2 O12 Sb0.8 -","4","1","","Poltavets, V.; Vidyasagar, K.; Jansen, M.","Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites","Journal of Solid State Chemistry","2004","177","","1285","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534036","5.3859","","7.5387","","5.4348","","90","","91.47","","90","","220.595","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ca ((Sb0.25 Mn0.75) O3)","","- Ca Mn0.75 O3 Sb0.25 -","- Ca Mn0.75 O3 Sb0.25 -","- Ca4 Mn3 O12 Sb -","4","1","","Poltavets, V.; Vidyasagar, K.; Jansen, M.","Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites","Journal of Solid State Chemistry","2004","177","","1285","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534050","6.5865","","10.6716","","5.6699","","90","","92.59","","90","","398.122","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ce (Cr O4)2 (H2 O)2","","- Ce Cr2 H4 O10 -","- Ce Cr2 O10 -","- Ce2 Cr4 O20 -","2","0.5","","Lindgren, O.","The crystal structure of cerium(IV) dichromate dihydrate, Ce (Cr O4)2 (H2 O)2","Acta Chemica Scandinavica, Series A: (28,1974-)","1977","31","","167","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534166","9.68","","5.65","","4.685","","90","","102.6","","90","","250.061","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pb Cu (S O4) (O H)2","","- Cu H2 O6 Pb S -","- Cu O6 Pb S -","- Cu2 O12 Pb2 S2 -","2","0.5","","Araki, T.","The crystal structure of linarite, reexamined","Mineralogical Journal (Japan)","1962","3","","282","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534167","5.65","","13.628","","9.498","","90","","90.64","","90","","731.283","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(N H4) ((U O2)2 (C2 O4)2 (O H)) (H2 O)2","","- C4 H9 N O15 U2 -","- C4 N O15 U2 -","- C8 N2 O30 U4 -","2","0.5","","Artem'eva, M.Yu.; Mikhailov, Yu.N.; Serezhkin, V.N.; Gorbunova, Yu.E.; Serezhkina, L.B.","Crystal structure of N H4 ((U O2)2 (C2 O4)2 (O H)) * 2(H2 O)","Zhurnal Neorganicheskoi Khimii","2003","48","","1473","1475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534212","6.282","","6.246","","8.574","","90","","108.19","","90","","319.609","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ba Pt (O H)6 (H2 O)","","- Ba H8 O7 Pt -","- Ba O7 Pt -","- Ba2 O14 Pt2 -","2","0.5","","Bandel, G.; Platte, C.; Troemel, M.","Zur Kenntnis des Bariumhexahydroxoplatinats Ba Pt (O H)6 (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","477","","178","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534630","13.018","","4.149","","14.511","","90","","102.14","","90","","766.236","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ho2 Sb5 -","- Ho2 Sb5 -","- Ho8 Sb20 -","4","1","","Schmidt, T.; Jeitschko, W.; Altmeyer, R.O.","The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure","Journal of Solid State Chemistry","2003","173","","259","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534639","9.67","","5.64","","4.68","","90","","102.67","","90","","249.026","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pb Cu (S O4) (O H)2","","- Cu H2 O6 Pb S -","- Cu O6 Pb S -","- Cu2 O12 Pb2 S2 -","2","0.5","","Araki, T.","The crystal structure of linarite, Pb Cu S O4 (O H)2","Memoirs of the College of Science, University of Kyoto, Series B","1958","25","","69","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534649","8.275","","6.157","","6.056","","90","","91.98","","90","","308.364","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs2 Na (As O4)","","- As Cs2 Na O4 -","- As Cs2 Na O4 -","- As2 Cs4 Na2 O8 -","2","0.5","","Schneidersmann, C.; Hoppe, R.","Das erste quaternaere Alkalioxoarsenat(V): Cs2 Na (As O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","605","","67","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534673","12.987","","4.07","","13.47","","90","","98.14","","90","","704.812","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ca4 Ir8 As7","","- As7 Ca4 Ir8 -","- As7 Ca4 Ir8 -","- As14 Ca8 Ir16 -","2","0.5","","Loehken, A.; Mewis, A.","Die Kristallstrukturen von Ca4 Ir8 P7 und Ca4 Ir8 As7 sowie ihre Beziehung zum Th Cr2 Si2-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2418","2421","","","","","","","","","","","","","","","","","","","","","","has coordinates","161601","2020-10-21","18:00:00",""
"1534676","12.56","","3.945","","13.042","","90","","98.81","","90","","638.596","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ca4 Ir8 P7 -","- Ca4 Ir8 P7 -","- Ca8 Ir16 P14 -","2","0.5","","Loehken, A.; Mewis, A.","Die Kristallstrukturen von Ca4 Ir8 P7 und Ca4 Ir8 As7 sowie ihre Beziehung zum Th Cr2 Si2-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2418","2421","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534837","6.7511","","7.0532","","18.437","","90","","98.8","","90","","867.578","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb2 (Nb2 S (S2) (P S4)2)","","- Nb2 P2 Rb2 S11 -","- Nb2 P2 Rb2 S11 -","- Nb4 P4 Rb4 S22 -","2","0.5","","Gutzmann, A.; Bensch, W.","Synthesis and crystal structure of the new quaternary niobium thiophosphate Rb2 Nb2 P2 S11","Solid State Sciences","2002","4","","835","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","161872","2020-10-21","18:00:00",""
"1534971","7.7573","","7.1319","","8.37","","90","","117.397","","90","","411.127","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Zn3 (Mo2 O9)","","- Mo2 O9 Zn3 -","- Mo2 O9 Zn3 -","- Mo4 O18 Zn6 -","2","0.5","","Soehnel, T.; Reichelt, W.; Oppermann, H.; Simon, A.; Mattausch, H.J.","Zum System Zn/Mo/O. I Phasenbestand und Eigenschaften der ternaeren Zinkmolybdate; Struktur von Zn3 Mo2 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1274","1280","","","","","","","","","","","","","","","","","","","","","","has coordinates","162063","2020-10-21","18:00:00",""
"1535008","8.903","","5.748","","10.107","","90","","113.41","","90","","474.645","","","","","","","","","","","","","18","P 1 21/m 1","-P 2yb","11","","(Ca0.6 La0.2) (Ce0.5 La0.12 Nd0.15 Dy0.1 Pr0.05 Sm0.02) (Mg0.4 Fe.15 Cr0.12 Ti0.12 V0.09 Al0.12) Al Mn (Si O4) (Si2 O7) (O H) (F0.63 O.37)","","- Al1.12 Ca0.6 Ce0.5 Cr0.12 Dy0.1 F0.63 Fe0.15 H La0.32 Mg0.4 Mn Nd0.15 O12.37 Pr0.05 Si3 Sm0.02 Ti0.12 V0.09 -","- Al1.12 Ca0.6 Ce0.5 Cr0.12 Dy0.1 Fe0.15 H La0.32 Mg0.4 Mn Nd0.15 O13 Pr0.05 Si3 Sm0.02 Ti0.12 V0.09 -","- Al2.24 Ca1.2 Ce Cr0.24 Dy0.2 Fe0.3 H2 La0.64 Mg0.8 Mn2 Nd0.3 O26 Pr0.1 Si6 Sm0.04 Ti0.24 V0.18 -","2","0.5","","Sokolova, E.V.; Nadezhina, T.N.; Pautov, L.A.","Crystal structure of a new natural manganese silicate from the epidote group.","Kristallografiya","1991","36","","330","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535026","8.0445","","11.5244","","9.0825","","90","","113.14","","90","","774.277","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Na2 Mg (H2 P2 O7)2 (H2 O)4","","- H12 Mg Na2 O18 P4 -","- H12 Mg Na2 O18 P4 -","- H24 Mg2 Na4 O36 P8 -","2","0.5","","Harcharras, M.; D'Orazio, V.; Ennaciri, A.; Mattei, G.; Assaaoudi, H.; Moliterni, A.G.G.; Capitelli, F.","Crystal structure and vibrational spectra of tetrasodium dimagnesium dihydrogen diphosphate octahydrate Na4 Mg2 (H2 P2 O7)4 . 8(H2 O)","Journal of Solid State Chemistry","2003","172","","160","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1535073","9.547","","3.693","","12.445","","90","","106.68","","90","","420.312","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Gd8 B2 C4 Br6","","- C4 B2 Br6 Gd8 -","- C4 B2 Br6 Gd8 -","- C4 B2 Br6 Gd8 -","1","0.25","","Mattausch, H.J.; Simon, A.","Rare earth metal boride carbide bromides. A system of building blocks","Angewandte Chemie (Edition international)","1995","34","","1633","1635","","","","","","","","","","","","","","","","","","","","","","has coordinates","162257","2020-10-21","18:00:00",""
"1535109","5.3304","","4.0305","","7.5445","","90","","100.75","","90","","159.243","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","La Cl (C N2)","","- C Cl La N2 -","- C Cl La N2 -","- C2 Cl2 La2 N4 -","2","0.5","","Srinivasan, R.; Tragl, S.; Glaser, J.; Meyer, H.J.","Lb Cl (C N)2 with Ln = La, Ge, and Pr: Synthesis and structure of a new lanthanide chloride cyanamide related to the Pb F Cl-type structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","479","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535130","10.79533","","6.33128","","8.36732","","90","","112.212","","90","","529.452","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs3 D (Se O4)2","","- Cs3 D O8 Se2 -","- Cs3 D O8 Se2 -","- Cs6 D2 O16 Se4 -","2","0.5","","Belushkin, A.V.; Shuvalov, L.A.; Ibberson, R.M.","Refinement of Cs3 D (Se O4)2 low-temperature phase using high resolution powder neutron diffraction","Kristallografiya","1993","38","","63","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535137","8.206","","11.332","","9.492","","90","","103.94","","90","","856.669","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2 Pr4 Cl9 O2","","- Cl9 K2 O2 Pr4 -","- Cl9 K2 O2 Pr4 -","- Cl18 K4 O4 Pr8 -","2","0.5","","Mattfeld, H.; Meyer, G.","Na2(Pr4O2)Cl9 and K2(PR4O2)Cl9, the first reduced quaternary praseodymium chlorides with anti-SiS2 analogous (Pr4/2O) chains","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","85","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","162339","2020-10-21","18:00:00",""
"1535229","8.7","","5.79","","9.78","","90","","108.9","","90","","466.087","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Mn1.7 Ca0.3) (Al2.3 Mg0.3 Mn0.3 Fe0.1) (Si3 O10.7) (O H)3.3","","- Al2.3 Ca0.3 Fe0.1 H3.3 Mg0.3 Mn2 O14 Si3 -","- Al2.3 Ca0.3 Fe0.1 H3 Mg0.3 Mn2 O14 Si3 -","- Al4.6 Ca0.6 Fe0.2 H6 Mg0.6 Mn4 O28 Si6 -","2","0.5","","Mellini, M.; Merlino, S.; Pasero, M.","X-ray and HRTEMN study of sursassite:Crystal structure stacking disorder, and sursassite-pumpellyite intergrowth","Physics and Chemistry of Minerals (Germany)","1984","10","","99","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535343","9.888","","13.393","","16.224","","90","","102.987","","90","","2093.59","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Pb9 Rb4 -","- Pb9 Rb4 -","- Pb36 Rb16 -","4","1","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535488","5.4541","","7.5813","","6.502","","90","","93.82","","90","","268.255","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Li4 (O H)3 Br","","- Br H3 Li4 O3 -","- Br H3 Li4 O3 -","- Br2 H6 Li8 O6 -","2","0.5","","Hoennerscheid, A.; Nuss, J.; Muehle, C.; Jansen, M.","Die Kristallstrukturen der Hydroxyhalogenide Li4 (O H)3 Br und Li4 (O H)3 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","317","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535701","6.954","","8.637","","5.771","","90","","104.93","","90","","334.915","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Y2 (W4 O14) (O H)2 (H2 O)2","","- H6 O18 W4 Y2 -","- O18 W4 Y2 -","- O18 W4 Y2 -","1","0.25","","Davis, R.J.; Smith, G.W.","Yttrotungstite","Mineralogical Magazine (1969-)","1971","38","","261","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","163148","2020-10-21","18:00:00",""
"1535714","17.97","","4.11","","17.62","","90","","94.3","","90","","1297.69","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Cu Pb3 Bi7 Se4 S10","","- Bi7 Cu Pb3 S10 Se4 -","- Bi7 Cu Pb3 S10 Se4 -","- Bi14 Cu2 Pb6 S20 Se8 -","2","0.5","","Mumme, W.G.","The crystal structure of nordstroemite Cu Pb3 Bi7 (S, Se)14, from Falun, Sweden: A member of the junoite homologous series","Canadian Mineralogist","1980","18","","343","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535784","6.79","","17.581","","7.735","","90","","94.5","","90","","920.519","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Ba2 (Al4 Si12 O32) (H2 O)9.76","","- Al4 Ba2 H19.52 O41.76 Si12 -","- Al4 Ba2 O41.76 Si12 -","- Al4 Ba2 O41.76 Si12 -","1","0.25","","Cabellal, R.; Lucchetti, G.; Palenzona, A.; Quartieri, S.; Vezzalini, G.","First occurence of a Ba-dominant brewsterite: structural features","European Journal of Mineralogy (1,1989-)","1993","5","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535814","8.878","","5.692","","10.201","","90","","115.4","","90","","465.663","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ca2 Al2 Mn (Si3 O12) (O H)","","- Al2 Ca2 H Mn O13 Si3 -","- Al2 Ca2 H Mn O13 Si3 -","- Al4 Ca4 H2 Mn2 O26 Si6 -","2","0.5","","Dollase, W.A.","Crystal structure and cation ordering of piemontite","American Mineralogist","1969","54","","710","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535822","9.4682","","11.3837","","9.123","","90","","93.84","","90","","981.098","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(N H4)3 (Re3 Cl12)","","- Cl12 H12 N3 Re3 -","- Cl12 H12 N3 Re3 -","- Cl24 H24 N6 Re6 -","2","0.5","","Irmler, M.; Moeller, A.; Meyer, G.","(NH4)3(Re3Cl12): Synthese, Kristallstruktur und Thermolyse","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","604","","7","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535846","4.55","","3.76","","6.2","","90","","95.1","","90","","105.65","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","K (N D2)","","- D2 K N -","- K N -","- K2 N2 -","2","0.5","","Nagib, M.; von Osten, E.; Jacobs, H.","Neutronenbeugung an drei Modifikationen des Kaliumdeuteroamids K N D2","Atomkernenergie","1977","29","","303","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535857","8.98","","5.75","","10.23","","90","","115","","90","","478.735","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","(Ca1.2 Ce0.8) Fe Al2 O (Si2 O7) (Si O4) (O H)","","- Al2 Ca1.2 Ce0.8 Fe H O13 Si3 -","- Al2 Ca1.2 Ce0.8 Fe O13 Si3 -","- Al4 Ca2.4 Ce1.6 Fe2 O26 Si6 -","2","0.5","","Ueda, T.","The crystal structure of Allanite, (O H) (Ca Ce)2 (Fe(III) Fe(II)) Al2 O (Si2 O7) (Si O4)","Memoirs of the College of Science, University of Kyoto, Series B","1955","22","","145","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535934","6.04","","8.2","","5.94","","90","","96.5","","90","","292.305","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","K2 (Mn F5) (H2 O)","","- F5 H2 K2 Mn O -","- F5 K2 Mn O -","- F10 K4 Mn2 O2 -","2","0.5","","Edwards, A.J.","Fluoride crystal structures. Part XVII. Dipotassium pentafluoromanganate(III) hydrate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","2653","2655","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536129","5.587","","6.062","","6.91","","90","","94.5","","90","","233.309","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu4 (N O3)2 (O H)6","","- Cu4 H6 N2 O12 -","- Cu4 N2 O12 -","- Cu4 N2 O12 -","1","0.25","","Nowacki, W.; Scheidegger, R.","Die Kristallstruktur des monoklinen basischen Kupfernitrats","Experientia","1951","7","","454","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536315","9.2305","","4.0866","","15.2937","","90","","92.468","","90","","576.364","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","In5 Se5 Cl","","- Cl In5 Se5 -","- Cl In5 Se5 -","- Cl2 In10 Se10 -","2","0.5","","Deiseroth, H.J.; Reiner, C.; Xhaxhiu, K.; Schlosser, M.; Kienle, L.","X-ray and transmission electron microscopy investigations of the new solids In5 S5 Cl, In5 Se5 Cl, In5 S5 Br and In5 Se5 Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2319","2328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536318","8.9265","","3.9062","","14.951","","90","","93.476","","90","","520.363","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","In5 S5 Cl","","- Cl In5 S5 -","- Cl In5 S5 -","- Cl2 In10 S10 -","2","0.5","","Deiseroth, H.J.; Kienle, L.; Reiner, C.; Xhaxhiu, K.; Schlosser, M.","X-ray and transmission electron microscopy investigations of the new solids In5 S5 Cl, In5 Se5 Cl, In5 S5 Br and In5 Se5 Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2319","2328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536720","7.437","","17.24","","13.8","","90","","90.44","","90","","1769.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb2 (Sb8 O13)","","- O13 Rb2 Sb8 -","- O13 Rb2 Sb8 -","- O52 Rb8 Sb32 -","4","1","","Emmerling, F.; Roehr, C.","Die Oxoantimonate(III) Rb2 Sb8 O13 und Cs2 Sb22 O37: neue Schicht- und Gerueststrukturen mit ""lone-pair""-Kationen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1218","1225","","","","","","","","","","","","","","","","","","","","","","has coordinates","164548","2020-10-21","18:00:00",""
"1536846","5.361","","6.906","","12.556","","90","","119.8","","90","","403.391","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ba Mn2 (Ti O) (Si2 O7) (O H)2","","- Ba H2 Mn2 O10 Si2 Ti -","- Ba Mn2 O10 Si2 Ti -","- Ba2 Mn4 O20 Si4 Ti2 -","2","0.5","","Rastsvetaeva, R.K.; Tamazyan, R.A.; Sokolova, E.V.; Belakovskii, D.I.","Crystal structures of two modifications of natural Ba, Mn-titanium silicate.","Kristallografiya","1991","36","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536918","8.609","","5.904","","11.673","","90","","105.74","","90","","571.062","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Cs Ca (H Se O4)3","","- Ca Cs H3 O12 Se3 -","- Ca Cs O12 Se3 -","- Ca2 Cs2 O24 Se6 -","2","0.5","","Zakharov, M.A.; Troyanov, S.I.; Kemnitz, E.","Calcium leaching from glass in selenic acid. The crystal structure of calcium hydrogen selenates: Ca (H Se O4)2 * H2 O and Cs Ca (H Se O4)3","Zhurnal Neorganicheskoi Khimii","2004","49","","1061","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537212","16.998","","4.0834","","17.957","","90","","90.218","","90","","1246.38","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2.03 Bi7.98 Se2.97 S10.03","","- Bi7.98 K2.03 S10.03 Se2.97 -","- Bi7.985 K2.024 S10.03 Se2.97 -","- Bi15.97 K4.048 S20.06 Se5.94 -","2","0.5","","Kyratsi, T.; Kanatzidis, M.G.","Synthesis, crystallographic studies and characterization of K2 Bi8 Se13-x Sx solid solutions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2222","2228","","","","","","","","","","","","","","","","","","","","","","has coordinates","165241","2020-10-21","18:00:00",""
"1537216","17.343","","4.1544","","18.324","","90","","90.214","","90","","1320.23","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2.05 Bi7.97 Se8.89 S4.11","","- Bi7.97 K2.05 S4.11 Se8.89 -","- Bi7.954 K2.05 S4.107 Se8.893 -","- Bi15.908 K4.1 S8.214 Se17.786 -","2","0.5","","Kyratsi, T.; Kanatzidis, M.G.","Synthesis, crystallographic studies and characterization of K2 Bi8 Se13-x Sx solid solutions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2222","2228","","","","","","","","","","","","","","","","","","","","","","has coordinates","165245","2020-10-21","18:00:00",""
"1537219","17.253","","4.1357","","18.201","","90","","90.085","","90","","1298.7","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2.02 Bi7.99 Se6.96 S6.04","","- Bi7.99 K2.02 S6.04 Se6.96 -","- Bi7.989 K2.02 S6.038 Se6.962 -","- Bi15.978 K4.04 S12.076 Se13.924 -","2","0.5","","Kyratsi, T.; Kanatzidis, M.G.","Synthesis, crystallographic studies and characterization of K2 Bi8 Se13-x Sx solid solutions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2222","2228","","","","","","","","","","","","","","","","","","","","","","has coordinates","165248","2020-10-21","18:00:00",""
"1537250","10.291","","17.592","","12.667","","90","","108.07","","90","","2180.12","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","K8 Pt7 O6 (N O2)12 (H2 O)8","","- H16 K8 N12 O38 Pt7 -","- K8 N12 O38 Pt7 -","- K16 N24 O76 Pt14 -","2","0.5","","Lapkin, V.V.; Surazhskaya, M.D.; Larina, T.B.; Koz'min, P.A.","Crystal structure of the seven nuclei complex of platinum(II,IV) octahydrate K8 ((O2 N)6 Pt(II)3 (mue3-O)3 Pt(IV) (mue3-O)3 Pt(II)3 (N O2)6) .8(H2 O) and specific structural features of mixed valency platinum oxonitratocomplexes","Zhurnal Neorganicheskoi Khimii","1993","38","","240","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","165295","2020-10-21","18:00:00",""
"1537359","6.821","","3.741","","14.937","","90","","95.66","","90","","379.295","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Zr I2","","- I2 Zr -","- I2 Zr -","- I8 Zr4 -","4","1","","Guthrie, D.H.; Corbett, J.D.","Synthesis and Structure of an Infinite-Chain Form of Zr I2 (alpha)","Journal of Solid State Chemistry","1981","37","","256","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537389","7.132","","7.506","","6.324","","90","","98.6","","90","","334.735","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(N I3) (N H3)","","- H3 I3 N2 -","- H3 I3 N2 -","- H6 I6 N4 -","2","0.5","","Hartl, H.; Baernighausen, H.; Jander, J.","Die Kristallstruktur von Stickstofftrijodid-1-Ammoniak N J3 N H3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","357","","225","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","165512","2020-10-21","18:00:00",""
"1537463","6.43","","7.887","","6.812","","90","","106.01","","90","","332.061","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","P4 O6","","- O6 P4 -","- O6 P4 -","- O12 P8 -","2","0.5","","Jansen, M.; Voss, M.; Deiseroth, H.J.","Struktureigenschaften der Phosphoroxide im festen Aggregatzustand","Angewandte Chemie (German Edition)","1981","93","","1023","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","165642","2020-10-21","18:00:00",""
"1537474","4.85","","4.418","","6.402","","90","","97.8","","90","","135.908","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb (N H2)","","- H2 N Rb -","- H2 N Rb -","- H4 N2 Rb2 -","2","0.5","","Juza, R.; Jacobs, H.; Klose, W.","Die Kristallstrukturen der Tieftemperaturmodifikationen von Rb N H2 und K N H2","Naturwissenschaften","1962","49","","35","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537494","4.586","","3.904","","6.223","","90","","95.8","","90","","110.845","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","K (N H2)","","- H2 K N -","- H2 K N -","- H4 K2 N2 -","2","0.5","","Juza, R.; Jacobs, H.; Klose, W.","Die Kristallstrukturen der Tieftemperaturmodifikationen von Kalium- und Rubidiumamid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1965","338","","171","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537495","4.85","","4.148","","6.402","","90","","97.8","","90","","127.603","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb N H2","","- H2 N Rb -","- H2 N Rb -","- H4 N2 Rb2 -","2","0.5","","Juza, R.; Jacobs, H.; Klose, W.","Die Kristallstrukturen der Tieftemperaturmodifikationen von Kalium- und Rubidiumamid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1965","338","","171","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1537553","9.203","","6.232","","9.557","","90","","91.97","","90","","547.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu5 O (Se O3) Cl5","","- Cl5 Cu5 O4 Se -","- Cl5 Cu5 O4 Se -","- Cl10 Cu10 O8 Se2 -","2","0.5","","Krivovichev, S.V.; Filatov, S.K.; Armbruster, T.; Pankratova, O.Yu.","Crystal structure of Cu(I) Cu(II)4O (Se O3) Cl5 - a new mixed-valence copper(I/II) compound","Doklady Akad. Nauk","2004","399","","356","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537855","8.884","","5.685","","10.152","","90","","115","","90","","464.693","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Ca0.88 Mn0.12) (Ca0.69 La0.31) (Al0.69 Fe0.31) Al (Al0.15 Fe0.85) (Si3 O12) (O H)","","- Al1.84 Ca1.57 Fe1.16 H La0.31 Mn0.12 O13 Si3 -","- Al1.84 Ca1.57 Fe1.16 H La0.31 Mn0.12 O13 Si3 -","- Al3.68 Ca3.14 Fe2.32 H2 La0.62 Mn0.24 O26 Si6 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy","European Journal of Mineralogy (1,1989-)","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537858","8.845","","5.668","","10.152","","90","","115.35","","90","","459.947","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Ca.82 Mn.18) (Ca.84 La.16) (Al.82 Fe.18) Al (Al.08 Fe.92) Si3 O12 (O H)","","- Al1.9 Ca1.66 Fe1.1 H La0.16 Mn0.18 O13 Si3 -","- Al1.9 Ca1.66 Fe1.1 H La0.16 Mn0.18 O13 Si3 -","- Al3.8 Ca3.32 Fe2.2 H2 La0.32 Mn0.36 O26 Si6 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Garbarino, C.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy","European Journal of Mineralogy (1,1989-)","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538073","5.4109","","3.7488","","9.444","","90","","97.48","","90","","189.936","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Zr Se3","","- Se3 Zr -","- Se3 Zr -","- Se6 Zr2 -","2","0.5","","Furuseth, S.; Brattas, L.; Kjekshus, A.","On the crystal structures of Ti S3, Zr S3, Zr Se3, Zr Te3, Hf S3, and Hf Se3","Acta Chemica Scandinavica, Series A: (28,1974-)","1975","29","","623","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538350","5.1469","","18.4513","","10.7933","","90","","95.65","","90","","1020.03","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tl2 Ta2 (P O4)2 (H P5 O16)","","- H O24 P7 Ta2 Tl2 -","- H O24 P7 Ta2 Tl2 -","- H2 O48 P14 Ta4 Tl4 -","2","0.5","","Murashova, E.V.; Ilyukhin, A.B.; Chudinova, N.N.; Tarnopol'skii, V.A.; Yaroslavtsev, V.E.","Synthesis, crystal structure, and ionic conductivity of Tl2 Ta2 (P O4)2 (H P5 O16)","Neorganicheskie Materialy","2003","39","","1504","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538408","5.576","","6.05","","6.896","","90","","94.5","","90","","231.918","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu4 (N O3)2 (O H)6","","- Cu4 H6 N2 O12 -","- Cu4 N2 O12 -","- Cu4 N2 O12 -","1","0.25","","Nowacki, W.; Scheidegger, R.","Die Kristallstrukturbestimmungen des monoklinen, basischen Kupfernitrats Cu4 (N O3)2 (O H)6 II","Helvetica Chimica Acta","1952","35","","375","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538450","5.653","","6.157","","6.56","","90","","95.17","","90","","227.395","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu2 (O H)3 I","","- Cu2 H3 I O3 -","- Cu2 I O3 -","- Cu4 I2 O6 -","2","0.5","","Oswald, H.R.; Iitaka, Y.; Locchi, S.; Ludi, A.","Die Kristallstrukturen von Cu2 (O H)3 Br und Cu2 (O H)3 J","Helvetica Chimica Acta","1961","44","","2103","2109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538559","5.802","","5.097","","6.112","","90","","103.23","","90","","175.952","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K Li2 (O H)3","","- H3 K Li2 O3 -","- H3 K Li2 O3 -","- H6 K2 Li4 O6 -","2","0.5","","Jacobs, H.; Harbrecht, B.; Schardey, A.","Neue ternaere Alkalimetallhydroxide, M Li2 (O H)3 mit M= K, Rb, Cs sowie ein Caesiumdilithiumamid, Cs Li2 (N H2)3 - Strukturverwandtschaft zum Ba Ni O3 - Typ und zu Li O H","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","555","","43","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538560","6.032","","5.184","","6.211","","90","","103.7","","90","","188.692","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb Li2 (O H)3","","- H3 Li2 O3 Rb -","- Li2 O3 Rb -","- Li4 O6 Rb2 -","2","0.5","","Jacobs, H.; Schardey, A.; Harbrecht, B.","Neue ternaere Alkalimetallhydroxide, M Li2 (O H)3 mit M = K, Rb, Cs sowie ein Caesiumdilithiumamid, Cs Li2 (N H2)3 - Strukturverwandtschaft zum Ba Ni O3 - Typ und zu Li O H","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","555","","43","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538561","6.519","","5.271","","6.401","","90","","107.02","","90","","210.316","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs Li2 (O H)3","","- Cs H3 Li2 O3 -","- Cs H3 Li2 O3 -","- Cs2 H6 Li4 O6 -","2","0.5","","Jacobs, H.; Schardey, A.; Harbrecht, B.","Neue ternaere Alkalimetallhydroxide, M Li2 (O H)3 mit M = K, Rb, Cs sowie ein Caesiumdilithiumamid, Cs Li2 (N H2)3 - Strukturverwandtschaft zum Ba Ni O3 - Typ und zu Li O H","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","555","","43","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538674","3.965","","3.999","","5.728","","90","","104.23","","90","","88.037","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","K (O D)","","- D K O -","- D K O -","- D2 K2 O2 -","2","0.5","","Mach, B.; Jacobs, H.","Bindungsverhaeltnisse in kristallinen Phasen von Kaliumdeuterohydoxid, K O D","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","187","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538873","5.41","","3.77","","9.45","","90","","97.5","","90","","191.09","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Zr Se3","","- Se3 Zr -","- Se3 Zr -","- Se6 Zr2 -","2","0.5","","Kroenert, W.","Die Struktur des Zirkontriselenids Zr Se3","Naturwissenschaften","1958","45","","416","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539457","9.621","","5.656","","7.496","","90","","90.6","","90","","407.883","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K3 Ce (P O4)2","","- Ce K3 O8 P2 -","- Ce K3 O8 P2 -","- Ce2 K6 O16 P4 -","2","0.5","","Zah-Letho, J.J.; Houenou, P.; Eholie, R.","L'orthophosphate de cerium III et de potassium K3 Ce (P O4)2: donnees cristallographiques et structurales","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1988","307","","1177","1179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539513","5.14","","6.1","","5.3","","90","","90.5","","90","","166.17","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Li4 Si O4","","- Li4 O4 Si -","- Li3.9999 O4 Si -","- Li7.9998 O8 Si2 -","2","0.5","","Voellenkle, H.; Wittmann, A.; Nowotny, H.","Die Kristallstruktur von Li4 Si O4","Monatshefte fuer Chemie (-108,1977)","1968","99","","1360","1371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539682","12.1787","","3.7412","","6.5249","","90","","107.05","","90","","284.227","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Ti O2","","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","1","","Feist, T.P.; Davies, P.K.","The soft chemical synthesis of Ti O2 (B) from layered titanates","Journal of Solid State Chemistry","1992","101","","275","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539965","4.48","","31.92","","4.22","","90","","117.83","","90","","533.668","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb6.5 As3.5 S11.75","","- As3.5 Pb6.5 S10 -","- As3.5 Pb6.5 S10 -","- As3.5 Pb6.5 S10 -","1","0.25","","Wuensch, B.J.; Nowacki, W.","The substructure of the sulfosalt jordanite","Schweizerische Mineralogische und Petrographische Mitteilungen","1966","46","","89","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","169074","2020-10-21","18:00:00",""
"1540016","11.726","","6.829","","6.337","","90","","95.27","","90","","505.302","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ba2 P7 Cl","","- Ba2 Cl P7 -","- Ba2 Cl P7 -","- Ba4 Cl2 P14 -","2","0.5","","von Schnering, H.G.; Menge, G.","Dibariumheptaphosphidchlorid Ba2 P7 Cl, eine Verbindung mit dem polycyklischen Anion P7(3-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","481","","33","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540262","8.399","","6.247","","6.148","","90","","92.66","","90","","322.229","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs2 Na (V O4)","","- Cs2 Na O4 V -","- Cs2 Na O4 V -","- Cs4 Na2 O8 V2 -","2","0.5","","Kissel, J.; Hoppe, R.","Ein neues Orthovanadate(V): Cs2 Na (V O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","587","","29","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540319","7.8909","","4.2489","","13.423","","90","","91.6","","90","","449.866","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","La2 Br5","","- Br5 La2 -","- Br5 La2 -","- Br10 La4 -","2","0.5","","Kraemer, K.; Urland, W.; Schulze, M.; Schleid, T.; Meyer, G.","Three bromides of lanthanum: La Br2, La2 Br5, and La Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","575","","61","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","169577","2020-10-21","18:00:00",""
"1540369","6.514","","3.327","","11.61","","90","","107.12","","90","","240.464","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Cu2 V3 S6)1.333","","- Cu2.666 S7.998 V3.999 -","- Cu2.6 S8 V4 -","- Cu2.6 S8 V4 -","1","0.25","","le Nagard, N.; Collin, G.; Gorochov, O.","Structure cristalline et proprietes physiques de Cu0.65 VS2","Materials Research Bulletin","1979","14","","155","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","169634","2020-10-21","18:00:00",""
"1540401","8.281","0.0004","10.292","0.0003","11.4621","0.001","90","","102.607","0.005","90","","953.34","0.1","150","1","150","1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 B Cl3 N6 P3 Ti -","- C12 H11 B Cl3 N6 P3 Ti -","- C24 H22 B2 Cl6 N12 P6 Ti2 -","2","0.5","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0256","0.0219","","","0.0546","0.0572","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540457","5.8762","0.0009","23.96","0.002","12.4969","0.0012","90","","91.956","0.01","90","","1758.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H56 Cl2 N10 -","- C31 H56 Cl1.9999 N10 -","- C62 H112 Cl3.9998 N20 -","2","0.5","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.128","0.0788","","","0.2","0.2294","","","","","","1.051","","","","has coordinates,has disorder","175913","2020-10-21","18:00:00",""
"1540464","7.6473","0.0009","12.5571","0.0015","15.1719","0.0018","90","","92.552","0.002","90","","1455.5","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/m 1","-P 2yb","11","jonsc15","[(4-Me-t-BuPOCOP)Ni-NCMe]+ [BF4]-","","- C25 H44 B F4 N Ni O2 P2 -","- C25 H44 B F4 N Ni O2 P2 -","- C50 H88 B2 F8 N2 Ni2 O4 P4 -","2","0.5","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0588","0.0389","","","0.0817","0.0896","","","","","","1.029","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540562","10.47242","0.00008","19.20658","0.00014","10.61743","0.00009","90","","94.0778","0.0007","90","","2130.18","0.03","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 Dy N2 O P2 Si2 -","- C42 H53 Dy N2 O P2 Si2 -","- C84 H106 Dy2 N4 O2 P4 Si4 -","2","0.5","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0197","0.0193","","","0.0494","0.0496","","","","","","1.043","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540896","5.384","","7.55","","8.1911","","90","","92.46","","90","","332.655","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Nd (Ta3 O9)","","- Nd O9 Ta3 -","- Nd O9 Ta3 -","- Nd2 O18 Ta6 -","2","0.5","","Schaffrath, U.; Steinmann, G.; Gruehn, R.","Zur Darstellung und Struktur von M1-LnTa3O9 (Ln= Pr, Nd). Roentgenographische und elektronenmikroskopische Untersuchungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","565","","54","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540897","5.4051","","7.568","","8.1964","","90","","92.38","","90","","334.991","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pr (Ta3 O9)","","- O9 Pr Ta3 -","- O9 Pr Ta3 -","- O18 Pr2 Ta6 -","2","0.5","","Schaffrath, U.; Gruehn, R.; Steinmann, G.","Zur Darstellung und Struktur von M1-LnTa3O9 (Ln= Pr, Nd). Roentgenographische und elektronenmikroskopische Untersuchungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","565","","54","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540907","11.162","","3.9024","","10.897","","90","","108.87","","90","","449.147","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Tm2 S3","","- S3 Tm2 -","- S3 Tm2 -","- S12 Tm8 -","4","1","","Schleid, T.; Lissner, F.","Single crystals of F - Tm2 S3 and T - Yb2 S3","Journal of Alloys Compd.","1992","189","","69","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","172086","2020-10-21","18:00:00",""
"1541050","6.9944","","6.8712","","5.0146","","90","","92.27","","90","","240.812","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Li Fe Cl (Mo O4)","","- Cl Fe Li Mo O4 -","- Cl Fe Li Mo O4 -","- Cl2 Fe2 Li2 Mo2 O8 -","2","0.5","","Torardi, C.C.; Reiff, W.M.; Lazar, K.; Prince, E.","Synthesis, structure and low temperature magnetism of the new lithium and sodium insertion compounds: Li Fe(II) Cl Mo O4 and Na Fe(II) Cl Mo O4","Journal of Physics and Chemistry of Solids","1986","47","","741","750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541104","8.123","","3.875","","4.008","","90","","104.24","","90","","122.282","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Li Tm2 Ge4","","- Ge4 Li Tm2 -","- Ge4 Li Tm2 -","- Ge4 Li Tm2 -","1","0.25","","Pavlyuk, V.V.; Sobolev, A.N.; Bodak, O.I.","Crystal structure of Tm Li1-x Ge2 (x= 0.5)","Soviet Physics, Crystallography (= Kristallografiya)","1991","36","","493","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541655","8.719","","5.808","","9.813","","90","","109","","90","","469.856","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Mn1.65 Ca0.35) H3.5 Al2 (Mg0.39 Al0.16 Mn0.33 Fe0.12) (Si O4)3 O2","","- Al2.16 Ca0.35 Fe0.12 H3.5 Mg0.39 Mn1.98 O14 Si3 -","- Al2.16 Ca0.35 Fe0.12 Mg0.39 Mn1.98 O14 Si3 -","- Al4.32 Ca0.7 Fe0.24 Mg0.78 Mn3.96 O28 Si6 -","2","0.5","","Allmann, R.","Die Struktur des Sursassits und ihre Beziehung zur Pumpellyit- und Ardennitstruktur","Fortschritte der Mineralogie, Beiheft","1984","62","","3","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541685","9.9409","","18.837","","10.1249","","90","","101.917","","90","","1855.09","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","(K6 (Ta4 Te4 O (C N)12)) (K O H) (H2 O)4","","- C12 H9 K7 N12 O6 Ta4 Te4 -","- C12 K7 N12 O6 Ta4 Te4 -","- C24 K14 N24 O12 Ta8 Te8 -","2","0.5","","Fedin, V.P.; Fenske, D.; Kalinina, I.V.; Virovets, A.V.","Synthesis, structures and properties of the niobium and tantalum telluride cubane clusters (M4 (mue4-O) (mue3-Te)4 (C N)12)(6-) (M = Nb or Ta)","Izvestiya Akad. Nauk, Seriya Khimicheskaya","2001","50","","892","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","173101","2020-10-21","18:00:00",""
"1541722","6.2594","","11.9975","","8.475","","90","","107.18","","90","","608.051","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","((C O)2 (C F2) (Fe (C O)3)2)","","- C9 F2 Fe2 O8 -","- C9 F2 Fe2 O8 -","- C18 F4 Fe4 O16 -","2","0.5","","Petz, W.; Weller, F.; Barthel, A.; Reinhold, J.; Mealli, C.","Preparation, spectroscopic properties, and crystal structures of Fe2 (C O)6 (mue-(C O)) (mue-(C F2))2, Fe2 (C O)6 (mue-(C O))2 (mue-(C F2)), and Fe2 (C O)6 (mue-(C F2)) (P Ph3)2 - theoretical studies of methylenic carbon bridges","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1859","1869","","","","","","","","","","","","","","","","","","","","","","has coordinates","173172","2020-10-21","18:00:00",""
"1542059","8.122","","11.341","","9.376","","90","","106.51","","90","","828.031","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na2 Pr4 Cl9 O2","","- Cl9 Na2 O2 Pr4 -","- Cl9 Na2 O2 Pr4 -","- Cl18 Na4 O4 Pr8 -","2","0.5","","Mattfeld, H.; Meyer, G.","Na2 (Pr4 O2) Cl9, the first reduced quaternary praseodymium chloride with anti-SiS2 analogous Pr4/2-chains","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","85","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","173990","2020-10-21","18:00:00",""
"1542087","8.98","","5.75","","10.23","","90","","115","","90","","478.735","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Al2 Ca Fe Ce (Si2 O7) (Si O4) O (O H)","","- Al2 Ca Ce Fe H O13 Si3 -","- Al2 Ca Ce Fe O13 Si3 -","- Al4 Ca2 Ce2 Fe2 O26 Si6 -","2","0.5","","Rumanova, I.M.; Nikoleva, T.V.","Crystal structure of orthite","Kristallografiya","1959","4","","829","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542143","7.6","","7.6","","7.6","","90","","90","","90","","438.976","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ca (Ti O3)","","- Ca O3 Ti -","- Ca O3 Ti -","- Ca8 O24 Ti8 -","8","2","","Naray-Szabo, S.","Der Strukturtyp des Perowskits (Ca Ti O3)","Naturwissenschaften","1943","31","","202","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542233","7.1816","","5.7848","","8.0528","","90","","102.395","","90","","326.749","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb S O4 (Pb O)2","","- O6 Pb3 S -","- O6 Pb3 S -","- O12 Pb6 S2 -","2","0.5","","Mentzen, B.F.; Latrach, A.; Garnier, P.; Boher, P.; Bouix, J.","Structure cristalline de la phase haute temperature de Pb S O4 * 2 Pb O a 973K","Materials Research Bulletin","1984","19","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542401","8.2013","0.0007","18.6785","0.0017","8.4618","0.0008","90","","118.833","0.001","90","","1135.55","0.18","100","1","100","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H34 Br2 U -","- C22 H34 Br2 U -","- C44 H68 Br4 U2 -","2","0.5","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.029","0.0252","","","0.0663","0.0741","","","","","","1.361","","","","has coordinates","175834","2020-10-21","18:00:00",""
"1542454","6.1889","0.0018","6.614","0.002","7.835","0.002","90","","93.503","0.009","90","","320.11","0.16","120","2","120.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-Bromo-5-methylpyridine","","- C6 H6 Br N -","- C6 H6 Br N -","- C12 H12 Br2 N2 -","2","0.5","SU4009","Roy, Mrittika; Golen, James A.; Manke, David R.","2-Bromo-5-methylpyridine","IUCrData","2016","1","1","x160090","","10.1107/S2414314616000900","","","0.71073","MoKα","","0.0273","0.0228","","","0.0556","0.0596","","","","","","1.0987","","","","has coordinates,has Fobs","177501","2020-10-21","18:00:00",""
"1542877","10.216","0.003","8.507","0.002","11.445","0.004","90","","101.807","0.017","90","","973.6","0.5","110","","110","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Tetramethylammonium trifluoromethanesulfonate","","- C5 H12 F3 N O3 S -","- C5 H12 F3 N O3 S -","- C20 H48 F12 N4 O12 S4 -","4","1","ZQ4003","Bourque, Jeremy L.; Baines, Kim M.","Tetramethylammonium trifluoromethanesulfonate","IUCrData","2016","1","3","x160370","","10.1107/S2414314616003709","","","0.71073","MoKα","","0.0581","0.0395","","","0.0988","0.1057","","","","","","1.059","","","","has coordinates,has Fobs","178204","2020-10-21","18:00:00",""
"1543103","10.7251","0.0002","18.7626","0.0003","11.9516","0.0002","90","","95.238","0.001","90","","2394.99","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C88 H166 N2 Na2 O4 Si4 U2 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0343","0.0305","","","0.0728","0.0762","","","","","","1.032","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543105","11.1168","0.0004","19.7384","0.0006","13.01","0.0005","90","","90.901","0.003","90","","2854.4","0.17","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H95 K O7 Si2 U -","- C55 H95 K O7 Si2 U -","- C110 H190 K2 O14 Si4 U2 -","2","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.045","0.0371","","","0.072","0.0744","","","","","","1.08","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1543342","11.0395","0.0012","6.4734","0.0007","11.1397","0.0012","90","","98.889","0.001","90","","786.52","0.15","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C7 H6 Br N3 -","- C7 H6 Br N3 -","- C28 H24 Br4 N12 -","4","1","HB4043","Bouayad, Kaoutar; Kandri Rodi, Youssef; El Ghadraoui, El Houcine; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160766","","10.1107/S2414314616007665","","","0.71073","MoKα","","0.0524","0.0348","","","0.0842","0.0901","","","","","","0.994","","","","has coordinates,has Fobs","183058","2020-10-21","18:00:00",""
"1543786","10.889","0.0004","13.3104","0.0006","13.9583","0.0006","90","","106.526","0.002","90","","1939.5","0.14","90","0.5","90","0.5","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C61 H32 O3 -","- C61 H32 O3 -","- C122 H64 O6 -","2","0.5","","Kumarasinghe, K G Upul R; Fronczek, Frank R.; Valle, Henry U.; Sygula, Andrzej","Bis-corannulenoanthracene: An Angularly Fused Pentacene as a Precursor for Barrelene-Tethered Receptors for Fullerenes.","Organic letters","2016","18","13","3054","3057","10.1021/acs.orglett.6b01049","","","1.54184","CuKα","","0.0509","0.046","","","0.1381","0.1445","","","","","","1.043","","","","has coordinates,has disorder","184875","2020-10-21","18:00:00",""
"1544425","7.7418","0.0006","7.77073","0.00006","14.859","0.001","90","","97.51","0.01","90","","886.24","0.09","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","KCa2Nb3O10","","","- Ca2 K Nb3 O10 -","- Ca2 K Nb3 O10 -","- Ca8 K4 Nb12 O40 -","4","1","","Tokumitsu, T.; Toda, S.; Aoyagi, T.; Sakuraba, D.; Uematsu, K.; Sato, M.","Powder neutron diffraction study of layered perovskite, KCa2Nb3O10","Journal of the Ceramic Society of Japan","2006","114","","795","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","187724","2020-10-21","18:00:00",""
"1544525","8.0644","0.0003","6.941","0.0002","8.6192","0.0003","90","","105.039","0.004","90","","465.94","0.03","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4-Azaniumyl-5-methoxy-2-methylbenzenesulfonate","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C16 H22 N2 O8 S2 -","2","0.5","SU4094","Kennedy, Alan R.; Silva de Moraes, Lygia","4-Ammonio-5-methoxy-2-methylbenzenesulfonate","IUCrData","2016","1","11","x161778","","10.1107/S2414314616017788","","","0.71073","MoKα","","0.0315","0.0289","","","0.0792","0.0813","","","","","","1.098","","","","has coordinates,has Fobs","188338","2020-10-21","18:00:00",""
"1544866","8.8815","0.0006","5.5956","0.0005","10.1532","0.0005","90","","115.159","0.002","90","","456.72","0.06","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","[Ca][Ca0.86Sr0.14][Al][Al][Al0.43Cr0.09Fe0.48]Si3O12(OH)","","chromian epidote","- Al2.43 Ca1.86 Cr0.09 Fe0.48 H O13 Si3 Sr0.14 -","- Al2.43 Ca1.86 Cr0.09 Fe0.48 O13 Si3 Sr0.14 -","- Al4.86 Ca3.72 Cr0.18 Fe0.96 O26 Si6 Sr0.28 -","2","0.5","","Nagashima, M.; Akasaka, M.; Kyono, A.; Makino, K.; Ikeda, K.","Distribution of chromium among the octahedral sites in chromian epidote from Iratsu, central Shikoku, Japan Sample: CrEp1","Journal of Mineralogical and Petrological Sciences","2007","102","","240","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","189383","2020-10-21","18:00:00",""
"1544867","8.9165","0.0004","5.6226","0.0002","10.1728","0.0005","90","","115.237","0.0009","90","","461.33","0.03","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","[Ca][Ca0.9Sr0.1][Al0.86Cr0.14][Al][Al0.34Cr0.17Fe0.49]Si3O12(OH)","","chromian epidote","- Al2.2 Ca1.9 Cr0.17 Fe0.49 H O13 Si3 Sr0.1 -","- Al2.2 Ca1.9 Cr0.31 Fe0.49 O13 Si3 Sr0.1 -","- Al4.4 Ca3.8 Cr0.62 Fe0.98 O26 Si6 Sr0.2 -","2","0.5","","Nagashima, M.; Akasaka, M.; Kyono, A.; Makino, K.; Ikeda, K.","Distribution of chromium among the octahedral sites in chromian epidote from Iratsu, central Shikoku, Japan Sample: CrEp2","Journal of Mineralogical and Petrological Sciences","2007","102","","240","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","189384","2020-10-21","18:00:00",""
"1544868","8.895","0.002","5.61","0.001","10.146","0.002","90","","115.177","0.002","90","","458.2","0.16","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","[Ca][Ca0.88Sr0.12][Al0.9Cr0.1][Al][Al0.37Cr0.12Fe0.51]Si3O12(OH)","","chromian epidote","- Al2.27 Ca1.88 Cr0.22 Fe0.51 H O13 Si3 Sr0.12 -","- Al2.27 Ca1.88 Cr0.22 Fe0.51 O13 Si3 Sr0.12 -","- Al4.54 Ca3.76 Cr0.44 Fe1.02 O26 Si6 Sr0.24 -","2","0.5","","Nagashima, M.; Akasaka, M.; Kyono, A.; Makino, K.; Ikeda, K.","Distribution of chromium among the octahedral sites in chromian epidote from Iratsu, central Shikoku, Japan Sample: CrEp3","Journal of Mineralogical and Petrological Sciences","2007","102","","240","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","189385","2020-10-21","18:00:00",""
"1545328","9.1592","0.0018","6.7731","0.0012","16.695","0.003","90","","100.414","0.009","90","","1018.6","0.3","273","","273","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C50 H50 N2 O4 -","2","0.5","","Kaida, Hiroyuki; Goya, Tsuyoshi; Nishii, Yuji; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Construction of Bisbenzofuro[2,3-b:3',2'-e]pyridines by Palladium-Catalyzed Double Intramolecular Oxidative C-H/C-H Coupling.","Organic letters","2017","19","5","1236","1239","10.1021/acs.orglett.7b00323","","","0.71075","MoKα","","0.073","0.0567","","","0.1337","0.1447","","","","","","1.074","","","","has coordinates","193635","2020-10-21","18:00:00",""
"1545569","11.072","0.001","7.012","0.001","6.1096","0.0008","90","","100.98","0.01","90","","465.65","0.1","","","295","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C3 H14 Al2 F3 N2 O6 P -","- C3 Al2 F3 N2 O6 P -","- C6 Al4 F6 N4 O12 P2 -","2","0.5","","Simon, N.; Guillou, N.; Loiseau, T.; Taulelle, F.; Ferey, G.","Synthesis and ab Initio Structure Determination from X-Ray Powder Diffraction of MIL-12, a New Layered Fluoroaluminophosphate Templated with 1,3 Diaminopropane: [N2C3H12]Al2(PO4)(OHx, F5-x) (x close to 2)","Journal of Solid State Chemistry","1999","147","","92","98","10.1006/jssc.1999.8182","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.062","0.088","","","","","","","","has coordinates","194263","2020-10-21","18:00:00",""
"1545578","5.6232","0.0002","22.4248","0.0007","5.8554","0.0002","90","","93.3206","0.0016","90","","737.12","0.04","100","2","100.01","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H16 Br3 F N2 -","- C11 H16 Br3 F N2 -","- C22 H32 Br6 F2 N4 -","2","0.5","","Rosokha, Sergiy V.","Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding","Faraday Discussions","2017","203","","315","332","10.1039/C7FD00074J","","","1.54178","CuKα","","0.022","0.0208","","","0.054","0.0554","","","","","","1.051","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1545999","6.45","0.001","8.25","0.001","6.459","0.002","90","","118","0.2","90","","303.5","0.6","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- F7 Mn Tl Zr -","- F7 Mn Tl Zr -","- F14 Mn2 Tl2 Zr2 -","2","0.5","","Malika El-Ghozzi; Daniel Avignant; Maurice Guillot","Synthesis, structures, and characterization of MMnZrF7 (M = Tl, Rb, NH4, K) fluorides : an example of 7-coordination of divalent manganese","Journal of Solid State Chemistry","1994","108","","51","58","10.1006/jssc.1994.1008","","x-ray","0.71069","MoKα","","","0.038","","","0.043","","","","","","","","","","","has coordinates","196577","2020-10-21","18:00:00",""
"1546000","6.439","0.003","8.218","0.002","6.443","0.001","90","","117.9","0.2","90","","301.3","0.6","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- F7 Mn Rb Zr -","- F7 Mn Rb Zr -","- F14 Mn2 Rb2 Zr2 -","2","0.5","","Malika El-Ghozzi; Daniel Avignant; Maurice Guillot","Synthesis, structures, and characterization of MMnZrF7 (M = Tl, Rb, NH4, K) fluorides : an example of 7-coordination of divalent manganese","Journal of Solid State Chemistry","1994","108","","51","58","10.1006/jssc.1994.1008","","x-ray","0.71069","MoKα","","","0.064","","","0.074","","","","","","","","","","","has coordinates","196579","2020-10-21","18:00:00",""
"1546440","14.9611","0.0007","18.8833","0.0009","15.2457","0.0008","90","","102.243","0.0018","90","","4209.2","0.4","304","2","304","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","VNU-18","","- C23.5 H22.5 Cu3 N4.5 O13 -","- C23.5 H22.5 Cu3 N4.5 O13 -","- C94 H90 Cu12 N18 O52 -","4","1","","Truong, Thanh; Tran, Thuan V.; Le, Hanh T. N; Ha, Hiep Q.; Duong, Xuan N. T; Nguyen, Linh H. T; Doan, Tan L. H; Nguyen, Ha Lac","Five coordination Cu(II) cluster-based MOF and its application in synthesis of pharmaceuticals via Sp3C-H/N-H oxidative couplings","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00882A","","","1.54178","CuKα","","0.0722","0.0574","","","0.1755","0.1837","","","","","","1.051","","","","has coordinates","198348","2020-10-21","18:00:00",""
"1546940","5.764","0.0009","28.756","0.005","7.9313","0.0014","90","","110.631","0.01","90","","1230.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Potassium diisopropyldithiocarbamate","","- C7 H18 K N O2 S2 -","- C7 H18 K N O2 S2 -","- C28 H72 K4 N4 O8 S8 -","4","1","","DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.","Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.","Chem. Sci.","2017","","","","","10.1039/C7SC02727C","","","0.71073","MoKα","","0.0886","0.0521","","","0.0992","0.1115","","","","","","1.039","","","","has coordinates","200155","2020-10-21","18:00:00",""
"1547649","3.8105","0.0003","20.8028","0.0016","10.3896","0.001","90","","96.843","0.008","90","","817.71","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H12 B3 F3 O3 -","- C18 H12 B3 F3 O3 -","- C36 H24 B6 F6 O6 -","2","0.5","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","0.71073","MoKα","","0.0678","0.0498","","","0.1145","0.1308","","","","","","1.078","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1547797","8.9052","0.0002","8.4384","0.0001","10.9159","0.0002","90","","90.016","0.002","90","","820.28","0.03","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H24 N O4 Re -","- C14 H24 N O4 Re -","- C28 H48 N2 O8 Re2 -","2","0.5","","Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.","Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01728F","","x-ray","0.71073","MoKα","","0.0214","0.0203","","","0.0442","0.0445","","","","","","1.308","","","","has coordinates,has disorder","202333","2020-10-21","18:00:00",""
"1548313","20.8518","0.0005","28.0652","0.0006","32.415","0.0008","90","","104.793","0.001","90","","18340.8","0.7","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C56 H236 K18 Mo60 N4 O261 S36 -","- C55 K15.2 Mo60 N4 O241.7 S36 -","- C110 K30.4 Mo120 N8 O483.4 S72 -","2","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0783","0.0507","","","0.1351","0.1562","","","","","","1.056","","","","has coordinates","203776","2020-10-21","18:00:00",""
"1548675","4.0047","0.0002","13.2585","0.0008","7.3356","0.0004","90","","97.44","0.003","90","","386.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","I","3,5-Dibromobenzonitrile","","- C7 H3 Br2 N -","- C7 H3 Br2 N -","- C14 H6 Br4 N2 -","2","0.5","SJ4154","Noland, Wayland E.; Tritch, Kenneth J.","3,5-Dibromobenzonitrile","IUCrData","2018","3","1","x180059","","10.1107/S2414314618000597","","","0.71073","MoKα","","0.0306","0.0244","","","0.0562","0.058","","","","","","1.074","","","","has coordinates,has Fobs","205183","2020-10-21","18:00:00",""
"1548676","4.7215","0.0004","10.0181","0.0009","8.7689","0.0008","90","","93.023","0.004","90","","414.2","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RNC","2,6-Dibromo-4-chlorophenyl isocyanide","","- C7 H2 Br2 Cl N -","- C7 H2 Br2 Cl N -","- C14 H4 Br4 Cl2 N2 -","2","0.5","SJ4150","Noland, Wayland E.; Tritch, Kenneth J.","2,6-Dibromo-4-chlorophenyl isocyanide","IUCrData","2018","3","1","x171819","","10.1107/S2414314617018193","","","0.71073","MoKα","","0.0233","0.0206","","","0.0484","0.05","","","","","","1.083","","","","has coordinates,has Fobs","205184","2020-10-21","18:00:00",""
"1549256","7.9728","0.0003","21.7175","0.0009","8.7383","0.0003","90","","113.559","0.001","90","","1386.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","MK 460","","","- C25 H49 Ir N2 O2 P2 -","- C25 H49 Ir N2 O2 P2 -","- C50 H98 Ir2 N4 O4 P4 -","2","0.5","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0272","0.0212","","","0.0369","0.038","","","","","","1.12","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549299","12.933","0.008","12.816","0.008","13.179","0.008","90","","94.46","0.004","90","","2178","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cp""2Th(III)Alanate","Cp""2Th(III)Alanate","","- C36 H72 Al Si3 Th -","- C36 H72 Al Si2.9988 Th -","- C72 H144 Al2 Si5.9976 Th2 -","2","0.5","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.028","0.024","","","0.0571","0.0588","","","","","","1.059","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549567","11.4227","0.0002","17.2735","0.0003","13.9125","0.0003","90","","102.838","0.0019","90","","2676.46","0.09","100.01","0.1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H52 Cl8 Os P2 Si -","- C55 H52 Cl8 Os P2 Si -","- C110 H104 Cl16 Os2 P4 Si2 -","2","0.5","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","","1.54184","CuKα","","0.0466","0.0424","","","0.1003","0.1023","","","","","","1.077","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549750","8.734","0.003","26.987","0.008","8.39","0.002","90","","90","","90","","1977.6","1","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H74 Rh2 S2 -","- C40 H74 Rh2 S2 -","- C80 H148 Rh4 S4 -","2","0.5","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0613","0.0479","","","0.0972","0.1026","","","","","","1.129","","","","has coordinates,has disorder","227967","2020-10-21","18:00:00",""
"1550841","12.3804","0.0003","7.50396","0.00016","8.4883","0.0002","90","","94.6701","0.0019","90","","785.96","0.03","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 Co N6 O6 Zn2 -","- C8 Co N6 O6 Zn2 -","- C16 Co2 N12 O12 Zn4 -","2","0.5","","Marquez, Carlos; Simonov, Arkadiy; Wharmby, Michael T.; Van Goethem, Cédric; Vankelecom, Ivo F.J.; Bueken, Bart; Krajnc, Andraž; Mali, Gregor; De Vos, Dirk; De Baerdemaeker, Trees","Layered Zn2[Co(CN)6](CH3COO) double metal cyanide: a two-dimensional DMC phase with excellent catalytic performance","Chemical Science","2019","","","","","10.1039/C9SC00527G","powder diffraction","x-ray","0.20738","synchrotron","","","","","","","","","0.0131","0.80719","","","","","","","has coordinates","214493","2020-10-21","18:00:00",""
"1550924","13.6264","0.0005","30.4112","0.0012","14.0126","0.0005","90","","100.631","0.002","90","","5707.1","0.4","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","cage-tfa","","- C45 H30 F9 N6 O6 -","- C45 H30 F9 N6 O6 -","- C180 H120 F36 N24 O24 -","4","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.54178","CuKα","","0.1155","0.1063","","","0.3529","0.368","","","","","","1.644","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1551040","5.155","0.003","13.178","0.007","11.242","0.006","90","","94.764","0.008","90","","761.1","0.7","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6.5 H11 B Mn0.5 N -","- C6.5 H11 B Mn0.5 N -","- C26 H44 B4 Mn2 N4 -","4","1","","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","","","0.71075","MoKα","","0.0552","0.0464","","","0.0854","0.0892","","","","","","1.152","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551085","5.8737","0.0006","8.6858","0.0008","7.0567","0.0007","90","","105.408","0.0018","90","","347.08","0.06","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Plutonium(III)tungstate hydrate","","","- O9 Pu W2 -","- O9 Pu W2 -","- O18 Pu2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0297","0.0245","","","0.0573","0.0595","","","","","","1.047","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551086","5.9437","0.0013","8.7122","0.0019","7.1181","0.0016","90","","105.854","0.003","90","","354.57","0.14","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Cerium tungstate hydrate","","","- Ce H2 O9 W2 -","- Ce O9 W2 -","- Ce2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0241","0.0192","","","0.0374","0.0386","","","","","","1.057","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551087","5.904","0.0001","8.7129","0.0001","7.0935","0.0001","90","","105.695","0.001","90","","351.291","0.009","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Praseodymium tungstate hydrate","","","- O9 Pr W2 -","- O9 Pr W2 -","- O18 Pr2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0104","0.0103","","","0.0259","0.0259","","","","","","1.213","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551088","5.868","0.0005","8.6979","0.0007","7.0601","0.0006","90","","105.388","0.0016","90","","347.42","0.05","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Plutonium(III)tungstate hydrate","","","- O9 Pu W2 -","- O9 Pu W2 -","- O18 Pu2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0242","0.02","","","0.0462","0.0474","","","","","","1.074","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551089","5.991","0.003","8.736","0.004","7.165","0.003","90","","106.044","0.004","90","","360.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lanthanum tungstate hydrate","","","- H0 La O9 W2 -","- La O9 W2 -","- La2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0352","0.033","","","0.0814","0.0822","","","","","","1.22","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551091","5.9121","0.0005","8.7194","0.0007","7.1024","0.0006","90","","105.7","0.001","90","","352.47","0.05","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Neodymium tungstate hydrate","","","- Nd O9 W2 -","- Nd O9 W2 -","- Nd2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0251","0.021","","","0.0464","0.0481","","","","","","1.081","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551148","11.361","0.0002","18.2937","0.0004","11.6759","0.0002","90","","105.758","0.0008","90","","2335.45","0.08","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H69 N3 Si5 -","- C40 H69 N3 Si5 -","- C80 H138 N6 Si10 -","2","0.5","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0825","0.0786","","","0.2237","0.2282","","","","","","1.01","","","","has coordinates,has disorder","215508","2020-10-21","18:00:00",""
"1551406","17.243","0.0013","7.806","0.005","17.503","0.003","90","","110.42","0.03","90","","2207.8","1.5","200","2","200","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Gross95 (Zhenya)","","","- C39 H4 Cl4 F17 I4 N4 P -","- C39 H4 Cl4 F17 I4 N4 P -","- C78 H8 Cl8 F34 I8 N8 P2 -","2","0.5","","Gross, Zeev; Zhao, Jianzhang; Mahammed, Atif; Chen, Kepeng; Vestfrid, Jenya","Phosphorus Corrole Complexes: From Property Tuning to Applications in Photocatalysis and Triplet-Triplet Annihilation Upconversion","Chemical Science","2019","","","","","10.1039/C9SC01463B","","","0.71073","MoKα","","0.1284","0.1059","","","0.2335","0.2458","","","","","","1.124","","","","has coordinates,has disorder","215938","2020-10-21","18:00:00",""
"1551649","9.3075","0.0012","20.839","0.003","13.7601","0.0017","90","","90.797","0.002","90","","2668.6","0.6","90","2","90","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C48 H28 Br4 Cl12 N4 O V -","- C48 H28 Br4 Cl12 N4 O V -","- C96 H56 Br8 Cl24 N8 O2 V2 -","2","0.5","","IKEUE, Takahisa; MURAI, Nami; HIRAOKA, Yuya; KUBOTA, Takeshi; OMATA, Kohji; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; HANDA, Makoto","Crystal Structure of the (2,3,12,13-Tetrabromo-5,10,15,20-tetraphenylporphyrinato)oxidovanadium(IV) Complex","X-ray Structure Analysis Online","2014","30","0","37","","10.2116/xraystruct.30.37","","","0.71073","MoKα","","0.0596","0.0475","","","0.1419","0.1464","","","","","","1.166","","","","has coordinates,has disorder","216260","2020-10-21","18:00:00",""
"1551929","12.352","0.003","33.725","0.007","13.03","0.003","90","","96.63","0.03","90","","5392","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C79 H66 Cl2 Mn3 N12 O16 Rh2 -","- C79 H66 Cl2 Mn3 N12 O16 Rh2 -","- C158 H132 Cl4 Mn6 N24 O32 Rh4 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.083","0.0749","","","0.2245","0.2321","","","","","","1.036","","","","has coordinates,has disorder","216658","2020-10-21","18:00:00",""
"1551930","12.359","0.003","33.229","0.007","12.887","0.003","90","","96.42","0.03","90","","5259","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl3 Mn3 N12 O16 Rh -","- C75 H66 Mn3 N12 O16 Rh -","- C150 H132 Mn6 N24 O32 Rh2 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.0946","0.075","","","0.2182","0.2331","","","","","","1.068","","","","has coordinates,has disorder","216659","2020-10-21","18:00:00",""
"1551931","12.3582","0.0005","33.9509","0.0015","12.9507","0.0006","90","","99.89","0.004","90","","5353","0.4","105","8","105","8","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C80 H72 Cl0 I2 Mn3 N13 O14 Rh -","- C80 H72 I1.5 Mn3 N13 O14 Rh -","- C160 H144 I3 Mn6 N26 O28 Rh2 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","MoKα","","0.1706","0.1076","","","0.2892","0.3271","","","","","","1.001","","","","has coordinates,has disorder","216660","2020-10-21","18:00:00",""
"1551933","12.3989","0.0012","33.418","0.003","12.9445","0.0016","90","","98.312","0.011","90","","5307.2","1","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl2 Co Mn3 N12 O16 -","- C75 H66 Cl2 Co Mn3 N12 O16 -","- C150 H132 Cl4 Co2 Mn6 N24 O32 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.7107","MoKα","","0.1277","0.0928","","","0.2256","0.2419","","","","","","1.066","","","","has coordinates","216662","2020-10-21","18:00:00",""
"1552290","10.899","0.003","16.264","0.005","10.897","0.003","90","","104.332","0.007","90","","1871.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37 H24 N2 O10 Zn2 -","- C37 H24 N2 O10 Zn2 -","- C74 H48 N4 O20 Zn4 -","2","0.5","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0756","0.0484","","","0.117","0.1331","","","","","","1.041","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552462","7.03718","0.00011","13.3782","0.0002","8.85308","0.00016","90","","98.7503","0.0016","90","","823.77","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H18 N5 P S -","- C17 H18 N5 P S -","- C34 H36 N10 P2 S2 -","2","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0304","0.0284","","","0.0732","0.0748","","","","","","1.111","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552955","8.381","0.002","19.609","0.006","17.205","0.005","90","","101.644","0.008","90","","2769.3","1.3","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H28 N4 O20 P4 S2 -","- C44 H28 N4 O20 P4 S2 -","- C88 H56 N8 O40 P8 S4 -","2","0.5","","Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C","Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene.","Analytical chemistry","2015","87","8","4515","4522","10.1021/acs.analchem.5b00772","","","0.71073","MoKα","","0.2521","0.2058","","","0.5533","0.5896","","","","","","2.57","","","","has coordinates","231206","2020-10-21","18:00:00",""
"1554008","9.6134","0.0004","19.636","0.001","9.8168","0.0004","90","","110.275","0.003","90","","1738.29","0.14","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C25 H16 F2 -","- C25 H16 F2 -","- C100 H64 F8 -","4","1","","Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan","Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.","The journal of physical chemistry. A","2016","120","28","5474","5480","10.1021/acs.jpca.6b02127","","","0.71073","MoKα","","0.0714","0.0383","","","0.0682","0.0731","","","","","","0.992","","","","has coordinates","236419","2020-10-21","18:00:00",""
"1554305","6.4792","0.0004","25.1943","0.0014","10.1094","0.0006","90","","106.673","0.006","90","","1580.87","0.17","180","0.1","180","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H7 Cl4 F10 N3 O2 -","- C32 H7 Cl4 F10 N3 O2 -","- C64 H14 Cl8 F20 N6 O4 -","2","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0694","0.0441","","","0.0889","0.1004","","","","","","1.025","","","","has coordinates","237111","2020-10-21","18:00:00",""
"1554306","6.3689","0.0005","19.2075","0.001","14.4005","0.0009","90","","96.153","0.007","90","","1751.5","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H11 Cl2 F10 N5 O2.5 -","- C36 H11 Cl2 F10 N5 O2.5 -","- C72 H22 Cl4 F20 N10 O5 -","2","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0931","0.0683","","","0.2181","0.2414","","","","","","1.117","","","","has coordinates","237111","2020-10-21","18:00:00",""
"1554742","8.1722","0.0005","16.0848","0.0007","9.1272","0.0006","90","","95.0903","0.0016","90","","1195.02","0.12","123","","123","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H26 Cl2 Hf -","- C31 H26 Cl2 Hf -","- C62 H52 Cl4 Hf2 -","2","0.5","","Amaya, Toru; Katoh, Shun; Moriuchi, Toshiyuki; Hirao, Toshikazu","Synthesis of a sumanenyl hafnocene complex","Organic Chemistry Frontiers","2019","6","7","1032","","10.1039/C9QO00140A","","","0.71075","MoKα","","0.0464","0.0326","","","0.0619","0.0847","","","","","","1.234","","","","has coordinates","238093","2020-10-21","18:00:00",""
"1554935","9.353","0.004","7.448","0.003","12.251","0.005","90","","93.725","0.008","90","","851.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H17 Cl O2 -","- C23 H17 Cl O2 -","- C46 H34 Cl2 O4 -","2","0.5","","Liu, Yang; Jin, Shiyu; Huang, Liping; Hu, Youhong","Phase transfer reagent promoted tandem ring-opening and ring-closing reactions of unique 3-(1-alkynyl) chromones.","Organic letters","2015","17","9","2134","2137","10.1021/acs.orglett.5b00721","","","0.71073","MoKα","","0.0579","0.0483","","","0.1395","0.1509","","","","","","1.044","","","","has coordinates","238221","2020-10-21","18:00:00",""
"1556035","7.7378","0.0003","6.7075","0.0002","12.6395","0.0005","90","","102.323","0.001","90","","640.89","0.04","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N4 O -","- C14 H16 N4 O -","- C28 H32 N8 O2 -","2","0.5","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Oxidative Deaminations and Deisatinylations of Ugi-Azide and Ugi-3CR Products: A Two-Step MCR-Oxidation Protocol toward Functionalized α-Ketoamides and α-Ketotetrazoles.","Organic letters","2017","19","9","2238","2241","10.1021/acs.orglett.7b00710","","","0.71073","MoKα","","0.034","0.0331","","","0.0875","0.0883","","","","","","1.05","","","","has coordinates,has disorder","239356","2020-10-21","18:00:00",""
"1556690","9.226","0.001","13.06","0.001","17.377","0.002","90","","104.671","0.003","90","","2025.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H23 I14 N4 O -","- C14 H27 I14 N4 O -","- C28 H54 I28 N8 O2 -","2","0.5","","Savastano, M.; Martinez-Camarena, A.; Bazzicalupi, C.; Delgado-Pinar, E.; Llinares, J.M.; Mariani, P.; Verdejo, B.; Garcia-Espana, E.; Bianchi, A.","Stabilization of Supramolecular Networks of Polyiodides with Protonated Small Tetra-azacyclophanes","Inorganics","2019","7","","48","","10.3390/inorganics7040048","","","0.71073","MoKα","","0.0941","0.0779","","","0.2092","0.2353","","","","","","1.09","","","","has coordinates","245429","2020-10-21","18:00:00",""
"1556954","6.849","0.002","13.452","0.002","8.072","0.002","90","","103.95","0.02","90","","721.8","0.3","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","mesitylene-fluoranil","","","- C15 H12 F4 O2 -","- C15 F4 O2 -","- C30 F8 O4 -","2","0.5","","Dahl, Tor","Crystal Structure of the 1:1 Complex Between Mesitylene and Fluoranil. Analysis of Stacking Interactions in Complexes Containing Fluoranil","Acta Chemica Scandinavica","1998","52","","1006","1009","10.3891/acta.chem.scand.52-1006","","x-ray","1.5418","CuKα","","","0.074","","","0.076","","","","","","","","","","","has coordinates","246633","2020-10-21","18:00:00",""
"1557146","6.007","0.001","14.899","0.001","13.269","0.001","90","","92.21","0.01","90","","1186.7","0.2","","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine","","","- C21 H30 F6 N O P -","- C21 F6 N O P -","- C42 F12 N2 O2 P2 -","2","0.5","","Potschke, Norbert; Nieger, Martin; Niecke, Edgar","Crystal Structure of 1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine","Acta Chemica Scandinavica","1997","51","","337","339","10.3891/acta.chem.scand.51-0337","","x-ray","1.54178","CuKα","","","0.059","","","","0.181","","","","","","1.02","","","","has coordinates","247186","2020-10-21","18:00:00",""
"1557244","12.323","0.003","32.145","0.006","12.931","0.003","90","","93.58","0.03","90","","5112","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C90 H126 Mn3 N12 O27 -","- C75 H66 Mn3 N12 O12 -","- C150 H132 Mn6 N24 O24 -","2","0.5","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.71092","Synchrotron","","0.0671","0.0602","","","0.1927","0.1983","","","","","","1.09","","","","has coordinates,has disorder","261710","2021-02-04","23:22:49",""
"1557245","12.313","0.003","31.877","0.006","12.954","0.003","90","","92.93","0.03","90","","5078","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C84 H84 Cl18 Mn3 N12 O12 -","- C77 H70 Cl4 Mn3 N12 O12 -","- C154 H140 Cl8 Mn6 N24 O24 -","2","0.5","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.7108","Synchrotron","","0.141","0.101","","","0.2925","0.3127","","","","","","1.09","","","","has coordinates,has disorder","261710","2021-02-04","23:22:49",""
"1557249","12.274","0.003","32.826","0.007","12.93","0.003","90","","95.51","0.03","90","","5186","2","100","2","100.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C93 H120 Mn3 N12 O21 -","- C75 H66 Mn3 N12 O12 -","- C150 H132 Mn6 N24 O24 -","2","0.5","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.71076","Synchrotron","","0.0522","0.048","","","0.1433","0.1467","","","","","","1.073","","","","has coordinates,has disorder","261710","2021-02-04","23:22:49",""
"1557250","12.307","0.003","31.637","0.006","13.006","0.003","90","","92.1","0.03","90","","5061","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C97.5 H111 Mn3 N12 O19.5 -","- C75 H66 Mn3 N12 O12 -","- C150 H132 Mn6 N24 O24 -","2","0.5","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.7108","Synchrotron","","0.1086","0.0726","","","0.2023","0.2198","","","","","","1.044","","","","has coordinates,has disorder","261710","2021-02-04","23:22:49",""
"1558297","14.0058","0.0003","21.7361","0.0005","14.7736","0.0003","90","","105.395","0.002","90","","4336.17","0.17","120","0.1","120","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Compound 6.solvent","[{(py)U(Cl)2U(O2C6H4)(py)}(LA)]","","- C74 H62 Cl2 N10 O2 U2 -","- C74 H62 Cl2 N10 O2 U2 -","- C148 H124 Cl4 N20 O4 U4 -","2","0.5","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0632","0.0382","","","0.0746","0.0814","","","","","","1.022","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558560","14.4078","0.0004","24.1255","0.0007","14.433","0.0004","90","","99.165","0.003","90","","4952.8","0.2","199.95","0.1","199.95","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C111 H119.5 Au2 N5 O -","- C111 H119.5 Au2 N5 O -","- C222 H239 Au4 N10 O2 -","2","0.5","","Ibáñez, Susana; Poyatos, Macarena; Peris, Eduardo","N-Heterocyclic Carbenes: A Door Open to Supramolecular Organometallic Chemistry.","Accounts of chemical research","2020","","","","","10.1021/acs.accounts.0c00312","","x-ray","0.71073","MoKα","","0.056","0.0486","","","0.1058","0.1092","","","","","","1.227","","","","has coordinates,has disorder","254185","2020-10-21","18:00:00",""
"1558803","7.46458","0.00013","17.4351","0.0003","10.11223","0.00013","90","","99.0427","0.0014","90","","1299.71","0.04","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 Fe N2 Si -","- C26 H38 Fe N2 Si -","- C52 H76 Fe2 N4 Si2 -","2","0.5","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","1.54184","CuKα","","0.032","0.0303","","","0.085","0.0864","","","","","","1.063","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1559027","6.331","0.003","11.754","0.006","7.9","0.004","90","","99.26","0.02","90","","580.2","0.5","","","153","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Ammonium Diaquadioxalatooxoniobate(V) Dihydrate, NH4[NbO(C2O4)2(H2O)2].(H2O)2","","","- C4 H12 N Nb O13 -","- C4 H12 N Nb O13 -","- C8 H24 N2 Nb2 O26 -","2","0.5","","Eriksson, Lars; Svensson, Gunnar; Tabachenko, Valeri","Crystal Structure of Ammonium Diaquadioxalatooxoniobate(V) Dihydrate, NH4[NbO(C2O4)2(H2O)2].(H2O)2","Acta Chemica Scandinavica","1993","47","","1038","1040","10.3891/acta.chem.scand.47-1038","","x-ray","0.71069","MoKα","","","0.033","","","0.044","","","","","","","","","","","has coordinates","256253","2020-10-21","18:00:00",""
"1559073","3.7464","0.0002","11.8946","0.0006","20.2094","0.0011","90","","93.506","0.002","90","","898.88","0.08","113","2","113","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H2.5 O4 S8 -","- C12 H2.5 O4 S8 -","- C24 H5 O8 S16 -","2","0.5","","Kobayashi, Yuka; Hirata, Kazuto; Hood, Samantha; Yang, Hui; Walsh, Aron; Matsushita, Yoshitaka; Ishioka, Kunie","Crystal structure and metallization mechanism of the π-radical metal TED","Chemical Science","2020","","","","","10.1039/D0SC03521A","","","0.71073","MoKα","","0.0573","0.0538","","","0.1571","0.1595","","","","","","1.154","","","","has coordinates","256371","2020-10-21","18:00:00",""
"1559485","8.8942","0.0001","5.654","0.0001","10.1928","0.0002","90","","115.1","0.001","90","","464.171","0.014","","","298","","","","100","","","","","9","P 1 21/m 1","-P 2yb","11","(Ca1.73Sr0.22)(Al1.99Mn0.68Fe0.37Mg0.01)Si2.99O12(OH)","","Sr-rich piemontite","- Al1.99 Ca1.73 Fe0.37 H Mg0.01 Mn0.68 O13 Si2.99 Sr0.22 -","- Al1.949 Ca1.711 H Mn1.051 O13 Si3 Sr0.289 -","- Al3.898 Ca3.422 H2 Mn2.102 O26 Si6 Sr0.578 -","2","0.5","","Nagashima, M.; Sano, Y.; Kochi, T.; Akasaka, M.; Sano-Furukawa, A.","Crystal chemistry of Sr-rich piemontite from manganese ore deposit of the Tone mine, Nishisonogi Peninsula, Nagasaki, southwest Japan","Journal of Mineralogical and Petrological Sciences","2020","115","","391","406","10.2465/jmps.191122","","","","","","","","","","","","","","","","","","","","","has coordinates","259041","2020-11-07","23:28:23",""
"1559502","5.8948","0.0008","3.9264","0.0006","10.104","0.002","90","","97.93","0.02","90","","231.62","0.07","","","293","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","ZrTe3","","","- Te3 Zr -","- Te3 Zr -","- Te6 Zr2 -","2","0.5","","Furuseth, Sigrid; Fjellvag, Helmer","Re-examination of the Crystal Structure of ZrTe3","Acta Chemica Scandinavica","1991","45","","694","697","10.3891/acta.chem.scand.45-0694","","x-ray","0.71069","MoKα","","","0.051","","","0.059","","","","","","","","","","","has coordinates","259111","2020-11-12","10:08:55",""
"1559656","10.081","0.004","24.946","0.008","11.246","0.004","90","","107.46","0.01","90","","2697.8","1.7","300","2","300","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","1RT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","0.5","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.0592","0.0456","","","0.1112","0.1201","","","","","","1.048","","","","has coordinates,has disorder","267096","2021-07-05","16:58:13",""
"1559827","8.0294","0.0008","19.1408","0.0016","19.9693","0.0018","90","","94.97","0.003","90","","3057.5","0.5","150","2","150.01","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C123 H89 F21 N18 O23 S7 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0988","0.0686","","","0.1876","0.2131","","","","","","1.05","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1560040","9.1662","0.0005","26.4418","0.0013","9.8935","0.0006","90","","90.567","0.005","90","","2397.8","0.2","150","2","150","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H66 N4 Ni Si2 -","- C55 H66 N4 Ni Si2 -","- C110 H132 N8 Ni2 Si4 -","2","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","x-ray","1.54184","CuKα","","0.1221","0.0982","","","0.2212","0.2417","","","","","","1.194","","","","has coordinates,has disorder","263682","2021-04-05","14:18:47",""
"1560304","7.5851","0.0007","43.318","0.003","8.593","0.0008","90","","100.325","0.002","90","","2777.7","0.4","273","2","273.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4a","","","- C25 H14 O3 S -","- C25 H14 O3 S -","- C150 H84 O18 S6 -","6","1.5","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0652","0.0425","","","0.0939","0.1028","","","","","","1.041","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560477","10.2293","0.0003","34.4803","0.001","10.7355","0.0003","90","","109.985","0.003","90","","3558.5","0.19","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H31 N13 O13 Zn3 -","- C21 H27 N13 O13 Zn3 -","- C84 H108 N52 O52 Zn12 -","4","1","","Wang, Xiao-Bing; Lu, Wen-Guan; Zhong, Di-Chang","Two Zinc(II) metal-organic frameworks with mixed ligands of 5-amino-tetrazolate and l,2,4,5-benzenetetracarboxylate: Synthesis, structural diversity and photoluminescent properties","Journal of Solid State Chemistry","2017","250","","83","89","10.1016/j.jssc.2016.11.005","","","0.71073","MoKα","","0.0866","0.0646","","","0.1332","0.1437","","","","","","1.091","","","","has coordinates,has disorder","262072","2021-02-18","10:47:17",""
"1561147","6.9817","0.0012","5.3917","0.0008","8.1666","0.0019","90","","98.643","0.019","90","","303.93","0.1","293","2","293.2","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B H O7 Pb2 S -","- B H O7 Pb2 S -","- B2 H2 O14 Pb4 S2 -","2","0.5","","Ruan, Ting-Ting; Wang, Wen-Wen; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4(BO3)2(SO4) and Pb2[(BO2)(OH)](SO4): New lead(II) borate-sulfate mixed-anion compounds with two types of 3D network structures","Journal of Solid State Chemistry","2018","260","","39","45","10.1016/j.jssc.2018.01.013","","x-ray","0.71073","MoKα","","0.0408","0.0355","","","0.0838","0.0878","","","","","","1.023","","","","has coordinates","263170","2021-03-19","08:55:27",""
"1561476","27.776","0.003","32.56","0.003","36.61","0.003","90","","105.89","0.003","90","","31844","5","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C156 H297 N11 O106 P4 S0 V24 -","- C124 H200 N4 O96 P4 V24 -","- C496 H800 N16 O384 P16 V96 -","4","1","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.0906","0.0721","","","0.2","0.2115","","","","","","1.048","","","","has coordinates,has disorder","268619","2021-09-06","09:59:11",""
"1561664","5.7338","0.0017","3.2511","0.001","9.519","0.007","90","","99.497","0.019","90","","175.01","0.15","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs0.12 H1.02 Mo O0.51 S2 -","- Cs0.12 Mo S2 -","- Cs0.24 Mo2 S4 -","2","0.5","","Mao, Yuanlv; Fang, Yuqiang; Pan, Jie; Wang, Dong; Bu, Kejun; Che, Xiangli; Zhao, Wei; Huang, Fuqiang","Synthesis, crystal structures and physical properties of A(H2O) MoS2 (A = K, Rb, Cs)","Journal of Solid State Chemistry","2019","279","","120937","","10.1016/j.jssc.2019.120937","","","0.71073","MoKα","","0.0345","0.0336","","","0.1112","0.112","","","","","","1.15","","","","has coordinates,has disorder","264059","2021-04-12","09:26:46",""
"1561665","5.6942","0.001","3.2433","0.0006","9.3601","0.0016","90","","100.616","0.006","90","","169.9","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H1.64 K0.38 Mo O0.82 S2 -","- K0.38 Mo S2 -","- K0.76 Mo2 S4 -","2","0.5","","Mao, Yuanlv; Fang, Yuqiang; Pan, Jie; Wang, Dong; Bu, Kejun; Che, Xiangli; Zhao, Wei; Huang, Fuqiang","Synthesis, crystal structures and physical properties of A(H2O) MoS2 (A = K, Rb, Cs)","Journal of Solid State Chemistry","2019","279","","120937","","10.1016/j.jssc.2019.120937","","","0.71073","MoKα","","0.0486","0.0421","","","0.0965","0.0995","","","","","","1.169","","","","has coordinates,has disorder","264059","2021-04-12","09:26:48",""
"1561666","5.711","0.007","3.25","0.004","9.427","0.012","90","","100.26","0.04","90","","172.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H1.22 Mo O0.61 Rb0.27 S2 -","- Mo Rb0.27 S2 -","- Mo2 Rb0.54 S4 -","2","0.5","","Mao, Yuanlv; Fang, Yuqiang; Pan, Jie; Wang, Dong; Bu, Kejun; Che, Xiangli; Zhao, Wei; Huang, Fuqiang","Synthesis, crystal structures and physical properties of A(H2O) MoS2 (A = K, Rb, Cs)","Journal of Solid State Chemistry","2019","279","","120937","","10.1016/j.jssc.2019.120937","","","0.71073","MoKα","","0.05","0.0409","","","0.1153","0.1195","","","","","","1.195","","","","has coordinates,has disorder","264059","2021-04-12","09:26:49",""
"1561671","7.739","0.004","6.004","0.003","7.907","0.004","90","","93.1","0.015","90","","366.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ba Br0.5 O S0.5 Sb0.5 -","- Ba Br0.5 O S0.5 Sb0.5 -","- Ba4 Br2 O4 S2 Sb2 -","4","1","","Luo, Mengjia; Bu, Kejun; Liu, Yiting; Wang, Ruiqi; Zhang, Xian; Zheng, Chong; Jin, Qingyuan; Zhang, Xiaolei; Huang, Fuqiang","Synthesis, crystal structure, and optical properties of Ba2SbO2SX (X = Br, I) oxy-chalcohalides","Journal of Solid State Chemistry","2019","278","","120811","","10.1016/j.jssc.2019.06.016","","","0.71073","MoKα","","0.0539","0.0384","","","0.0641","0.069","","","","","","1.012","","","","has coordinates","264072","2021-04-13","07:31:22",""
"1561672","7.731","0.0011","6.0775","0.0009","8.0267","0.0011","90","","93.045","0.004","90","","376.6","0.09","273","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ba2 Cu0 I O2 S Sb -","- Ba2 I O2 S Sb -","- Ba4 I2 O4 S2 Sb2 -","2","0.5","","Luo, Mengjia; Bu, Kejun; Liu, Yiting; Wang, Ruiqi; Zhang, Xian; Zheng, Chong; Jin, Qingyuan; Zhang, Xiaolei; Huang, Fuqiang","Synthesis, crystal structure, and optical properties of Ba2SbO2SX (X = Br, I) oxy-chalcohalides","Journal of Solid State Chemistry","2019","278","","120811","","10.1016/j.jssc.2019.06.016","","","0.71073","MoKα","","0.0153","0.0135","","","0.0293","0.0298","","","","","","1.117","","","","has coordinates","264072","2021-04-13","07:31:32",""
"1561709","18.064","0.003","6.9578","0.0012","11.446","0.002","90","","107.711","0.004","90","","1370.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- F Na3 O4 S -","- F Na3 O4 S -","- F12 Na36 O48 S12 -","12","3","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Krivovichev, Sergey V.","Order‒disorder phase transition in the antiperovskite-type structure of synthetic kogarkoite, Na3SO4F","Journal of Solid State Chemistry","2015","231","","42","46","10.1016/j.jssc.2015.07.033","","","0.71073","MoKα","","0.0797","0.0581","","","0.1639","0.1813","","","","","","1.073","","","","has coordinates","264120","2021-04-14","07:07:09",""
"1561818","8.3116","0.0004","18.6363","0.0008","11.5623","0.0005","90","","97.582","0.001","90","","1775.31","0.14","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H16 N2 O28.23 Se5.41 U3 -","- C4 H16 N2 O28.224 Se5.408 U3 -","- C8 H32 N4 O56.448 Se10.816 U6 -","2","0.5","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0549","0.0362","","","0.0935","0.0979","","","","","","1.083","","","","has coordinates,has Fobs","264202","2021-04-15","09:22:25",""
"1561819","8.941","0.002","19.3","0.004","11.377","0.003","90","","97.51","0.004","90","","1946.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H38 N3 O27.33 Se5 U3 -","- C12 H38 N3 O27.3333 Se5 U3 -","- C24 H76 N6 O54.6666 Se10 U6 -","2","0.5","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0986","0.0396","","","0.0583","0.0661","","","","","","0.733","","","","has coordinates,has disorder,has Fobs","264203","2021-04-15","09:24:33",""
"1562003","8.208","0.003","9.151","0.003","8.349","0.003","90","","115.709","0.007","90","","565","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lithium sodium boron phosphorous oxide","monolithium disodium pentaboron diphosphorous oxide","","- B5 Li Na2 O14 P2 -","- B5 Li Na2 O14 P2 -","- B10 Li2 Na4 O28 P4 -","2","0.5","","Hasegawa, Toru; Yamane, Hisanori","Synthesis and crystal structure analysis of Li2NaBP2O8 and LiNa2B5P2O14","Journal of Solid State Chemistry","2015","225","","65","71","10.1016/j.jssc.2014.11.024","","","0.71075","MoKα","","0.0548","0.0424","","","0.0896","0.0985","","","","","","1.059","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"1562033","10.1059","0.0001","5.7094","0.0001","6.977","0.0001","90","","93.107","0.001","90","","401.972","0.01","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","barium iron oxide fluoride","- Ba3 F Fe3 O7 -","- Ba3 F Fe3 O7 -","- Ba6 F2 Fe6 O14 -","2","0.5","","Clemens, Oliver","Structural characterization of a new vacancy ordered perovskite modification found for Ba3Fe3O7F (BaFeO2.333F0.333): Towards understanding of vacancy ordering for different perovskite-type ferrites","Journal of Solid State Chemistry","2015","225","","261","270","10.1016/j.jssc.2014.12.027","powder diffraction","","1.54176","CuKα","","","","","","","","","0.055","","","","","","","","has coordinates","264463","2021-04-23","09:07:17",""
"1562142","7.0054","0.001","17.5092","0.0003","7.3053","0.001","90","","92.299","0.01","90","","895.34","0.18","298","0.2","298","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Bi2 H2 O19 Se6 Sr3 -","- Bi2 O19 Se6 Sr3 -","- Bi4 O38 Se12 Sr6 -","2","0.5","","Ahn, Hyun Sun; Lee, Eun Pyo; Chang, Hong-Young; Lee, Dong Woo; Ok, Kang Min","Sr3Bi2(SeO3)6·H2O: A novel anionic layer consisting of second-order Jahn‒Teller (SOJT) distortive cations","Journal of Solid State Chemistry","2015","221","","73","78","10.1016/j.jssc.2014.09.018","","","0.71073","MoKα","","0.0502","0.0363","","","0.0975","0.1012","","","","","","1.073","","","","has coordinates","264578","2021-04-27","08:12:44",""
"1562200","11.5085","0.0006","8.3805","0.0003","11.675","0.0006","90","","111.147","0.006","90","","1050.19","0.1","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- F O10 Rb2 Sc Si4 -","- F O10 Rb2 Sc Si4 -","- F4 O40 Rb8 Sc4 Si16 -","4","1","","Kahlenberg, Volker; Manninger, Tanja; Perfler, Lukas; Többens, Daniel M.","One-pot occurrence of two polymorphs of Rb 2 Sc[Si 4 O 10 ]F and their structural, spectroscopic and computational characterization","Journal of Solid State Chemistry","2014","220","","79","90","10.1016/j.jssc.2014.08.002","","","0.71073","MoKα","","0.028","0.0249","","","0.0607","0.0616","","","","","","1.2","","","","has coordinates","264629","2021-04-28","08:00:24",""
"1562271","5.5463","0.0003","6.4893","0.0004","12.8709","0.0007","90","","93.559","0.005","90","","462.35","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Mn4TeSiO7Br2","","","- Br2 Mn4 O7 Si Te -","- Br2 Mn4 O7 Si Te -","- Br4 Mn8 O14 Si2 Te2 -","2","0.5","","Zimmermann, Iwan; Kremer, Reinhard K.; Johnsson, Mats","Two isostructural layered oxohalide compounds containing Mn2+, Te4+ and Si4+; crystal structure and magnetic susceptibility","Journal of Solid State Chemistry","2014","218","","6","9","10.1016/j.jssc.2014.05.027","","","0.71069","MoKα","","0.0456","0.0361","","","0.0845","0.0872","","","","","","0.977","","","","has coordinates","264689","2021-04-29","08:50:27",""
"1562272","5.49434","0.00007","6.44184","0.00009","12.60451","0.00018","90","","94.159","0.0012","90","","444.945","0.011","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Mn4TeSiO7Cl2","","","- Cl2 Mn4 O7 Si Te -","- Cl2 Mn4 O7 Si Te -","- Cl4 Mn8 O14 Si2 Te2 -","2","0.5","","Zimmermann, Iwan; Kremer, Reinhard K.; Johnsson, Mats","Two isostructural layered oxohalide compounds containing Mn2+, Te4+ and Si4+; crystal structure and magnetic susceptibility","Journal of Solid State Chemistry","2014","218","","6","9","10.1016/j.jssc.2014.05.027","","","0.71073","MoKα","","0.043","0.034","","","0.0815","0.0958","","","","","","1.121","","","","has coordinates","264689","2021-04-29","08:50:27",""
"1562763","6.3766","0.0008","13.0047","0.0017","8.5089","0.0012","90","","101.063","0.002","90","","692.49","0.16","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H10 Cl N3 O2 Zn -","- C16 H10 Cl N3 O2 Zn -","- C32 H20 Cl2 N6 O4 Zn2 -","2","0.5","","Li, Na; Guo, Hui-Lin; Hu, Huai-Ming; Song, Juan; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Hydrothermal syntheses, crystal structures and luminescence properties of zinc(II) and cadmium(II) coordination polymers based on bifunctional 3,2′:6′,3′′-terpyridine-4′-carboxylic acid","Journal of Solid State Chemistry","2013","198","","416","423","10.1016/j.jssc.2012.10.028","","","0.71073","MoKα","","0.0419","0.0358","","","0.0777","0.0807","","","","","","1.203","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1562980","8.0042","0.0005","15.8757","0.001","10.9146","0.0007","90","","110.452","0.004","90","","1299.52","0.15","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H23 N2 O9.5 Zn2 -","- C24 H23 N2 O9.5 Zn2 -","- C48 H46 N4 O19 Zn4 -","2","0.5","","Jiang, Xian-Rong; Yuan, Hong-Yan; Feng, Yun-Long","Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties","Journal of Solid State Chemistry","2012","191","","181","190","10.1016/j.jssc.2012.03.002","","","0.71073","MoKα","","","0.0347","","","0.1171","0.1256","","","","","","0.986","","","","has coordinates","265625","2021-05-31","07:45:00",""
"1563215","7.2488","0.0004","12.1798","0.0007","8.0625","0.0005","90","","98.245","0.001","90","","704.47","0.07","298","2","571","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Thorium Disulfate Hydrate","","- H18 O17 S2 Th -","- H18 O17 S2 Th -","- H36 O34 S4 Th2 -","2","0.5","","Albrecht, Amanda J.; Sigmon, Ginger E.; Moore-Shay, Laura; Wei, Rebecca; Dawes, Colleen; Szymanowski, Jennifer; Burns, Peter C.","The crystal chemistry of four thorium sulfates","Journal of Solid State Chemistry","2011","184","7","1591","1597","10.1016/j.jssc.2011.04.024","","","0.71073","MoKα","","0.0144","0.0133","","","0.0309","0.0313","","","","","","1.05","","","","has coordinates","266258","2021-06-08","08:23:10",""
"1563406","11.386","0.002","3.857","0.0008","34.103","0.007","90","","94.67","0.03","90","","1492.7","0.5","93","2","93","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Bi14.7 In11.3 S38 -","- Bi14.696 In11.304 S38 -","- Bi14.696 In11.304 S38 -","1","0.25","","Yin, Wenlong; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","Bi3In4S10 and Bi14.7In11.3S38: Two new bismuth sulfides with interesting Bi‒Bi bonding","Journal of Solid State Chemistry","2010","183","11","2544","2551","10.1016/j.jssc.2010.08.028","","","0.71073","MoKα","","0.0324","0.0276","","","0.0627","0.0646","","","","","","1.067","","","","has coordinates","266436","2021-06-14","09:25:25",""
"1563496","9.8048","0.0004","17.4567","0.0008","15.482","0.0006","90","","106.103","0.002","90","","2545.92","0.19","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 N O20 U4 V3 -","- C2 N O21.5 U4 V3 -","- C8 N4 O86 U16 V12 -","4","1","","Jouffret, Laurent; Shao, Zhenmian; Rivenet, Murielle; Abraham, Francis","New three-dimensional inorganic frameworks based on the uranophane-type sheet in monoamine templated uranyl-vanadates","Journal of Solid State Chemistry","2010","183","10","2290","2297","10.1016/j.jssc.2010.07.035","","","0.71069","MoKα","","0.0612","0.0547","","","0.0661","0.0682","","","","9.68","9.68","9.41","","","","has coordinates","266470","2021-06-15","08:24:10",""
"1563775","6.213","0.004","4.724","0.002","12.161","0.009","90","","96.97","0.05","90","","354.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Au0.93 Cd0.07 Sr -","- Au0.926667 Cd0.0733333 Sr -","- Au5.56 Cd0.44 Sr6 -","6","1.5","","Harms, Wiebke; Dürr, Ines; Daub, Michael; Röhr, Caroline","(Ca/Sr)AuxCd1−x: Stacking variants of the CrB‒FeB series","Journal of Solid State Chemistry","2010","183","1","157","167","10.1016/j.jssc.2009.10.027","","","0.7107","MoKα","","0.0616","0.0467","","","0.1141","0.1207","","","","","","1.108","","","","has coordinates","266772","2021-06-29","09:46:46",""
"1564212","8.74","0.005","7.607","0.005","11.597","0.005","90","0.005","104.723","0.005","90","0.005","745.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Ag Mo3 N3 O10 -","- C8 H8 Ag Mo3 N3 O10 -","- C16 H16 Ag2 Mo6 N6 O20 -","2","0.5","","Yu, Xiao-Yang; Li, Sheng-Ling; Zhang, Rui; Gao, Lu; Lu, Tong; Cao, Xue-Ling; Cui, Hao; Shi, Zhenyu; Zheng, Yuguo; Yang, Ying","A new 2D silver(I) inorganic-organic hybrid constructed from in situ decarboxylation reaction: Synthesis, structure and properties","Inorganica Chimica Acta","2020","510","","119717","","10.1016/j.ica.2020.119717","","","0.71069","MoKα","","0.019","0.0167","","","0.048","0.049","","","","","","1.124","","","","has coordinates,has disorder","267638","2021-07-19","08:52:00",""
"1564270","11.7794","0.0006","24.2731","0.0012","20.7191","0.0011","90","","96.956","0.002","90","","5880.5","0.5","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C73 H63 Cu N2 O -","- C73 H63 Cu N2 O -","- C292 H252 Cu4 N8 O4 -","4","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0552","0.0505","","","0.1376","0.1417","","","","","","1.054","","","","has coordinates,has disorder","267840","2021-07-31","01:49:54",""
"1564294","11.1782","0.0007","7.3754","0.0004","12.4363","0.0009","90","","95.582","0.002","90","","1020.43","0.11","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H21 Cl2 Co N7 O3 -","- C14 H21 Cl2 Co N7 O3 -","- C28 H42 Cl4 Co2 N14 O6 -","2","0.5","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0385","0.0331","","","0.0863","0.092","","","","","","1.117","","","","has coordinates","267859","2021-07-31","08:58:33",""
"1564927","12.334","0.002","34.44","0.008","13.084","0.002","90","","94.47","0.02","90","","5541","1.8","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cu I Mn3 N12 O12 -","- C75 H66 Cu I Mn3 N12 O12 -","- C150 H132 Cu2 I2 Mn6 N24 O24 -","2","0.5","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","x-ray","0.71073","MoKα","","0.5056","0.1917","","","0.4391","0.5919","","","","","","0.955","","","","has coordinates","269954","2021-10-14","22:17:34",""
"1564928","12.335","0.003","33.732","0.007","13.089","0.003","90","","93.23","0.03","90","","5437","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C87 H90 Br Cu Mn3 N12 O12 -","- C87 H90 Br Cu Mn3 N12 O12 -","- C174 H180 Br2 Cu2 Mn6 N24 O24 -","2","0.5","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","0.71073","Synchrotron","","0.2891","0.1624","","","0.4192","0.4936","","","","","","1.094","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1564929","12.3865","0.0006","33.158","0.002","13.0706","0.0006","90","","94.014","0.004","90","","5355.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C89 H82 Cl Cu Mn3 N12 O12 -","- C89 H82 Cl Cu Mn3 N12 O12 -","- C178 H164 Cl2 Cu2 Mn6 N24 O24 -","2","0.5","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","x-ray","0.71073","MoKα","","0.1897","0.0999","","","0.2585","0.3044","","","","","","1.019","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1564933","12.374","0.003","32.954","0.007","25.956","0.005","90","","94.92","0.03","90","","10545","4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C78 H70.5 Cl Cu Mn3 N13.5 O12 -","- C78 H70.5 Cl Cu Mn3 N13.5 O12 -","- C312 H282 Cl4 Cu4 Mn12 N54 O48 -","4","1","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","0.71073","Synchrotron","","0.1478","0.1106","","","0.3192","0.3501","","","","","","1.186","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1565229","7.699","0.0001","7.6119","0.0001","8.9599","0.0001","90","","94.873","0.001","90","","523.188","0.011","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Rac-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","0.5","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.035","0.0348","","","0.087","0.0871","","","","","","1.116","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565337","5.982","","20.1705","0.0001","9.655","","90","","104.462","0.001","90","","1128.06","0.008","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H25 Br2 N O2 -","- C25 H25 Br2 N O2 -","- C50 H50 Br4 N2 O4 -","2","0.5","","Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang","Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate","Chemical Science","2021","","","","","10.1039/D1SC06115A","","x-ray","1.54178","CuKα","","0.0206","0.0205","","","0.0514","0.0514","","","","","","1.074","","","","has coordinates,has disorder","270790","2021-11-20","23:12:22",""
"1565528","6.6691","0.0002","22.8845","0.0007","8.3705","0.0003","90","","108.977","0.004","90","","1208.06","0.07","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","x-ray","1.54184","Synchrotron","","0.1687","0.0948","","","0.1766","0.209","","","","","","1.0612","","","","has coordinates","271108","2021-12-04","02:47:39",""
"1565529","6.62655","0.00014","22.8918","0.0004","8.33673","0.00018","90","","109.195","0.002","90","","1194.32","0.04","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","","0.7","synchrotron","","0.1024","0.069","","","0.1604","0.1802","","","","","","1.09","","","","has coordinates","271109","2021-12-04","02:48:02",""
"1565530","6.58484","0.00014","22.9103","0.0005","8.31003","0.00018","90","","109.278","0.002","90","","1183.36","0.05","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","x-ray","0.7","Synchrotron","","0.0776","0.0571","","","0.1497","0.1637","","","","","","1.0632","","","","has coordinates","271110","2021-12-04","02:48:34",""
"1565531","6.6095","0.0001","22.9174","0.0005","8.3274","0.0002","90","","109.247","0.002","90","","1190.87","0.05","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","","0.7","synchrotron","","0.0698","0.0509","","","0.1394","0.153","","","","","","1.054","","","","has coordinates","271111","2021-12-04","02:48:56",""
"1566107","9.3195","0.0008","6.6052","0.0006","11.0657","0.0009","90","","114.095","0.003","90","","621.82","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H12 I3 N -","- C8 H12 I3 N -","- C16 H24 I6 N2 -","2","0.5","","Kamminga, Machteld E.; Gélvez-Rueda, María C.; Maheshwari, Sudeep; van Droffelaar, Irene S.; Baas, Jacob; Blake, Graeme R.; Grozema, Ferdinand C.; Palstra, Thomas T.M.","Electronic mobility and crystal structures of 2,5-dimethylanilinium triiodide and tin-based organic-inorganic hybrid compounds","Journal of Solid State Chemistry","2019","270","","593","600","10.1016/j.jssc.2018.12.029","","","0.71073","MoKα","","0.0205","0.0197","","","0.0512","0.0518","","","","","","1.195","","","","has coordinates","272208","2022-01-24","08:27:54",""
"1566326","12.001","0.003","13.613","0.003","13.753","0.003","90","","109.187","0.004","90","","2122","0.8","210","2","210","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K1.5 O21 Se3 U2 -","- K1.5 O21 Se3 U2 -","- K6 O84 Se12 U8 -","4","1","","Vladislav V. Gurzhiy; Olga V. Tyumentseva; Ilya V. Kornyakov; Sergey V. Krivovichev; Ivan G. Tananaev","The role of potassium atoms in the formation of uranyl selenates: the crystal structure and synthesis of two novel compounds","Journal of GeoSciences","2014","59","","123","133","10.3190/jgeosci.165","","","0.71073","MoKα","","0.0431","0.0289","","","0.0837","0.0867","","","","","","1.036","","","","has coordinates","272829","2022-02-07","08:53:04",""
"1566559","11.6212","","3.4067","","7.3247","","90","","99.9889","","90","","285.589","","298","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Bi O2 -","- Bi O2 -","- Bi4 O8 -","4","1","","Feng, Xuezhen; Zou, Haiyuan; Zheng, Renji; Wei, Wenfei; Wang, Ranhao; Zou, Wensong; Lim, Gukhyun; Hong, Jihyun; Duan, Lele; Chen, Hong","Bi<sub>2</sub>O<sub>3</sub>/BiO<sub>2</sub> Nanoheterojunction for Highly Efficient Electrocatalytic CO<sub>2</sub> Reduction to Formate.","Nano letters","2022","22","4","1656","1664","10.1021/acs.nanolett.1c04683","","","","","","","","","","","","","","","","","","","","","has coordinates","273318","2022-03-04","01:54:46",""
"1567003","11.064","0.0005","13.6074","0.0006","11.4278","0.0005","90","","91.989","0.002","90","","1719.44","0.13","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H22 B Cu F18 N6 -","- C31 H22 B Cu F18 N6 -","- C62 H44 B2 Cu2 F36 N12 -","2","0.5","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0842","0.0534","","","0.1101","0.136","","","","","","1.038","","","","has coordinates,has disorder","276587","2022-07-06","07:53:45",""
"1567096","7.6142","0.0004","7.1461","0.0004","12.6645","0.0007","90","","106.526","0.006","90","","660.63","0.07","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H7.33 Br2 O0.67 -","- C8 H7.33333 Br2 O0.666667 -","- C24 H22 Br6 O2 -","3","0.75","","Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian","Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.","Chemical science","2022","13","26","7886","7891","10.1039/d2sc00765g","","x-ray","1.54184","CuKα","","0.0801","0.0747","","","0.192","0.2058","","","","","","1.076","","","","has coordinates,has disorder","277102","2022-08-06","11:43:23",""
"1567235","11.289","0.002","16.021","0.003","13.684","0.003","90","","107.97","0.03","90","","2354.2","0.9","200","2","200","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C52 H40 B2 F8 N4 P2 Pt -","- C52 H41 B2 F8 N4 P2 Pt -","- C104 H82 B4 F16 N8 P4 Pt2 -","2","0.5","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0627","0.0458","","","0.1047","0.1119","","","","","","1.008","","","","has coordinates,has disorder","276577","2022-07-05","22:10:55",""
"1567283","8.4884","0.0017","6.7183","0.0013","11.755","0.002","90","","108.39","0.03","90","","636.1","0.2","100","2","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","0.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0645","0.0412","","","0.1132","0.1213","","","","","","1.021","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567388","5.8166","0.0001","11.4718","0.0002","9.5696","0.0002","90","","103.897","0.002","90","","619.86","0.02","100.2","0.8","100.2","0.8","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H22 N O3 -","- C12 H22 N O3 -","- C24 H44 N2 O6 -","2","0.5","","Wang, Zhaoyu; Zou, Xinhui; Xie, Yi; Zhang, Haoke; Hu, Lianrui; Chan, Christopher C. S.; Zhang, Ruoyao; Guo, Jing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Williams, Ian D.; Zeng, Zebing; Wong, Kam Sing; Sherrill, C. David; Ye, Ruquan; Tang, Ben Zhong","A nonconjugated radical polymer with stable red luminescence in the solid state.","Materials horizons","2022","9","10","2564","2571","10.1039/d2mh00808d","","x-ray","1.54184","CuKα","","0.0368","0.0357","","","0.0924","0.0931","","","","","","1.047","","","","has coordinates,has disorder","278480","2022-10-07","01:26:37",""
"1567431","6.6079","0.0007","7.2078","0.0006","11.1025","0.0012","90","","97.954","0.009","90","","523.71","0.09","220","2","220","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H13 N S Si -","- C8 H13 N S Si -","- C16 H26 N2 S2 Si2 -","2","0.5","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0354","0.033","","","0.0914","0.0948","","","","","","1.106","","","","has coordinates","277147","2022-08-06","19:38:02",""
"1567459","5.4537","0.0005","38.527","0.004","15.1042","0.0015","90","","93.702","0.004","90","","3167","0.5","300","2","300","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3.35 H4.54 I0.11 N0.22 O0.16 -","- C3.35135 H4.54054 I0.108108 N0.216216 O0.432432 -","- C124 H168 I4 N8 O16 -","37","9.25","","Garain, Swadhin; Ansari, Shagufi Shagufi Naz; Kongasseri, Anju; GARAIN, BIDHAN CHANDRA; Pati, Swapan K.; George, Subi J.","Room Temperature Charge-Transfer Phosphorescence from Organic Donor-Acceptor Co-Crystals","Chemical Science","2022","","","","","10.1039/D2SC03343G","","","0.71073","MoKα","","0.147","0.1088","","","0.2553","0.2799","","","","","","1.141","","","","has coordinates","277194","2022-08-10","22:13:26",""
"1567969","10.8783","0.0003","6.7723","0.0002","12.3368","0.0003","90","","108.519","0.001","90","","861.8","0.04","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H17 I N4 Pt -","- C18 H17 I N4 Pt -","- C36 H34 I2 N8 Pt2 -","2","0.5","","Salthouse, Rebecca J.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Near-infrared electroluminescence beyond 940 nm in Pt(N^C^N)X complexes: influencing aggregation with the ancillary ligand X","Chemical Science","2022","","","","","10.1039/D2SC05023D","","x-ray","0.71073","MoKα","","0.0336","0.0311","","","0.0691","0.0699","","","","","","1.203","","","","has coordinates","279237","2022-11-11","23:22:57",""
"1568409","8.3507","0.001","6.7026","0.0006","15.1667","0.0017","90","","104.077","0.005","90","","823.41","0.15","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 Cl4 N2 -","- C14 H18 Cl4 N2 -","- C28 H36 Cl8 N4 -","2","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0287","0.025","","","0.0662","0.068","","","","","","1.059","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13",""
"1568848","10.7939","0.0001","15.2361","0.0001","13.1834","0.0001","90","","111.731","0.001","90","","2014.02","0.03","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C78 H86 Au2 F8 I4 N4 -","2","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.0992","0.101","","","","","","1.0208","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568939","12.6201","0.0003","23.4471","0.0005","14.4084","0.0003","90","","96.396","0.002","90","","4236.98","0.16","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C89 H108 Mg2 Mo N4 O10 -","- C89 H108 Mg2 Mo N4 O10 -","- C178 H216 Mg4 Mo2 N8 O20 -","2","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0376","0.0321","","","0.0809","0.0839","","","","","","1.029","","","","has coordinates,has disorder","284219","2023-06-05","04:00:21",""
"1568972","10.1202","0.0005","16.297","0.0008","10.7828","0.0005","90","","107.539","0.002","90","","1695.72","0.14","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H45 B Cl5 Ga N2 -","- C29 H45 B Cl5 Ga N2 -","- C58 H90 B2 Cl10 Ga2 N4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0476","0.0394","","","0.0932","0.0989","","","","","","1.028","","","","has coordinates","284892","2023-07-05","09:41:59",""
"1568973","10.6403","0.0013","16.18","0.002","10.8244","0.0012","90","","111.793","0.004","90","","1730.3","0.4","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29 H43 B Cl5 Ga N2 O2 -","- C29 H43 B Cl5 Ga N2 O2 -","- C58 H86 B2 Cl10 Ga2 N4 O4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0738","0.0711","","","0.1884","0.1899","","","","","","1.128","","","","has coordinates","284892","2023-07-05","09:42:00",""
"1569244","11.2089","0.0005","11.4407","0.0004","18.1308","0.0008","90","","105.764","0.004","90","","2237.6","0.17","123","1","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H30 Br Fe P5 -","- C17 H29.5 Br Fe P5 -","- C68 H118 Br4 Fe4 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0483","0.0349","","","0.0752","0.0807","","","","","","1.064","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569551","9.7239","0.0007","9.09","0.0005","11.1927","0.0008","90","","97.359","0.007","90","","981.18","0.11","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H32.97 B Br0.03 -","- C22 H32.966 B Br0.034 -","- C44 H65.932 B2 Br0.068 -","2","0.5","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones <i>via</i> transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.1138","0.0809","","","0.2164","0.2398","","","","","","0.925","","","","has coordinates,has disorder","286077","2023-09-05","19:23:31",""
"1569614","10.482","0.0006","36.766","0.002","11.9467","0.0007","90","","112.166","0.002","90","","4263.8","0.4","173","2","172.97","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C88 H123 Al3 N6 O0 S Y2 -","- C88 H123 Al3 N6 S Y2 -","- C176 H246 Al6 N12 S2 Y4 -","2","0.5","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34139","GaKα","","0.0621","0.0528","","","0.1444","0.1515","","","","","","1.066","","","","has coordinates,has disorder","286069","2023-09-05","19:21:40",""
"1569673","12.337","0.003","32.664","0.007","12.964","0.003","90","","93.65","0.03","90","","5214","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42.55 H39.8 Br0.35 Mn1.85 N6 O8.05 -","- C42.55 H39.8 Br0.35 Mn1.85 N6 O8.05 -","- C170.2 H159.2 Br1.4 Mn7.4 N24 O32.2 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.137","0.1105","","","0.3109","0.3311","","","","","","1.039","","","","has coordinates,has disorder","286717","2023-10-05","23:52:54",""
"1569674","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.375 H46.6 Br0.35 Mn1.85 N6 O7.775 -","- C177.5 H186.4 Br1.4 Mn7.4 N24 O31.1 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1433","0.108","","","0.3106","0.338","","","","","","1.24","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569675","12.344","0.003","32.785","0.007","12.996","0.003","90","","93.93","0.03","90","","5247","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43.5 H43.8 Br0.35 Mn1.85 N6 O7.95 -","- C43.55 H43.8 Br0.35 Mn1.85 N6 O8 -","- C174.2 H175.2 Br1.4 Mn7.4 N24 O32 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1506","0.1136","","","0.3302","0.3554","","","","","","1.289","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569676","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C177.2 H186.4 Br1.4 Mn7.4 N24 O30.8 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1519","0.1137","","","0.3233","0.3543","","","","","","1.293","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569677","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H43.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C177.2 H186.4 Br1.4 Mn7.4 N24 O30.8 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1378","0.1121","","","0.3294","0.3533","","","","","","1.404","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569678","12.4279","0.0011","33.146","0.003","12.9816","0.0013","90","","95.071","0.008","90","","5326.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H40.5 Br0.5 Mn2 N8.5 O6.25 -","- C43 H40.5 Br0.5 Mn2 N8.5 O6.5 -","- C172 H162 Br2 Mn8 N34 O26 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.6889","Synchrotron","","0.3346","0.1303","","","0.3507","0.3995","","","","","","0.907","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569679","12.4134","0.0013","33.362","0.004","12.9953","0.0013","90","","95.565","0.009","90","","5356.5","1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H35.75 Br0.5 Mn2 N7.5 O7.5 -","- C42 H37.25 Br0.375 Mn2 N7.5 O7.5 -","- C168 H149 Br1.5 Mn8 N30 O30 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.6889","Synchrotron","","0.2576","0.1209","","","0.3187","0.353","","","","","","0.878","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569883","8.1283","0.0002","21.3822","0.0007","8.6376","0.0002","90","","101.713","0.003","90","","1469.96","0.07","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","","- C7 H14 Br N3 -","- C7 H14 Br N3 -","- C42 H84 Br6 N18 -","6","1.5","HB4448","Maynard, Aaron; Keller, Taylor M.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","IUCrData","2023","8","9","","","10.1107/S2414314623007848","","x-ray","0.71073","MoKα","","0.0314","0.0224","","","0.0494","0.0516","","","","","","1.038","","","","has coordinates,has disorder","286353","2023-09-15","01:55:43",""
"1569953","17.3052","0.0012","9.0255","0.001","17.3209","0.0018","90","","119.957","0.002","90","","2343.9","0.4","193","","193","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C53 H55 O13 P3 -","- C53 H55 O13 P3 -","- C106 H110 O26 P6 -","2","0.5","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1391","0.0848","","","0.2114","0.2581","","","","","","1.048","","","","has coordinates,has disorder","287297","2023-11-06","06:45:10",""
"1570163","11.7527","0.0003","28.5642","0.0006","17.9883","0.0004","90","","106.088","0.001","90","","5802.3","0.2","170","","170","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C124 H176 Al3 O3 U3 -","- C124 H175.5 Al3 O3 U3 -","- C248 H351 Al6 O6 U6 -","2","0.5","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","1.54178","CuKα","","0.0609","0.0609","","","0.1611","0.1611","","","","","","1.199","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570741","6.2764","0.0002","23.0661","0.0008","6.4271","0.0002","90","","96.433","0.001","90","","924.61","0.05","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(morpholin-4-ium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C8 H20 Ge I4 N2 O2 -","- C8 H20 Ge I4 N2 O2 -","- C16 H40 Ge2 I8 N4 O4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","x-ray","1.34139","GaKα","","0.0331","0.0325","","","0.0822","0.0827","","","","","","1.061","","","","has coordinates","288976","2024-01-09","19:19:48",""
"1570752","9.0356","0.0002","12.1065","0.0002","4.9329","0.0001","90","","100.421","0.002","90","","530.707","0.018","","","120","","","","100","","","","","7","P 1 21/m 1","-P 2yb","11","Ba(Fe0.82Mg0.18)2(Al0.91Fe0.09)2(PO4)3(OH)3 at 120 K","","kulanite at 120 K","- Al1.82 Ba Fe1.82 H3 Mg0.36 O15 P3 -","- Al1.826 Ba Fe1.818 H3 Mg0.356 O15 P3 -","- Al3.652 Ba2 Fe3.636 H6 Mg0.712 O30 P6 -","2","0.5","","Yamane, R.; Tokuda, M.; Sugiyama, K.","Determination of orientational ordering of hydroxy groups in kulanite between 120-353 K using single-crystal X-ray diffraction","Journal of Mineralogical and Petrological Sciences","2023","","","1","6","10.2465/jmps.220701","","","","","","","","","","","","","","","","","","","","","has coordinates","289015","2024-01-10","02:59:07",""
"1570836","7.1135","0.0003","7.7569","0.0003","8.8801","0.0004","90","","91.575","0.003","90","","489.81","0.04","282.01","0.1","282.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 Cd Cl2 N3 -","- C6 H11 Cd Cl2 N3 -","- C12 H22 Cd2 Cl4 N6 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0664","0.0641","","","0.1819","0.1906","","","","","","1.042","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570838","7.2184","0.0002","8.1651","0.0002","8.9205","0.0002","90","","90.782","0.002","90","","525.72","0.02","282","2","282","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 Br2 Cd N3 O0 -","- C6 H11 Br2 Cd N3 -","- C12 H22 Br4 Cd2 N6 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0498","0.0491","","","0.1376","0.1383","","","","","","1.09","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570867","10.3335","0.0002","14.7221","0.0004","13.4584","0.0004","90","","97.826","0.002","90","","2028.37","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","rac-Sb","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C54 H120 Cl12 N4 O24 Sb2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","x-ray","0.71073","MoKα","","0.1118","0.1023","","","0.2833","0.2917","","","","","","1.051","","","","has coordinates,has disorder","290840","2024-04-04","22:46:24",""
"1571378","5.0459","0.0009","9.373","0.002","9.5454","0.0018","90","","96.187","0.018","90","","448.82","0.15","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H7 F3 N4 O2 -","- C7 H7 F3 N4 O2 -","- C14 H14 F6 N8 O4 -","2","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.0932","0.0665","","","0.1881","0.2204","","","","","","1.062","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571447","8.6747","0.0005","6.9706","0.0005","12.3186","0.0006","90","","107.234","0.006","90","","711.44","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","'2,4-dibromo-6-(3,3-dimethyl-3H-indol-2-yl)phenol'","","- C16 H13 Br2 N O -","- C16 H13 Br2 N O -","- C32 H26 Br4 N2 O2 -","2","0.5","","Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien","Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.","Chemical science","2024","15","19","7206","7218","10.1039/d4sc01937g","","x-ray","0.71073","MoKα","","0.0331","0.0199","","","0.0326","0.0347","","","","","","1.0353","","","","has coordinates","292889","2024-07-05","14:57:55",""
"1571568","10.9292","0.0002","15.7523","0.0003","12.3261","0.0003","90","","95.5","0.002","90","","2112.29","0.08","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","FEYLLS","","- C52 H50 Fe O4 -","- C52 H50 Fe O4 -","- C104 H100 Fe2 O8 -","2","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","K-L~2,3~","0.0648","0.0609","","","0.1664","0.1733","","","","","","1.067","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571697","7.5018","0.0006","10.4685","0.0007","9.002","0.0007","90","","108.336","0.004","90","","671.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","0.5","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","1.54178","CuKα","","0.0517","0.0478","","","0.1273","0.1306","","","","","","1.071","","","","has coordinates","292865","2024-07-05","14:07:28",""
"2000039","10.342","0.003","15.176","0.003","13.515","0.003","90","","93.55","0.02","90","","2117.11","","","","252.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H46 Cl12 Mo6 O2 P2 -","- C30 Cl22 Mo8 P2 -","- C60 Cl44 Mo16 P4 -","2","0.5","","Ehrlich, Grant M.; Deng, Haibin; Hill, Laurie I.; Steigerwald, M. L.; Squattrito, Philip J.; DiSalvo, Francis J.","Synthesis and Characterization of cis-[Mo~6~Cl~8~(Cl~4~)(P(C~2~H~5~)~3~)~2~] · 2THF","Inorganic Chemistry","1995","34","9","2480","2482","10.1021/ic00113a036","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000242","9.282","0.002","14.338","0.006","9.551","0.004","90","","109.71","0.03","90","","1196.6","0.8","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H36 B N -","- C30 H36 B N -","- C60 H72 B2 N2 -","2","0.5","CR0304","King, Jnr, J. A.; Bryant, Jnr, G. L.","Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt","Acta Crystallographica Section C","1991","47","10","2249","2252","10.1107/S0108270191005152","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","205956","2020-10-21","18:00:00",""
"2000575","10.85","0.005","8.206","0.004","10.78","0.004","90","","114.07","0.03","90","","876.3","0.7","130","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C8 H16 O4 -","- C8 H19.5 O4 -","- C32 H78 O16 -","4","1","AB1001","Olmstead, M. M.; Hobbs, J. L.; Planalp, R. P.","Structure of a polydentate alkoxide ligand, <i>cis</i>-tetrahydroxytetramethylcyclobutane","Acta Crystallographica Section C","1992","48","10","1902","1904","10.1107/S0108270192006425","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.13","1.13","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2000585","4.413","0.002","14.585","0.009","6.7","0.004","90","","104.3","0.04","90","","417.9","0.4","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- B5 Ba2 Li O10 -","- B5 Ba2 Li O10 -","- B10 Ba4 Li2 O20 -","2","0.5","LI0114","Huang, Q.; Lu, S.; Dai, G.; Liang, J.","A new type of borate double salt: structure of LiBa~2~B~5~O~10~","Acta Crystallographica Section C","1992","48","9","1576","1578","10.1107/S0108270191013549","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000674","7.914","0.002","30.983","0.003","6.629","0.001","90","","102.38","0.01","90","","1587.6","0.5","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- C38 H25 Fe N8 -","- C38 H25 Fe N8 -","- C76 H50 Fe2 N16 -","2","0.5","PA0263","Bravic, G.; Gaultier, J.; Chasseau, D.; Lequan, R. M.; Lequan, M.","Structure of (η^5^-cyclopentadienyl)(η^6^-1,3,5-trimethylbenzene)iron-7,7,8,8-tetracyano-<i>p</i>-quinodimethane (1/2)","Acta Crystallographica Section C","1992","48","8","1425","1428","10.1107/S0108270192000532","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000981","7.007","0.001","8.468","0.002","9.537","0.004","90","","109.4","0.4","90","","533.8","1.3","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 Cl2 Co -","- C10 H11 Cl2 Co -","- C20 H22 Cl4 Co2 -","2","0.5","BX0559","Sens, I.; Ruhlandt-Senge, K.; Müller, U.","Cobaltocenium-hydrogendichlorid, [CoCp~2~]HCl~2~","Acta Crystallographica Section C","1992","48","4","742","743","10.1107/S0108270191011472","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2001661","11.45","0.002","8.409","0.002","9.847","0.001","90","","95.28","0.01","90","","944.1","0.3","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 O19 Rb2 Si8 -","- Cu2 O19 Rb2 Si8 -","- Cu4 O38 Rb4 Si16 -","2","0.5","OH1000","Watanabe, I.; Kawahara, A.","Structure of a synthetic double-layer silicate, Rb~2~Cu~2~Si~8~O~19~","Acta Crystallographica Section C","1993","49","5","854","856","10.1107/S0108270192011892","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2001701","7.2","0.002","7.477","0.002","9.144","0.003","90","","108.95","0.01","90","","465.6","0.2","291","1","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Br4 K2 Zn -","- Br4 K2 Zn -","- Br8 K4 Zn2 -","2","0.5","AL9484","Fábry, J.; Breczewski, T.; Zúñiga, F. J.; Arnaiz, A. R.","Structure determination of K~2~ZnBr~4~ at 291 and 144 K","Acta Crystallographica Section C","1993","49","5","946","950","10.1107/S0108270192009508","","","1.54056","CuKαradiationforpowderdiffraction","","","0.0282","","","0.0315","","","","","1.123","1.123","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2001943","9.918","0.002","15.395","0.003","13.453","0.002","90","","103.68","0.01","90","","1995.8","0.6","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C51 H36 Cl Mn N4 -","- C51 H36 Cl Mn N4 -","- C102 H72 Cl2 Mn2 N8 -","2","0.5","MU0291","Armstrong, R. S.; Foran, G. J.; Hambley, T. W.","Structure of chloro(α,β,γ,δ-tetraphenylporphinato)manganese(III) toluene solvate","Acta Crystallographica Section C","1993","49","2","236","238","10.1107/S0108270192007133","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2002154","8.739","0.002","5.9124","0.0011","9.44","0.002","90","","115.209","0.013","90","","441.3","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Barium manganese silver oxide arsenate","","- Ag2 As4 Ba4 Mn2 O17 -","- Ag2 As4 Ba4 Mn2 O17 -","- Ag2 As4 Ba4 Mn2 O17 -","1","0.25","","Staack, M; Mueller-Buschbaum, Hk","Ba4 Mn2 Ag2 O (As O4)4, ein Barium-Mangan-Oxid-Arsenat mit nichtlinearen O-Ag-O - Hanteln.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","512","516","","","","","","","0.0555","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002181","6.566","","3.567","","5.894","","90","","92.3","","90","","137.9","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Calcium holmium oxide (1/1/2.5)","","- Ca Ho O2.5 -","- Ca Ho O2.4999 -","- Ca2 Ho2 O4.9998 -","2","0.5","","Muschick, W; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallchemie dreiwertiger Seltenerdoxide. Zur Stabilisierung der monoklinen b-Form","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","495","498","","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002325","6.502","","3.524","","5.845","","90","","92.3","","90","","133.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Calcium thulium oxide (0.5/1.5/2.8)","","- Ca0.5 O2.75 Tm1.5 -","- Ca0.5 O2.751 Tm1.5 -","- Ca O5.502 Tm3 -","2","0.5","","Muschick, W; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallchemie dreiwertiger Seltenerdoxide zur Stabilisierung der monoklinen B-Form","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","495","498","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002477","11.04","0.003","4.37","0.001","13.98","0.005","90","","91.29","0.024","90","","674.3","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium copper(I) dioxide iodide","","- Ba2 Cu I O2 -","- Ba2 Cu I O2 -","- Ba8 Cu4 I4 O8 -","4","1","","Boehlke, A; Mueller-Buschbaum, Hk","Ba2 Cu O2 I: Eine Verbindung mit neuem Strukturtyp und ein Beitrag ueber Ba2 Cu O2 Br mit Ba2 Cu O2 Cl-Struktur","Journal of the Less-Common Metals","1990","158","","311","317","10.1016/0022-5088(90)90066-S","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002654","10.7144","0.0018","6.0282","0.0011","8.3365","0.0018","90","","98.075","0.018","90","","533.1","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Potassium manganese tetracopper trivanadium oxide","","- Cu4 K Mg O13 V3 -","- Cu4 K Mg O13 V3 -","- Cu8 K2 Mg2 O26 V6 -","2","0.5","","von Postel, M; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur non K Mg Cu4 V3 O13","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1713","1716","10.1002/zaac.19936191014","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002671","5.162","0.002","10.885","0.004","8.699","0.004","90","","95.73","0.07","90","","486.3","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dicopper ytterbium tris(molybdat)","","- Cu2 Mo3 O12 Yb -","- Cu2 Mo3 O12 Yb -","- Cu4 Mo6 O24 Yb2 -","2","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Zur Kristallchemie eines neuen Oxomolybdats: Cu2 Yb Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","257","260","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002831","10.7279","0.001","6.1547","0.0009","8.363","0.002","90","","97.684","0.014","90","","547.2","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Potassium cadmium copper tetracuprotrivanadate (1/0.67/0.33/1)","","- Cd0.67 Cu4.33 K O13 V3 -","- Cd0.67 Cu4.33 K O13 V3 -","- Cd1.34 Cu8.66 K2 O26 V6 -","2","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Zu Ba Mg2 Cu8 V6 O26 isotype Alkalimetall-Cadmium-Kupferoxovanadate K Cd0.67 Cu4.33 V3 O13, Rb Cd0.5 Cu4.5 V3 O13 sowie Tl Cd0.5 Cu4.5 V3 O13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","639","642","","","","","","","0.0347","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002832","10.746","0.003","6.1625","0.0014","8.3497","0.0013","90","","97.727","0.014","90","","547.9","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Rubidium cadmium copper tetracuprotrivanadate (1/0.5/0.5/1)","","- Cd0.5 Cu4.5 O13 Rb V3 -","- Cd0.5 Cu4.5 O13 Rb V3 -","- Cd Cu9 O26 Rb2 V6 -","2","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Zu Ba Mg2 Cu8 V6 O26 isotype Alkalimetall-Cadmium-Kupferoxovanadate K Cd0.67 Cu4.33 V3 O13, Rb Cd0.5 Cu4.5 V3 O13 sowie Tl Cd0.5 Cu4.5 V3 O13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","639","642","","","","","","","0.0656","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002833","10.746","0.003","6.175","0.002","8.337","0.003","90","","97.61","0.05","90","","548.3","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Thallium cadmium copper tetracuprotrivanadate (1/0.5/0.5/1)","","- Cd0.5 Cu4.5 O13 Tl V3 -","- Cd0.5 Cu4.5 O13 Tl V3 -","- Cd Cu9 O26 Tl2 V6 -","2","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Zu Ba Mg2 Cu8 V6 O26 isotype Alkalimetall-Cadmium-Kupferoxovanadate K Cd0.67 Cu4.33 V3 O13, Rb Cd0.5 Cu4.5 V3 O13 sowie Tl Cd0.5 Cu4.5 V3 O13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","639","642","","","","","","","0.0852","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002872","8.3261","0.0057","6.0336","0.0028","10.6695","0.0043","90","","97.902","0.092","90","","530.9","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Barium dimagnesium octacopper hexavanadium oxide","","- Ba Cu8 Mg2 O26 V6 -","- Ba Cu8 Mg2 O26 V6 -","- Ba Cu8 Mg2 O26 V6 -","1","0.25","","Vogt, R; Mueller-Buschbaum, Hk","Ein neuer Strukturtyp mit trigonal-bipyramidaler Koordination von Kupfer: Ba Mg2 Cu8 V6 O26","Journal of Alloys Compd.","1991","176","","69","76","10.1016/0925-8388(91)90011-J","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003019","7.858","0.003","14.442","0.002","16.807","0.003","90","","92.26","0.02","90","","1905.9","0.8","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C21 H15 Bi O6 -","- C42 H30 Bi2 O12 -","- C168 H120 Bi8 O48 -","4","1","MU0326","Rae, A. D.; Gainsford, G. J.; Kemmitt, T.","Disordered Structure of Polymeric Bismuth Tribenzoate, [Bi(C~6~H~5~COO)~3~]~<i>n~</i>","Acta Crystallographica Section B","1998","54","4","438","442","10.1107/S0108768197017862","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003212","11.144","0.003","15.667","0.004","13.048","0.005","90","","96.32","0.03","90","","2264.2","1.2","140","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H24 Cl2 Ir6 O14 P2 -","- C40 Cl2 Ir6 O14 P2 -","- C80 Cl4 Ir12 O28 P4 -","2","0.5","","Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.","Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","217","219","10.1107/S010827019400569X","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003370","8.931","0.002","11.303","0.006","9.143","0.002","90","","103.47","0.02","90","","897.6","0.6","293","1","","","","","","","","","Slow diffusion of water into a methanol solution at 277 K","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H24 B10 Si -","- C11 H24 B10 Si -","- C22 H48 B20 Si2 -","2","0.5","MU1122","McGrath, T. D.; Welch, A. J.","Steric Effects in Heteroboranes. V. 1-Ph-2-Me~3~Si-1,2-<i>closo</i>-C~2~B~10~H~10~","Acta Crystallographica Section C","1995","51","4","651","654","10.1107/S010827019400908X","","","0.71069","MoKα","","","0.0643","","","0.0892","","","","","1.341","1.341","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003643","6.7214","0.0006","13.8558","0.0007","7.2764","0.0004","90","","105.927","0.006","90","","651.64","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Al4 F9 K3 O8 P2 -","- Al4 F9 K3 O8 P2 -","- Al8 F18 K6 O16 P4 -","2","0.5","BR1099","Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem'yanets, L. N.","A New Type of Mixed Anionic Framework in the Structure of K~3~[Al~4~F~9~(PO~4~)~2~]","Acta Crystallographica Section C","1995","51","7","1246","1249","10.1107/S0108270195000576","","","1.54178","CuKα","","0.0381","0.0333","","0.0912","0.0879","","","","1.03","1.056","1.056","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003992","10.9547","0.0009","8.4281","0.0007","18.962","0.002","90","","90.314","0.007","90","","1750.7","0.3","150","","150","","","","","","","","from silicate melt","4","P 1 21/m 1","-P 2yb","11","cesium-lithium phyllosilicate","cesium-lithium phyllosilicate'","","- Cs1.33 Li0.67 O5 Si2 -","- Cs1.33333 Li0.666667 O5 Si2 -","- Cs16 Li8 O60 Si24 -","12","3","BR1107","Veldman, N.; Spek, A. L.; Supèr, H. T. J.; de Jong, B. H. W. S.","Caesium‒Lithium Phyllosilicate, Cs~1.33~Li~0.67~Si~2~O~5~","Acta Crystallographica Section C","1995","51","10","1972","1975","10.1107/S0108270195005257","","","0.71073","MoKα","","0.0452","0.0394","","0.115","0.144","","","","1.13","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004124","10.6883","0.0006","18.27","0.002","10.9819","0.0007","90","","117.706","0.005","90","","1898.6","0.3","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H57 Cl O6 Zr -","- C33 H57 Cl O6 Zr -","- C66 H114 Cl2 O12 Zr2 -","2","0.5","DU1125","Jardin, M.; Gao, Y.; Guéry, J.; Jacoboni, C.","Chlorotris(2,2,6,6-tetramethyl-3,5-heptanedionato-<i>O</i>,<i>O</i>')zirconium(IV)","Acta Crystallographica Section C","1995","51","11","2230","2232","10.1107/S0108270195006494","","","0.71073","MoKα","","","0.041","","","0.041","","","","","1.212","1.212","","","","","has coordinates","192024","2020-10-21","18:00:00",""
"2004231","11.274","0.002","14.2626","0.0009","12.375","0.001","90","0.006","114.56","0.01","90","0.008","1809.8","0.4","293","","293","","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","fac-tricarbonylrheniumbis[μ-methylaminobis(difluorophosphine)]triphenyl phosphineplatinum(Re-Pt) trifluoromethanesulfonate","","- C24 H21 F11 N2 O6 P5 Pt Re S -","- C24 H21 F11 N2 O6 P5 Pt Re S -","- C48 H42 F22 N4 O12 P10 Pt2 Re2 S2 -","2","0.5","CR1192","Mague, J. T.; Lin, Z.","A Cationic Rhenium‒Platinum Complex: <i>fac</i>-Tricarbonylrhenium-bis[μ-methylaminobis(difluorophosphine)]-triphenylphosphineplatinum Trifluoromethanesulfonate","Acta Crystallographica Section C","1995","51","12","2508","2510","10.1107/S0108270195006470","","","0.71073","Mo-Kα","","0.046","0.028","","","0.039","","","","","1.327","1.327","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2004390","4.927","0.002","19.119","0.009","7.93","0.004","90","","94.77","0.03","90","","744.4","0.6","295","1","295","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[Aqua2(2-aminopyrimidine)-μ-o,o~,~ -copper(II)] dihydrate","","- C8 H16 Cu N6 O7 S -","- C8 H16 Cu N6 O7 S -","- C16 H32 Cu2 N12 O14 S2 -","2","0.5","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.065","0.039","","0.042","0.035","","","","1.742","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004683","11.323","0.002","17.602","0.004","9.852","0.002","90","","101.94","0.02","90","","1921.1","0.7","298","","","","","","","","","","","3","P 1 21/m 1","","","","","","- C75 H14 O2 -","- C72.5 H14 O2 -","- C145 H28 O4 -","2","0.5","AS1208","Tezuka, Y.; Kawasaki, N.; Yajima, H.; Ishii, T.; Oyama, T.; Takeuchi, K.; Nakao, A.; Katayama, C.","Bis(4-methoxyphenyl)methano[60]fullerene with a Methano Bridge at the 6‒6-Ring Junction","Acta Crystallographica Section C","1996","52","4","1008","1010","10.1107/S0108270195013096","","","0.71073","MoKα","","","0.041","","","0.038","","","","","0.756","0.756","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004846","12.0939","0.0007","15.464","0.004","16.854","0.002","90","","105.295","0.006","90","","3040.4","0.9","20","","20","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","bis(pentamethylcyclopentadienyl)tetra(μ-iodo)dimolybdenum(III,IV) tetraiodoferrate(III), inclusion complex with bis(pentamethylcyclopentadienyl)di(μ-iodo)(μ-oxo)diiododimolybdenum(IV)","","- C40 H60 Fe I12 Mo4 O -","- C40 H60 Fe I12 Mo4 O -","- C80 H120 Fe2 I24 Mo8 O2 -","2","0.5","BK1202","Gordon, J. C.; Fanwick, P. E.; Poli, R.","[(η^5^-C~5~Me~5~)~2~Mo~2~(μ-I)~4~]^+^[FeI~4~]^{-^}.[(η^5^-C~5~Me~5~)~2~Mo~2~I~2~(μ-I)~2~(μ-O)]","Acta Crystallographica Section C","1996","52","5","1098","1101","10.1107/S0108270195016283","","","0.71073","MoKα","","0.048","0.048","","","0.063","","","","","1.619","1.619","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005225","4.655","0.002","8.565","0.003","9.103","0.003","90","","97.8","0.01","90","","359.6","0.2","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dicobalt tripolyphosphate","","- Co2 Li O10 P3 -","- Co2 Li O10 P3 -","- Co4 Li2 O20 P6 -","2","0.5","BR1124","Erragh, F.; Boukhari, A.; Holt, E. M.","Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate","Acta Crystallographica Section C","1996","52","8","1867","1869","10.1107/S010827019501643X","","","0.71073","MoKα","","","0.034","","","0.046","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005226","4.576","0.001","8.356","0.001","8.921","0.001","90","","98.08","0.01","90","","337.73","0.09","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dinickel tripolyphosphate","","- Li Ni2 O10 P3 -","- Li Ni2 O10 P3 -","- Li2 Ni4 O20 P6 -","2","0.5","BR1124","Erragh, F.; Boukhari, A.; Holt, E. M.","Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate","Acta Crystallographica Section C","1996","52","8","1867","1869","10.1107/S010827019501643X","","","0.71073","MoKα","","","0.052","","","0.063","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005305","7.175","0.001","12.0275","0.0008","7.275","0.001","90","","95.51","0.009","90","","624.91","0.13","294","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","0.5","TA1064","Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.","Two Methylated Hexacyclic Cage Diketones","Acta Crystallographica Section C","1996","52","8","2061","2063","10.1107/S0108270196001667","","","0.71073","MoKα","","","0.0676","","","0.0805","","","","","2.1","2.1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005445","5.766","0.001","7.46","0.001","7.267","0.003","90","","92.45","0.03","90","","312.3","0.15","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 Br S -","- C3 H9 Br S -","- C6 H18 Br2 S2 -","2","0.5","AB1364","Svensson, P. H.; Kloo, L.","Trimethylsulfonium Bromide","Acta Crystallographica Section C","1996","52","10","2580","2581","10.1107/S0108270196006610","","","0.71069","MoKα","","","0.025","","","0.026","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005535","8.127","0.001","6.985","0.001","9.306","0.002","90","","97.2","0.01","90","","524.11","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","","- C11 H11 F N2 S -","- C11 H11 F N2 S -","- C22 H22 F2 N4 S2 -","2","0.5","NA1235","Bruno, G.; Chimirri, A.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.","1-Fluoromethyl-1-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1996","52","10","2531","2533","10.1107/S0108270196006026","","","0.71073","MoKα","","0.0369","0.0321","","0.0894","0.0844","","","","1.09","1.09","1.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005890","7.891","0.006","24.846","0.017","8.324","0.006","90","","101.46","0.06","90","","1599","2","297","1","297","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","trisodium phosphonoacetate decahydrate","","- C2 H22 Na3 O15 P -","- C2 H22 Na3 O15 P -","- C8 H88 Na12 O60 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0719","0.0372","","0.1027","0.0922","","","","1.019","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005942","8.641","0.003","13.064","0.002","10.945","0.003","90","","106.861","0.002","90","","1182.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Triphenylphosphonium tetradecahydro-nido-undecaborate(-1)","","- C18 H30 B11 P -","- C18 H30 B11 P -","- C36 H60 B22 P2 -","2","0.5","MU1262","McGrath, T. D.; McGrathand, A. J.","[Ph~3~PH][<i>nido</i>-B~11~H~14~]","Acta Crystallographica Section C","1997","53","2","229","231","10.1107/S0108270196013303","","","0.71073","MoKα","","0.123","0.0594","","0.1653","0.1497","","","","1.028","1.255","1.255","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005994","8.472","0.002","7.107","0.002","6.533","0.002","90","","99.84","0.02","90","","387.57","0.19","299","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 N O S -","- C3 H8.5 N0.5 O0.5 S0.5 -","- C6 H17 N O S -","2","0.5","FR1014","Honda, K.; Tsuchiya, T.","3-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-butenethioamide","Acta Crystallographica Section C","1997","53","3","374","376","10.1107/S0108270196013686","","","0.7107","MoKα","","0","0.053","","0","0.058","","","","0","1.29","1.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006255","7.313","0.003","7.122","0.002","7.0719","0.0015","90","","94","0.03","90","","367.4","0.2","158","2","158","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","N-Methylmorpholinium chloride","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C10 H24 Cl2 N2 O2 -","2","0.5","TA1080","Turnbull, Mark M.","<i>N</i>-Methylmorpholinium Chloride","Acta Crystallographica Section C","1997","53","6","818","820","10.1107/S0108270197002710","","","0.71073","MoKα","","0.0329","0.0293","","0.0823","0.0812","","","","1.059","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006531","13.177","0.002","18.645","0.003","21.8","0.003","90","","99.82","0.01","90","","5277.5","1.4","23","","296","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Dipotassium Trieuropium Trihydrogen Hexatitanooctadecatungstodigermanate","","- Eu3 Ge2 H77 K2 O114 Ti6 W18 -","- Eu3 Ge2 K2 O114 Ti6 W18 -","- Eu6 Ge4 K4 O228 Ti12 W36 -","2","0.5","OA1005","Sugeta, Moriyasu; Yamase, Toshihiro","A Tricapped Trigonal Prismatic EuO(H~2~O)~8~ Site in Trihydrogen Tris(octaaquaeuropium) Dipotassium Digermanohexatitanooctadecatungstate(14‒) Tridecahydrate","Acta Crystallographica Section C","1997","53","9","1166","1170","10.1107/S0108270197002941","","","0.7107","MoKα","","","0.066","","","0.057","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006782","8.87","0.002","11.956","0.003","13.699","0.003","90","","103.48","0.02","90","","1412.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H26 Cr N9 S4 -","- C20 H26 Cr N9 S4 -","- C40 H52 Cr2 N18 S8 -","2","0.5","BS1039","María Teresa Garland; Ricardo F. Baggio; Florence Berezovsky; Jean Sala Pala","A Chromium(III) 2,2'-Bipyrimidine (bipym) Complex, (Et~4~N)[Cr(NCS)~4~(bipym)]","Acta Crystallographica Section C","1997","53","12","1803","1805","10.1107/S0108270197010858","","","0.71073","MoKα","","0.0809","0.046","","0.1467","0.1062","","","","0.982","0.999","0.999","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006800","15.605","0.011","15.799","0.007","15.023","0.007","90","0.04","94.43","0.05","90","0.05","3693","4","115","2","115","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","hexahydro-{(30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^] dotriaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene-N^1^:N^19^)} -di-boron (CH~2~Cl~2~ solvate)","","- C34.5 H51 B2 Cl N2 O5 -","- C34.51 H49.74 B2 Cl1.02 N2 O5 -","- C138.04 H198.96 B8 Cl4.08 N8 O20 -","4","1","FG1282","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1827","1832","10.1107/S0108270197009566","","","0.71073","MoKα","","0.135","0.077","","0.183","0.158","","","","1.034","1.193","1.193","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007227","6.1119","0.0012","11.047","0.002","6.7488","0.0013","90","","101.23","0.03","90","","446.94","0.15","208","2","208","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 O3 W -","- C9 H6 O3 W -","- C18 H12 O6 W2 -","2","0.5","FR1065","Oh, Jane M.; Geib, Steven J.; Cooper, N. John","The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~]","Acta Crystallographica Section C","1998","54","5","581","583","10.1107/S0108270197009955","","","0.71073","MoKα","","0.0283","0.0257","","0.0738","0.0713","","","","1.259","1.262","1.262","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007267","10.228","0.004","25.01","0.009","10.823","0.005","90","","114.59","0.03","90","","2517.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(μ-dicyclohexyl)(μ-chloro)bis(triphenylphosphane-tricarbonyl-rhenium)","","- C54 H52 Cl O6 P3 Re2 -","- C54 H49 Cl O6 P3 Re2 -","- C108 H98 Cl2 O12 P6 Re4 -","2","0.5","QA0036","Flörke, Ulrich","μ-Chloro-(μ-dicyclohexylphosphanido)bis[tricarbonyl(triphenylphosphine)rhenium]","Acta Crystallographica Section C","1998","54","5","IUC9800017","","10.1107/S0108270198099703","","","0.71073","MoKα","","0.0959","0.0469","","0.1347","0.0903","","","","1.045","1.023","1.023","","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2007530","4.2308","0.0003","14.2071","0.0009","7.0308","0.0005","90","","101.961","0.001","90","","413.43","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,6-dibromo-4-nitroaniline","2,6-dibromo-4-nitroaniline","","- C6 H4 Br2 N2 O2 -","- C6 H4 Br2 N2 O2 -","- C12 H8 Br4 N4 O4 -","2","0.5","HA1207","Bryant, Richard; James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy","2,6-Dibromo-4-nitroaniline","Acta Crystallographica Section C","1998","54","8","1113","1115","10.1107/S0108270198001814","","","0.71073","MoKα","","0.0666","0.0588","","0.1477","0.1459","","","","0.994","1.145","1.145","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008621","8.5125","0.0002","18.262","0.0004","11.2164","0.0002","90","","105.328","0.001","90","","1681.62","0.06","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28 H24 Cl8 P2 Pd -","- C28 H24 Cl8 P2 Pd -","- C56 H48 Cl16 P4 Pd2 -","2","0.5","QA0124","Juanatey, Pilar; Suárez, Antonio; López, Margarita; Vila, José M.; Ortigueira, Juan M.; Fernández, Alberto","<i>cis</i>-[1,2-Bis(diphenylphosphino)ethene]dichloropalladium(II) bis(trichloromethane) solvate","Acta Crystallographica Section C","1999","55","6","IUC9900062","","10.1107/S0108270199099345","","","0.71073","MoKα","","0.054","0.041","","","","0.116","","","","","","1.028","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008743","6.5333","0.0002","7.9424","0.0004","10.2197","0.0004","90","","100.966","0.002","90","","520.62","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cobalt nitropentaammiacate hexafluorosilicon","","","- Co F6 H15 N6 O2 Si -","- Co F6 H15 N6 O2 Si -","- Co2 F12 H30 N12 O4 Si2 -","2","0.5","AV1028","Naumov, Dmitry Yu.; Kashcheeva, Natalia E.; Boldyreva, Elena V.; Howard, Judith A. K.","Pentaamminenitrocobalt(III) hexafluorosilicate(IV) at 293 and 150K","Acta Crystallographica Section C","1999","55","8","1205","1208","10.1107/S0108270199005764","","","0.71073","MoKα","","0.054","0.044","","","","0.077","","","","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008744","6.5034","0.0002","7.9206","0.0003","10.1816","0.0004","90","","100.911","0.002","90","","514.98","0.03","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cobalt nitropentaammiacate hexafluorosilicon","","","- Co F6 H15 N6 O2 Si -","- Co F6 H15 N6 O2 Si -","- Co2 F12 H30 N12 O4 Si2 -","2","0.5","AV1028","Naumov, Dmitry Yu.; Kashcheeva, Natalia E.; Boldyreva, Elena V.; Howard, Judith A. K.","Pentaamminenitrocobalt(III) hexafluorosilicate(IV) at 293 and 150K","Acta Crystallographica Section C","1999","55","8","1205","1208","10.1107/S0108270199005764","","","0.71073","MoKα","","0.035","0.031","","","","0.063","","","","","","1.135","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008769","9.0494","0.0012","17.475","0.002","10.5357","0.001","90","","106.359","0.008","90","","1598.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","[bis(cyclohexylamine)cadmium(II) bis{tricyanocadmate(II)}]-toluene (1/1)","","- C25 H34 Cd3 N8 -","- C25 H34 Cd3 N8 -","- C50 H68 Cd6 N16 -","2","0.5","DA1061","Kim, Chong-Hyeak; Lee, Sueg-Geun; Suh, Il-Hwan","A three-dimensional host framework with small tetragonal and large hexagonal channels","Acta Crystallographica Section C","1999","55","8","1238","1241","10.1107/S0108270199004825","","","0.71073","MoKα","","0.055","0.039","","0.105","0.097","","","","1.042","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009238","4.993","0.001","8.418","0.002","7.858","0.002","90","","96.41","0.03","90","","328.22","0.13","294","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","ammonium trivanadate(V)","","- H4 N O8 V3 -","- H4 N O8 V3 -","- H8 N2 O16 V6 -","2","0.5","DA1075","Bi-Zhou Lin; Shi-Xiong Liu","Ammonium trivanadate(V), NH~4~V~3~O~8~","Acta Crystallographica Section C","1999","55","12","1961","1963","10.1107/S0108270199007702","","","0.71069","MoKα","","0.043","0.036","","0.115","","0.102","","","1.151","","","1.173","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009731","4.038","0.001","12.84","0.003","9.355","0.002","90","","99.91","0.02","90","","477.8","0.19","293","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C22 H16 N8 -","2","0.5","SE1017","Tillmanns, E.; Schwabenländer, F.; Güssregen, S.; Hünig, S.; Metzenthin, T.","<i>N</i>,<i>N</i>'-Dicyano-4,7-indanquinone diimine","Acta Crystallographica Section C","1994","50","5","715","717","10.1107/S0108270193008066","","","0.7093","Mo","","","0.045","","","0.057","","","","","2.7","2.7","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2009928","5.8376","0.0009","6.4746","0.001","6.2534","0.001","90","","104.089","0.005","90","","229.24","0.06","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetamide hydrochloride","","- C2 H6 Cl N O -","- C2 H6 Cl N O -","- C4 H12 Cl2 N2 O2 -","2","0.5","AS1105","Liu, Ling-Kang; Luo, Fen-Tair; Hsieh, Li-Chen","Acetamide hydrochloride","Acta Crystallographica Section C","1994","50","8","1333","1335","10.1107/S0108270194001952","","","0.7093","MoKα","","0.031","0.03","","0.042","0.042","","","","","3.14","3.14","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2009941","9.179","0.002","16.978","0.004","17.263","0.003","90","","102.84","0.03","90","","2623","1","294","1","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H92 Ga2 P6 -","- C40 H92 Ga2 P6 -","- C80 H184 Ga4 P12 -","2","0.5","CR1073","Kirschbaum, K.; Giolando, D.M.","Co-crystallized bis(μ-<i>tert</i>-butylphosphido)bis(di-<i>tert</i>-butylgallium) and tetra-<i>tert</i>-butylcyclotetraphosphane","Acta Crystallographica Section C","1994","50","8","1244","1247","10.1107/S0108270193012053","","","0.71073","MoKα","","","0.041","","","0.051","","","","","1.59","1.59","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010300","8.7031","0.0008","7.3745","0.0003","9.1677","0.0004","90","","97.694","0.005","90","","583.1","0.06","295","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 N O2 -","- C13 H21 N O2 -","- C26 H42 N2 O4 -","2","0.5","HU1092","Garcia, J.G.; Enas, J.D.; Fronczek, F.R.","2,2-Dimethyl-5-(dimethylamino)indan-1,3-dione","Acta Crystallographica Section C","1994","50","12","2025","2027","10.1107/S0108270194005238","","","1.54184","CuKα","","","0.044","","","0.068","","","","","3.558","3.558","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010485","11.144","0.003","15.667","0.004","13.048","0.005","90","","96.32","0.03","90","","2264.2","1.2","140","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H24 Cl2 Ir6 O14 P2 -","- C40 Cl2 Ir6 O14 P2 -","- C80 Cl4 Ir12 O28 P4 -","2","0.5","","Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.","Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","","217","219","","","","","","","","0.0951","","","0.2013","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010492","3.873","0.002","13.687","0.002","7.013","0.003","90","","92.94","0.06","90","","371.3","0.3","293","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C12 H6 Cl4 N2 O4 -","2","0.5","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.046","","","0.059","","","","","2.024","2.024","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2010570","9.855","0.002","17.306","0.003","10.607","0.002","90","","114.29","0.01","90","","1648.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","none","2,11,13,21,29,31-hexamethyl-5,16,24-triaza-8,19,27-triazoniaheptacyclo- [10.10.6.1^1,3^.1^5,8^.1^10,14^.1^16,19^.1^24,27^]tritriaconta- 1,3(29),6,8(30),10,12,14(31),17,19(32),21,25,27(33)-dodecene tribromide dihydrate","","- C33 H43 Br3 N6 O2 -","- C33 H43 Br3 N6 O2 -","- C66 H86 Br6 N12 O4 -","2","0.5","QA0198","Yuan, Yi; Zhou, Haibing; Jiang, Zhonlin; Yan, Jiaming; Xie, Rugang","A new tribridged imidazolium cyclophane","Acta Crystallographica Section C","2000","56","1","e34","e35","10.1107/S0108270199016406","","","0.71073","MoKα","","0.06","0.034","","","","0.073","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010576","10.0345","0.0002","15.8632","0.0002","10.8058","0.0002","90","","94.14","","90","","1715.57","0.05","203","2","203","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Pentane-2,4-dithione[bis(diphenylphosphino)propane]nickel(II) hexafluorophosphate.","","- C32 H33 F6 Ni P3 S2 -","- C32 H33 F6 Ni P3 S2 -","- C64 H66 F12 Ni2 P6 S4 -","2","0.5","QB0153","Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.","[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)","Acta Crystallographica Section C","2000","56","1","e16","e18","10.1107/S0108270199016078","","","0.71073","MoKα","","0.0505","0.0346","","","","0.0952","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010582","6.292","0.001","7.735","0.001","6.745","0.003","90","","90.8","0.01","90","","328.24","0.16","157","","157","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","chlorotrimethylsilane","","- C3 H9 Cl Si -","- C3 H9 Cl Si -","- C6 H18 Cl2 Si2 -","2","0.5","SK1303","Buschmann, Jürgen; Lentz, Dieter; Luger, Peter; Röttger, Matthias","Chlorotrimethylsilane","Acta Crystallographica Section C","2000","56","1","121","122","10.1107/S0108270199012470","","","0.7107","MoKα","","0.066","0.037","","","","0.096","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010904","6.802","0.0011","6.066","0.002","7.804","0.0013","90","","112.61","0.011","90","","297.25","0.12","125","","125","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","picolinic acid N-oxide","2-carboxypyridine-N-oxide'","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","0.5","DE1129","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","5","577","579","10.1107/S0108270100001475","","","0.71073","MoKα","","0.0405","0.0344","","","","0.0955","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011236","7.679","0.004","7.004","0.005","10.372","0.005","90","","107.43","0.04","90","","532.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","O-Isopropyl N-(2-furoyl)thiocarbamate","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","0.5","NA1477","Morales, Angel Dago; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Hernández, Ramón Pomés","<i>O</i>-Isopropyl <i>N</i>-(2-furoyl)thiocarbamate","Acta Crystallographica Section C","2000","56","8","1042","1043","10.1107/S0108270100007514","","","0.71073","MoKα","","0.169","0.055","","","","0.134","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011298","4.9084","0.0002","13.6795","0.0007","9.0482","0.0004","90","","105.414","0.001","90","","585.68","0.05","299","2","299","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","strontium gallium borate hydroxide","","","- B4 Ga3 H O14 Sr3 -","- B4 Ga3 H O14 Sr3 -","- B8 Ga6 H2 O28 Sr6 -","2","0.5","BR1297","Barbier, Jacques; Park, Hyunsoo","A new orthoborate, Sr~3~Ga~3~(BO~3~)~4~O(OH)","Acta Crystallographica Section C","2000","56","9","1057","1058","10.1107/S0108270100009021","","","0.71073","MoKα","","0.0534","0.0348","","0.0804","","0.0735","","","1.055","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011512","6.947","0.002","6.469","0.003","7.478","0.003","90","","110.51","0.03","90","","314.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,3-Dihydro-3-methyl-2-nitriminothiazole","","- C4 H5 N3 O2 S -","- C4 H5 N3 O2 S -","- C8 H10 N6 O4 S2 -","2","0.5","GD1113","Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","2,3-Dihydro-3-methyl-2-nitrimino-1,3-thiazole","Acta Crystallographica Section C","2000","56","11","1401","1403","10.1107/S0108270100011604","","","0.71073","MoKα","","0.035","0.034","","","","0.097","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011548","6.1103","0.0002","20.699","0.001","11.7877","0.0005","90","","95.302","0.003","90","","1484.5","0.11","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(2-(4-pyridyl)-4,4,5,5- tetramethylimidazoline-1-oxyl)Zinc(II) dithiocyanate.","","- C26 H32 N8 O2 S2 Zn -","- C26 H32 N8 O2 S2 Zn -","- C52 H64 N16 O4 S4 Zn2 -","2","0.5","QA0408","Fettouhi, Mohammed","Dithiocyanatobis[4,4,5,5-tetramethyl-2-(4-pyridyl-κ<i>N</i>)-1<i>H</i>-imidazoline-1-oxyl]zinc(II)","Acta Crystallographica Section C","2000","56","11","e495","e496","10.1107/S010827010001341X","","","0.71073","MoKα","","0.075","0.043","","","","0.117","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012164","4.964","0.0015","6.346","0.002","7.336","0.002","90","","107.25","0.02","90","","220.7","0.12","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sodium 2-nitroethanaloximate","","- C2 H3 N2 Na O3 -","- C2 H3 N2 Na O3 -","- C4 H6 N4 Na2 O6 -","2","0.5","SK1484","Ferguson, George; Lough, Alan J.; Smith, David M.; Zakaria, Choudhury M.; Glidewell, Christopher","Sodium 2-nitroethanaloximate forms a layered-framework structure","Acta Crystallographica Section C","2001","57","8","922","923","10.1107/S0108270101008125","","","0.71073","MoKα","","0.0778","0.0591","","","","0.1615","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012362","7.5878","0.0007","4.1397","0.0004","6.0594","0.0006","90","","101.529","0.011","90","","186.49","0.03","293","","295","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bismuth cadmium oxide chloride","Bismuth cadmium dioxide chloride","","- Bi Cd Cl O2 -","- Bi Cd Cl O2 -","- Bi2 Cd2 Cl2 O4 -","2","0.5","BR1340","Kirik, Sergei D.; Yakovleva, Ekaterina G.; Shimanskii, Aleksandr F.; Kovalev, Yurii G.","CdBiO~2~Cl: synthesis and powder structure solution","Acta Crystallographica Section C","2001","57","12","1367","1368","10.1107/S0108270101014883","","","1.5418","CuKα","","","","","","","","","","1.43","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012391","7.861","0.0005","6.598","0.0004","14.4339","0.0009","90","","94.915","0.001","90","","745.89","0.08","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane 2,4-dinitrophenolate monohydrate","","- C12 H18 N6 O6 -","- C12 H18 N6 O6 -","- C24 H36 N12 O12 -","2","0.5","SK1495","Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate","Acta Crystallographica Section C","2001","57","12","1443","1446","10.1107/S0108270101016742","","","0.71073","MoKα","","0.0743","0.0589","","","0.1374","0.1437","","","","","","0.948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012583","6.8193","0.0014","6.7291","0.0013","9.0902","0.0018","90","","104.72","0.03","90","","403.44","0.15","203","2","203","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cyclohexylphosphonic acid","","- C6 H13 O3 P -","- C6 H13 O3 P -","- C12 H26 O6 P2 -","2","0.5","JZ1491","Merz, Klaus; Knüfer, Annegret","Cyclohexylphosphonic acid","Acta Crystallographica Section C","2002","58","3","o187","o188","10.1107/S0108270102001439","","","0.71073","MoKα","","0.04","0.037","","","0.1","0.103","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012631","3.513","0.002","11.802","0.002","9.191","0.001","90","","99.5","0.02","90","","375.8","0.2","296.2","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-poly[[(6-carboxypyridine-2-carboxylato-κ^3^O,N,O')lithium(I)]-μ- aqua-κ^2^O:O]","","- C7 H6 Li N O5 -","- C7 H6 Li N O5 -","- C14 H12 Li2 N2 O10 -","2","0.5","GG1090","Odoko, Mamiko; Kusano, Ai; Oya, Naomi; Okabe, Nobuo","A lithium complex of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2002","58","4","m215","m216","10.1107/S0108270102002718","","","0.71073","MoKα","","","0.068","","","","0.235","","","","","","1.153","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012642","7.632","0.004","10.341","0.005","6.289","0.005","90","","112.77","0.04","90","","457.7","0.5","203","2","203","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","tert-Butyltrichlorotin(IV)","tert-Butyltrichlorotin(IV)","","- C4 H9 Cl3 Sn -","- C4 H9 Cl3 Sn -","- C8 H18 Cl6 Sn2 -","2","0.5","LN1131","Reuter, Hans; Eickmeier, Henning; Puff, Heinrich; Beckermann, Norbert; Hänssgen, Dieter","Tin‒halide compounds. IV. <i>tert</i>-Butyltrichlorotin(IV)","Acta Crystallographica Section C","2002","58","4","m217","m218","10.1107/S0108270102001737","","","0.71073","MoKα","","0.036","0.036","","","0.101","0.101","","","","","","1.149","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012650","3.7663","0.0006","16.1667","0.0012","5.5705","0.0004","90","","93.156","0.007","90","","338.67","0.06","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Dipicolinic acid","2,6-pyridinedicarboxylic acid","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C14 H10 N2 O8 -","2","0.5","SK1531","Carranza Téllez, Vladimir; Sánchez Gaytán, Brenda; Bernès, Sylvain; González Vergara, Enrique","The supramolecular structure of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2002","58","4","o228","o230","10.1107/S0108270102002172","","","0.71073","MoKα","","0.043","0.04","","","0.118","0.121","","","","","","1.061","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012738","5.345","0.001","26.62","0.004","6.559","0.001","90","","107.28","0.01","90","","891.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Sodium hexamanganese bis(diphosphate) triphosphate","Sodium hexamanganese bis(diphosphate) triphosphate","","- Mn6 Na O24 P7 -","- Mn6 Na O24 P7 -","- Mn12 Na2 O48 P14 -","2","0.5","BR1364","Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M.","NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~)","Acta Crystallographica Section C","2002","58","6","i76","i78","10.1107/S0108270102006753","","","0.71073","MoKα","","0.09","0.05","","","0.076","0.088","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012739","5.479","0.001","27.112","0.006","6.769","0.001","90","","107.11","0.02","90","","961","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Potassium hexacadmium bis(diphosphate) triphosphate","Potassium hexacadmium bis(diphosphate) triphosphate","","- Cd6 K O24 P7 -","- Cd6 K O24 P7 -","- Cd12 K2 O48 P14 -","2","0.5","BR1364","Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M.","NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~)","Acta Crystallographica Section C","2002","58","6","i76","i78","10.1107/S0108270102006753","","","0.71073","MoKα","","0.048","0.04","","","0.117","0.124","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012901","4.8066","0.0003","9.5179","0.0006","6.1346","0.0004","90","","107.911","0.004","90","","267.05","0.03","292","2","292","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2-(hydroxymethyl)-1,2-propanediol","","- C4 H10 O3 -","- C4 H10 O3 -","- C8 H20 O6 -","2","0.5","SK1567","Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S.","Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide","Acta Crystallographica Section C","2002","58","8","o499","o502","10.1107/S0108270102011800","","","0.71073","MoKα","","0.0483","0.0361","","","0.0946","0.103","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013033","9.271","0.002","6.822","0.001","11.591","0.002","90","","96.24","0.03","90","","728.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","9,10-dimethylacridinium methyl sulfate","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C32 H34 N2 O8 S2 -","2","0.5","GG1138","Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy","10-Methyl- and 9,10-dimethylacridinium methyl sulfate","Acta Crystallographica Section C","2002","58","11","o669","o671","10.1107/S0108270102017171","","","1.54178","CuKα","","0.048","0.046","","","0.135","0.137","","","","","","1.128","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013483","7.4905","0.0006","16.116","0.0009","7.6404","0.0004","90","","107.553","0.005","90","","879.38","0.1","293","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(3,16-dioxo-1-thia-4,8,11,15-tetraazacycloheptadecanato)copper(II) trihydrate","","- C12 H28 Cu N4 O5 S -","- C12 H28 Cu N4 O5 S -","- C24 H56 Cu2 N8 O10 S2 -","2","0.5","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","1.54178","CuKα","","0.0502","0.047","","","0.1297","0.1328","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013722","6.6497","0.0004","19.1205","0.001","6.6971","0.0004","90","","116.865","0.002","90","","759.61","0.08","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","pentaaqua[benzene-1,2,4,5-tetracarboxylate(2-)]barium(II)","","- C10 H14 Ba O13 -","- C10 H14 Ba O13 -","- C20 H28 Ba2 O26 -","2","0.5","TR1069","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Group 2 metal salts of pyromellitic acid: [Mg(H~2~O)~6~](C~10~H~4~O~8~) and [Ba(C~10~H~4~O~8~)(H~2~O)~5~]","Acta Crystallographica Section C","2003","59","12","m505","m508","10.1107/S0108270103023175","","","0.71073","MoKα","","0.0164","0.015","","","0.0326","0.0331","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013729","5.041","0.001","6.547","0.001","7.247","0.001","90","","96.98","0.02","90","","237.4","0.07","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","5-Methylsulfanyl-1H-tetrazole (α-form)","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C4 H8 N8 S2 -","2","0.5","AV1152","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","1","o47","o49","10.1107/S0108270103022704","","","0.71073","MoKα","","0.0332","0.0293","","","0.0679","0.0693","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013980","4.6642","0.0012","7.831","0.002","20.607","0.005","90","","91.13","0.01","90","","752.5","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","p-decylphenyl isocyanide","","- C17 H25 N -","- C17 H25 N -","- C34 H50 N2 -","2","0.5","FR1469","Britton, Doyle; Sowa Jr, John R.; Mann, Kent R.","<i>p</i>-Decylphenyl isocyanide and <i>p</i>-decylbenzonitrile: isomorphous isonitrile/nitrile isomers","Acta Crystallographica Section C","2004","60","6","o418","o420","10.1107/S0108270104008388","","","0.71073","MoKα","","0.065","0.038","","","0.098","0.106","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013981","4.6526","0.0012","7.801","0.002","20.466","0.005","90","","90.5","0.01","90","","742.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","p-decylbenzonitrile","","- C17 H25 N -","- C17 H25 N -","- C34 H50 N2 -","2","0.5","FR1469","Britton, Doyle; Sowa Jr, John R.; Mann, Kent R.","<i>p</i>-Decylphenyl isocyanide and <i>p</i>-decylbenzonitrile: isomorphous isonitrile/nitrile isomers","Acta Crystallographica Section C","2004","60","6","o418","o420","10.1107/S0108270104008388","","","0.71073","MoKα","","0.128","0.046","","","0.093","0.107","","","","","","0.74","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014029","5.2254","0.0004","12.9371","0.0009","10.5425","0.0006","90","","94.247","0.003","90","","710.73","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly[[dichloro-zinc(II)]-μ-1,3-di-4-pyridylpropane-κ^2^N:N']","","- C13 H14 Cl2 N2 Zn -","- C13 H14 Cl2 N2 Zn -","- C26 H28 Cl4 N4 Zn2 -","2","0.5","NA1639","Chen, Yu-Biao; Kang, Yao; Qin, Ye-Yan; Li, Zhao-Ji; Cheng, Jian-Kai; Hu, Rui-Feng; Wen, Yi-Hang; Yao, Yuan-Gen","<i>catena</i>-Poly[[dichlorozinc(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","4","m168","m169","10.1107/S0108270104003592","","","0.71073","MoKα","","","0.0599","","","0.1376","0.1528","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014232","7.4467","0.0001","5.8383","0.0001","7.99","0.0001","90","","93.46","0.01","90","","346.741","0.009","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","diacetato-palladat(II)","catena-poly[palladium(II)-di-μ-acetato-κ^4^O:O']","","- C4 H6 O4 Pd -","- C4 H6 O4 Pd -","- C8 H12 O8 Pd2 -","2","0.5","SK1735","Kirik, Sergei D.; Mulagaleev Ruslan F.; Blokhin Alexander I.","[Pd(CH~3~COO)~2~]~<i>n~</i> from X-ray powder diffraction data","Acta Crystallographica Section C","2004","60","9","m449","m450","10.1107/S0108270104016129","","","1.5418","CuKα","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014774","6.2082","0.0001","7.2183","0.0001","11.2335","0.0003","90","","100.477","0.002","90","","495.01","0.017","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","MIL-12 (Ga)","Digallium phosphate pentafluoride propane-1,3-diaminium","","- C3 H12 F5 Ga2 N2 O4 P -","- C3 H12 F5 Ga2 N2 O4 P -","- C6 H24 F10 Ga4 N4 O8 P2 -","2","0.5","AV1243","Loiseau, Thierry; Ferey, Gerard","A layered fluorinated gallium phosphate organically templated by propane-1,3-diaminium, an analog of the aluminophosphate MIL-12: Ga~2~(PO~4~)F~5~·C~3~H~12~N~2~","Acta Crystallographica Section C","2005","61","6","m315","m317","10.1107/S0108270105014290","","","0.71073","MoKα","","0.0378","0.0279","","","0.0674","0.0722","","","","","","0.902","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014833","8.918","0.001","12.185","0.001","9.809","0.002","90","","106.28","0.01","90","","1023.2","0.3","295","","295","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(η^5^-Cyclopentadienyl)(N,N-dimethyldithiocarbamato-κ^2^S,S')(η^4^- tetrakis(trifluoromethyl)cyclobutadienyl)molybdenum(IV)","","- C16 H11 F12 Mo N S2 -","- C16 H11 F12 Mo N S2 -","- C32 H22 F24 Mo2 N2 S4 -","2","0.5","GD1377","Davidson, Jack L.; Jarvie, Alice; Muir, Kenneth W.","(η^5^-Cyclopentadienyl)(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[η^4^-tetrakis(trifluoromethyl)cyclobutadienyl]molybdenum(IV)","Acta Crystallographica Section C","2005","61","4","m209","m210","10.1107/S0108270105006086","","","0.71069","MoKα","","0.0289","0.0241","","","0.0655","0.0691","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015045","8.4715","0.0017","7.5679","0.0015","11.953","0.002","90","","92.56","0.03","90","","765.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(1,3-diaminopropane-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate","","- C8 H20 Cl Cu N7 O4 -","- C8 H20 Cl Cu N7 O4 -","- C16 H40 Cl2 Cu2 N14 O8 -","2","0.5","SK1838","Burčák, Milan; Potočňák, Ivan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. XII. Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')(dicyanamido-κ<i>N</i>)copper(II) perchlorate","Acta Crystallographica Section C","2005","61","7","m353","m355","10.1107/S0108270105016768","","","0.71073","MoKα","","0.0437","0.039","","","0.106","0.1092","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015316","8.2764","0.0002","19.7124","0.0006","8.7321","0.0003","90","","115.007","0.003","90","","1291.07","0.07","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Methoxycarbonyl)phenylboronic acid","","- C8 H9 B O4 -","- C8 H9 B O4 -","- C48 H54 B6 O24 -","6","1.5","JZ3006","Lulinski, Sergiusz; Serwatowski, Janusz","2-(Methoxycarbonyl)phenylboronic acid","Acta Crystallographica Section C","2006","62","5","o301","o303","10.1107/S0108270106012297","","","0.71073","MoKα","","0.0378","0.0325","","","0.0923","0.0941","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015365","9.7917","0.001","7.9649","0.0008","15.0594","0.0016","90","","107.985","0.003","90","","1117.1","0.2","173","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[bis(tert-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","","- C8 H28 I4 N2 O2 Pb -","- C8 H28 I4 N2 O2 Pb -","- C16 H56 I8 N4 O4 Pb2 -","2","0.5","GD3019","Billing, David G.; Lemmerer, A.","<i>catena</i>-Poly[bis(<i>tert</i>-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","Acta Crystallographica Section C","2006","62","6","m264","m266","10.1107/S0108270106016167","","","0.71073","MoKα","","","0.0392","","","","0.1007","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015556","4.9345","0.0003","22.9848","0.0013","8.3987","0.0005","90","","104.623","0.001","90","","921.71","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate","","- C3 H16 N2 O14 Se4 Zn3 -","- C3 H16 N2 O14 Se4 Zn3 -","- C6 H32 N4 O28 Se8 Zn6 -","2","0.5","GD3033","Ritchie, Lyndsey K.; Harrison, William T. A.","Poly[propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate]","Acta Crystallographica Section C","2006","62","9","m413","m415","10.1107/S010827010602508X","","","0.71073","MoKα","","0.0516","0.0325","","","0.0606","0.0644","","","","","","0.928","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015623","9.3387","0.0011","7.1393","0.0008","9.4837","0.001","90","","118.495","0.005","90","","555.7","0.11","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(methylaminedihydroborane) triiodide","","- C2 H12 B I3 N2 -","- C2 H12 B I3 N2 -","- C4 H24 B2 I6 N4 -","2","0.5","SQ3034","Gainsford, Graeme J.; Kemmitt, Tim","Dihydrobis(methylamine)borate triiodide","Acta Crystallographica Section C","2006","62","10","o602","o604","10.1107/S010827010603335X","","","0.71073","MoKα","","0.0461","0.0353","","","0.0885","0.1002","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015696","5.399","0.001","12.179","0.002","6.852","0.001","90","","106.37","0.03","90","","432.28","0.14","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","barium yttrium silicate","barium diyttrium triscilicate","","- Ba O10 Si3 Y2 -","- Ba O10 Si3 Y2 -","- Ba2 O20 Si6 Y4 -","2","0.5","IZ3015","Kolitsch, Uwe; Wierzbicka, Maria; Tillmanns, Ekkehart","BaY~2~Si~3~O~10~: a new flux-grown trisilicate","Acta Crystallographica Section C","2006","62","12","i97","i99","10.1107/S010827010604203X","","","0.71073","MoKα","","0.017","0.0159","","","0.0399","0.0403","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015810","9.688","0.002","7.7579","0.0017","10.219","0.004","90","","102.684","0.019","90","","749.3","0.4","122","1","122","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Vanadyltriflate","Pentaaquaoxovanadium(IV) trifluoromethanesulfonate","","- C2 H10 F6 O12 S2 V -","- C2 H10 F6 O12 S2 V -","- C4 H20 F12 O24 S4 V2 -","2","0.5","IZ3014","Magnussen, Magnus; Brock-Nannestad, Theis; Bendix, Jesper","Pentaaquaoxovanadium(IV) bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2007","63","2","m51","m53","10.1107/S010827010605219X","","","0.71073","MoKα","","0.0434","0.0379","","","0.0986","0.1039","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016902","7.905","0.003","8.796","0.003","6.167","0.002","90","","93.91","0.03","90","","427.8","0.3","296","","296","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Quinuclidine-trifluoromonoborane","","- C7 H13 B F3 N -","- C7 H13 B F3 N -","- C14 H26 B2 F6 N2 -","2","0.5","AL1050","Banks, R. E.; Besheesh, M. K.; Pritchard, R. G.; Sharif, I.","Quinuclidine-trifluoromonoborane: a (1/1) Lewis base-Lewis acid complex","Acta Crystallographica Section C","1993","49","10","1804","1806","10.1107/S0108270193003658","","","0.71069","MoKα","","","0.0473","","","0.0322","","","","","2.789","2.789","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017037","5.3095","0.0013","22.941","0.006","5.7023","0.0014","90","","107.93","0.003","90","","660.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,2'-biimidazol-1-ium 2,2'-iminiodiacetate chloride","","- C10 H14 Cl N5 O4 -","- C10 H14 Cl N5 O4 -","- C20 H28 Cl2 N10 O8 -","2","0.5","FG3076","Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li","The crucial role of C—H···O and C=O···π interactions in the building of three-dimensional structures of dicarboxylic acid‒biimidazole compounds","Acta Crystallographica Section C","2009","65","4","o123","o127","10.1107/S0108270109005836","","","0.71073","MoKα","","0.0698","0.0639","","","0.1739","0.1803","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017325","9.9652","0.0008","4.1789","0.0003","12.9834","0.001","90","","95.326","0.002","90","","538.34","0.07","90","2","90","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","BaIn2P2","barium indium phosphide","","- Ba In2 P2 -","- Ba In2 P2 -","- Ba4 In8 P8 -","4","1","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0493","0.0383","","","0.0887","0.0931","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017446","9.7347","0.0001","19.2639","0.0003","9.7987","0.0001","90","","118.93","0.0008","90","","1608.22","0.04","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","chromium thallium pentadecamolybdenum nonadecaselenide","","- Cr1.453 Mo15 Se19 Tl1.87 -","- Cr1.453 Mo15 Se19 Tl1.87 -","- Cr2.906 Mo30 Se38 Tl3.74 -","2","0.5","LG3024","Gougeon, P.; Salloum, D.; Potel, M.","Cr~1.45~Tl~1.87~Mo~15~Se~19~, a monoclinic variant of the hexagonal In~3~Mo~15~Se~19~ type","Acta Crystallographica Section C","2009","65","12","i87","i90","10.1107/S0108270109047301","","","0.71069","MoKα","","0.0925","0.0489","","","0.0785","0.0865","","","","","","1.49","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017562","6.675","0.002","23.025","0.005","7.5","0.002","90","","110.946","0.011","90","","1076.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","dipyridinium dioxidobis(oxydiacetato)uranate(VI)","","- C18 H20 N2 O12 U -","- C18 H20 N2 O12 U -","- C36 H40 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0176","0.0156","","","0.0371","0.0377","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018401","9.1917","0.0017","6.9457","0.0011","11.8265","0.0013","90","","105.538","0.007","90","","727.4","0.2","165","2","165","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","2-ammonio-5-chloro-4-methylbenzenesulfonate 1-methyl-2-pyrrolidone monosolvate","","- C12 H17 Cl N2 O4 S -","- C12 H17 Cl N2 O4 S -","- C24 H34 Cl2 N4 O8 S2 -","2","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0486","0.0367","","","0.0927","0.1005","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018405","27.065","0.004","3.8825","0.0003","15.683","0.002","90","","103.59","0.01","90","","1601.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","pentalead octaindium dibismuth icosasulfide","","- Bi1.62 In8.38 Pb5 S20 -","- Bi1.622 In8.378 Pb5 S20 -","- Bi3.244 In16.756 Pb10 S40 -","2","0.5","BI3029","Reis, I.; Krämer, V.; Seiler, A.; Topa, D.; Keller, E.","Pb~5.0(1)~In~8.4(1)~Bi~1.6(1)~S~20~, a new quaternary lead indium bismuth sulfide","Acta Crystallographica Section C","2012","68","3","i12","i16","10.1107/S0108270112001011","","","0.71073","MoKα","","0.0407","0.0337","","","0.0849","0.0881","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018419","12.061","0.003","18.151","0.005","12.129","0.003","90","","93.403","0.005","90","","2650.6","1.2","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","dodecaaquadi-μ~3~-hydroxido-deca-μ~2~-hydroxido- octacosaoxidotetracobalt(II)dodecamolybdenum(V) dodecahydrate","","- Co4 H60 Mo12 O64 -","- Co4 Mo12 O64 -","- Co8 Mo24 O128 -","2","0.5","LG3073","Ellern, Arkady; Kögerler, Paul","[Co^II^~4~Mo^V^~12~O~28~(OH)~12~(H~2~O)~12~]·12H~2~O: facilitating single-crystal growth by deuteration","Acta Crystallographica Section C","2012","68","3","i17","i19","10.1107/S0108270112006014","","","0.71073","MoKα","","0.0644","0.047","","","0.1052","0.1125","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018522","23.03","0.003","3.985","0.001","17.275","0.005","90","","111.33","0.01","90","","1476.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Bismuth Indium Lead Sulfide","pentalead triindium pentabismuth heptadecasulfide","","- Bi5.02 In3.05 Pb4.93 S17 -","- Bi5.019 In3.046 Pb4.935 S17 -","- Bi10.038 In6.092 Pb9.87 S34 -","2","0.5","BI3039","Winkler, H. P.; Topa, D.; Keller, E.","Pb~5~In~3~Bi~5~S~17~ [Pb~4.94(3)~In~3.05(3)~Bi~4.99(3)~S~17~] and its structural relationship with Pb~4~In~3~Bi~7~S~18~","Acta Crystallographica Section C","2012","68","7","i45","i49","10.1107/S0108270112021865","","","0.71073","MoKα","","0.0453","0.0357","","","0.0789","0.0828","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018863","5.34","","11.997","","10.16","","90","","99.51","","90","","641.945","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(S5 N5) (Au Cl4)","","- Au Cl4 N5 S5 -","- Au Cl4 N5 S5 -","- Au2 Cl8 N10 S10 -","2","0.5","","Dehnicke, K.; Ruangsuttinarupap, S.; Willing, W.; Mueller, U.","Cyclopentaazathienium-tetrachloroaurat","Acta Crystallographica C (39,1983-)","1986","42","","1263","1264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019155","8.1068","0.0004","15.1155","0.0008","9.1676","0.0005","90","","100.034","0.001","90","","1106.2","0.1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","[HB(3,5-(CF3)2Pz)3]Tl","{Tris[3,5-bis(trifluoromethyl)-1<i>H</i>pyrazol-1-yl-κ<i>N</i>^2^]borato}thallium(I)","","- C15 H4 B F18 N6 Tl -","- C15 H4 B F18 N6 Tl -","- C30 H8 B2 F36 N12 Tl2 -","2","0.5","YP3035","Dias, H. V. Rasika; Thankamani, Jose","Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H~2~B{3,5-(CF~3~)~2~pz}~2~]Tl and [HB{3,5-(CF~3~)~2~pz}~3~]Tl","Acta Crystallographica Section C","2013","69","9","959","962","10.1107/S0108270113016612","","","0.71073","MoKα","","0.0269","0.0263","","","0.0679","0.0684","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019307","6.7279","0.0003","9.7888","0.0004","5.4611","0.0002","90","","95.149","0.002","90","","358.21","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","<i>fac</i>-Triamminetrichloridorhodium(III)","","- Cl3 H9 N3 Rh -","- Cl3 H9 N3 Rh -","- Cl6 H18 N6 Rh2 -","2","0.5","LG3133","Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.","Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry","Acta Crystallographica Section C","2013","69","12","1462","1466","10.1107/S010827011303076X","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.961","","","2.961","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019374","13.225","0.003","6.4726","0.0008","13.867","0.003","90","","97.17","0.015","90","","1177.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","5-Methoxy-2-thiouracil‒dimethylacetamide (1/1)","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.1152","0.0766","","","0.1736","0.1901","","","","","","1.115","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019528","7.0869","0.0002","6.9749","0.0002","9.8196","0.0003","90","","91.393","0.001","90","","485.24","0.02","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Dihydronium sodium trialuminum(III) dodecafluoride","Dihydronium sodium tris(tetrafluoroaluminate)","","- Al3 F12 H6 Na O2 -","- Al3 F12 H6 Na O2 -","- Al6 F24 H12 Na2 O4 -","2","0.5","EG3155","Jouffret, Laurent; Lhoste, Jerome; Hemon-Ribaud, Annie; Leblanc, Marc; Maisonneuve, Vincent","(H~3~O)~2~NaAl~3~F~12~, isostructural with <i>A</i>~2~NaAl~3~F~12~ (<i>A</i> = K^+^, Rb^+^, Cs^+^) fluorides having HTB-type sheets","Acta Crystallographica Section C","2014","70","5","512","516","10.1107/S205322961400919X","","","0.71073","MoKα","","0.0284","0.0281","","","0.0831","0.0835","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019697","13.535","0.005","18.982","0.005","19.08","0.005","90","","90.06","0.005","90","","4902","3","123","2","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tricaesium sodium nonagermanide‒ammonia (1/5.3)","","- Cs3.2 Ge9 H15.89 N5.3 Na0.8 -","- Cs3.205 Ge9 N5.295 Na0.795 -","- Cs25.64 Ge72 N42.36 Na6.36 -","8","2","FN3177","Gärtner, Stefanie; Suchentrunk, Christof; Korber, Nikolaus","Coordination preferences of the alkali cations sodium and caesium in the mixed-cationic Zintl ammoniate Cs~3.2~Na~0.8~Ge~9~·5.3NH~3~","Acta Crystallographica Section C","2014","70","11","1036","1039","10.1107/S2053229614021998","","","0.71073","MoKα","","0.0405","0.0365","","","0.0896","0.0914","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019880","8.268","0.0008","6.6","0.0004","25.043","0.002","90","","98.887","0.007","90","","1350.16","0.19","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,4,6-Triaminopyrimidinium 6-methyl-2-thiouracilate‒6-methyl-2-thiouracil‒dimethylformamide (1/1/1)","","- C20 H33 N11 O4 S2 -","- C20 H33 N11 O4 S2 -","- C40 H66 N22 O8 S4 -","2","0.5","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0413","0.0367","","","0.0994","0.1019","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019932","6.369","0.005","3.625","0.002","7.196","0.006","90","","110.37","0.04","90","","155.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F4 Na2 O4 V2 -","2","0.5","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0286","0.0281","","","0.0778","0.0782","","","","","","1.089","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2020219","6.7104","","6.3437","","6.9864","","90","","109.892","","90","","279.658","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Mo O2 D P O4 D2 O","","- D3 Mo O7 P -","- D3 Mo O7 P -","- D6 Mo2 O14 P2 -","2","0.5","","Weller, M.T.; Bell, R.G.","The structure of Mo O2 D P O4 D2 O by powder neutron diffraction","Acta Crystallographica C (39,1983-)","1988","44","","1516","1518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020236","4.462","","4.0451","","8.242","","90","","102.23","","90","","145.386","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Nd Ru Si2 -","- Nd Ru Si2 -","- Nd2 Ru2 Si4 -","2","0.5","","Cenzual, K.; Gladyshevskii, R.E.; Parthe, E.","Monoclinic NdRuSi2, a distortion derivative of orthorhombic CeNiSi2","Acta Crystallographica C (39,1983-)","1992","48","","225","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020355","7.827","","8.397","","11.05","","90","","110.76","","90","","679.09","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs2 (Cd I4)","","- Cd Cs2 I4 -","- Cd Cs2 I4 -","- Cd2 Cs4 I8 -","2","0.5","","Sjoevall, R.","Structure of dicesium tetraiodocadmiate(II)","Acta Crystallographica C (39,1983-)","1989","45","","667","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020753","7.097","0.001","3.942","0.001","4.851","0.001","90","","117.63","0.01","90","","120.24","0.04","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- F3 H Sr -","- F3 Sr -","- F6 Sr2 -","2","0.5","","Massa, Werner; Herdtweck, Eberhardt","Erdalkakihydrogenfluoride SrF(HF~2~) und BaF(HF~2~)","Acta Crystallographica, Section C: Crystal Structure Communications","1983","39","5","509","512","10.1107/s0108270183005314","","x-ray","0.71069","MoKα","","","0.036","","","0.029","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2020754","7.3","0.001","4.312","0.001","4.99","0.001","90","","115.52","0.01","90","","141.75","0.05","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba F3 H -","- Ba F3 -","- Ba2 F6 -","2","0.5","","Massa, Werner; Herdtweck, Eberhardt","Erdalkakihydrogenfluoride SrF(HF~2~) und BaF(HF~2~)","Acta Crystallographica, Section C: Crystal Structure Communications","1983","39","5","509","512","10.1107/s0108270183005314","","x-ray","0.71069","MoKα","","","0.019","","","0.016","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2021226","6.934","0.0009","15.213","0.002","9.6882","0.0013","90","","105.496","0.005","90","","984.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[diaquacadmium(II)]-μ~3~-2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylato)]","","- C8 H7 Cd N2 O6 -","- C8 H7 Cd N2 O6 -","- C32 H28 Cd4 N8 O24 -","4","1","OV3115","Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Zhang, Jun-Di; Yang, Huai-Xia","A new one-dimensional Cd^II^ coordination polymer incorporating 2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylate)","Acta Crystallographica Section C","2018","74","10","1128","1132","10.1107/S2053229618012603","","","0.71073","MoKα","","0.0306","0.0272","","","0.0786","0.0804","","","","","","1.092","","","","has coordinates,has Fobs","211783","2020-10-21","18:00:00",""
"2022093","6.9939","0.0005","13.64","0.001","11.2299","0.0008","90","","94.26","0.001","90","","1068.34","0.13","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C40 H26 F8 I4 N6 -","2","0.5","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0187","0.0178","","","0.0428","0.0433","","","","","","1.064","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022133","7.9253","0.0016","5.9962","0.0014","8.433","0.002","90","","113.551","0.018","90","","367.37","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride","","- C6 H10 F2 N2 O -","- C6 H10 F2 N2 O -","- C12 H20 F4 N4 O2 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0371","0.0352","","","0.0949","0.0964","","","","","","1.053","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022137","6.3876","0.0011","8.8268","0.0013","10.5","0.002","90","","99.355","0.015","90","","584.14","0.17","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4,6-Dimethyl-2-pyrimidothionium bifluoride‒thiourea (1/1)","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium bifluoride‒thiourea (1/1)","","- C7 H14 F2 N4 S2 -","- C7 H14 F2 N4 S2 -","- C14 H28 F4 N8 S4 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0749","0.0707","","","0.2168","0.2199","","","","","","1.18","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022348","5.1859","0.0001","11.8497","0.0001","9.6461","0.0001","90","","96.153","0.001","90","","589.351","0.014","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1<i>H</i>-1,2,4-Triazolium perchlorate","","- C2 H4 Cl N3 O4 -","- C2 H4 Cl N3 O4 -","- C8 H16 Cl4 N12 O16 -","4","1","WP3012","Kumasaki, Mieko; Gontani, Saori; Mori, Kanae; Matsumoto, Shinya; Inoue, Kazuki","Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate","Acta Crystallographica Section C","2021","77","5","197","201","10.1107/S2053229621003260","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.0925","0.0942","","","","","","1.116","","","","has coordinates,has Fobs","266206","2021-06-06","16:15:38",""
"2022366","8.2992","0.0006","21.6504","0.0018","9.9175","0.0007","90","","112.451","0.004","90","","1646.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","[1,1'-Bis(dicyclohexylphosphanyl)ferrocene-\ κ^2^<i>P</i>,<i>P</i>'][chlorido/cyanido(0.25/1.75)]zinc(II)","","- C35.75 H52 Cl0.25 Fe N1.75 P2 Zn -","- C35.718 H52 Cl0.282 Fe N1.718 P2 Zn -","- C71.436 H104 Cl0.564 Fe2 N3.436 P4 Zn2 -","2","0.5","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.0591","0.0397","","","0.0852","0.0926","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","266202","2021-06-06","16:15:10",""
"2022675","4.181","0.0005","15.0336","0.0017","6.797","0.0008","90","","96.506","0.002","90","","424.48","0.09","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Diiodo-5-nitrobenzene","","- C6 H3 I2 N O2 -","- C6 H3 I2 N O2 -","- C12 H6 I4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0196","0.0191","","","0.0402","0.0404","","","","","","1.345","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2022676","3.9721","0.0007","14.164","0.002","6.7971","0.0011","90","","96.486","0.002","90","","379.96","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Dibromo-5-nitrobenzene","","- C6 H3 Br2 N O2 -","- C6 H3 Br2 N O2 -","- C12 H6 Br4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0355","0.0291","","","0.078","0.0812","","","","","","1.085","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2022677","3.8115","0.0003","13.6452","0.0011","6.8976","0.0005","90","","94.632","0.001","90","","357.56","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Dichloro-5-nitrobenzene","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C12 H6 Cl4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0303","0.0275","","","0.0691","0.0705","","","","","","1.117","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2023047","8.7649","0.0014","6.8899","0.0011","10.6868","0.0018","90","","104.676","0.004","90","","624.31","0.18","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(6-Acetyl-1-nitronaphthalen-2-yl)acetamide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","ZN2035","Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu","Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(6-acetyl-1-nitro-naphthalen-2-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","347","350","10.1107/S2056989024001609","","","0.71073","MoKα","","0.0479","0.043","","","0.1188","0.1237","","","","","","1.073","","","","has coordinates","291728","2024-05-06","04:21:49",""
"2100393","6.56","0.001","23.057","0.005","6.978","0.001","90","","90.08","0.03","90","","1055.4","0.3","293","2","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RUB-30 as-synthesized","","","- H8.6 K2.6 Li9.4 O42.3 Si16 -","- K4.174 Li10.28 O39.84 Si16 -","- K4.174 Li10.28 O39.84 Si16 -","1","0.25","SN5028","Park, So-Hyun; Boysen, Hans; Parise, John B.","Structural disorder of a new zeolite-like lithosilicate, K~2.6~Li~5.4~[Li~4~Si~16~O~38~]·4.3H~2~O","Acta Crystallographica Section B","2006","62","1","42","51","10.1107/S0108768105038784","","","0.643","synchrotronX-ray(X3a1,NSLSatBNL)","","0.0965","0.092","","","0.2473","0.2544","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100795","6.162","0.003","11.096","0.002","6.826","0.002","90","","101.64","0.03","90","","457.1","0.3","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- C9 H6 Mo O3 -","- C9 H6 Mo O3 -","- C18 H12 Mo2 O6 -","2","0.5","GE0298","Bürgi, H.-B.; Raselli, A.; Braga, D.; Grepioni, F.","Structure of (η^6^-C~6~H~6~)Mo(CO)~3~ at room temperature and 120 K: motion about equilibrium and far from equilibrium","Acta Crystallographica Section B","1992","48","4","428","437","10.1107/S0108768191014404","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100796","6.028","0.001","11.001","0.002","6.763","0.001","90","","100.79","0.01","90","","440.55","0.13","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- C9 H6 Mo O3 -","- C9 H6 Mo O3 -","- C18 H12 Mo2 O6 -","2","0.5","GE0298","Bürgi, H.-B.; Raselli, A.; Braga, D.; Grepioni, F.","Structure of (η^6^-C~6~H~6~)Mo(CO)~3~ at room temperature and 120 K: motion about equilibrium and far from equilibrium","Acta Crystallographica Section B","1992","48","4","428","437","10.1107/S0108768191014404","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100811","10.7906","0.0011","6.3264","0.0003","8.367","0.002","90","","112.22","0.03","90","","528.76","0.18","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cs3 D O8 Se2 -","- Cs3 D O8 Se2 -","- Cs6 D2 O16 Se4 -","2","0.5","AB0279","Ichikawa, M.; Gustafsson, T.; Olovsson, I.","Structural study of the low-temperature phase transition in Cs~3~D(SeO~4~)~2~","Acta Crystallographica Section B","1992","48","5","633","639","10.1107/S0108768192004154","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2100944","8.544","0.001","10.973","0.001","7.972","0.001","90","","109.39","0.01","90","","705.01","0.14","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","1","0.25","AS0410","Toriumi, K.; Yamashita, M.; Kurita, S.; Murase, I.; Ito, T.","Phase transitions of the halogen-bridged <i>M</i>^II^‒<i>X</i>‒<i>M</i>^IV^ mixed-valence complexes [<i>M</i>(en)~2~][<i>M</i>X~2~(en)~2~](ClO~4~)~4~ (<i>M</i> = Pt,Pd; <i>X</i> = Cl, Br). Structural studies of the high- and low-temperature phases of [Pt(en)~2~][PtBr~2~(en)~2~](ClO~4~)~4~","Acta Crystallographica Section B","1993","49","3","497","506","10.1107/S0108768192009480","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","205956","2020-10-21","18:00:00",""
"2101200","11.532","0.001","6.075","0.001","16.678","0.001","90","","99.04","0.01","90","","1153.9","0.2","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Li4 O4 Si -","- Li4 O4 Si -","- Li56 O56 Si14 -","14","3.5","NA0052","de Jong, B. H. W. S.; Ellerbroek, D.; Spek, A. L.","Low-temperature structure of lithium nesosilicate, Li~4~SiO~4~, and its Li~1<i>s~</i> and O~1<i>s~</i> X-ray photoelectron spectrum","Acta Crystallographica Section B","1994","50","5","511","518","10.1107/S0108768194002375","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","205956","2020-10-21","18:00:00",""
"2101233","13.82","0.02","6.419","0.003","5.29","0.03","90","","101.04","0.02","90","","461","3","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","aurichalcite","- C2 H6 Cu O12 Zn3 -","- C2 Cu5 O12 -","- C4 Cu10 O24 -","2","0.5","MU0314","Harding, M. M.; Kariuki, B. M.; Cernik, R.; Cressey, G.","The structure of aurichalcite, (Cu,Zn)~5~(OH)~6~(CO~3~)~2~, determined from a microcrystal","Acta Crystallographica Section B","1994","50","6","673","676","10.1107/S0108768194007470","","","0.886","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188413","2020-10-21","18:00:00",""
"2101541","10.891","0.002","6.657","0.002","21.212","0.003","90","","101.64","0.02","90","","1506.3","0.6","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H17 K N O6.5 S2 -","- C10 H17 K N O6.5 S2 -","- C40 H68 K4 N4 O26 S8 -","4","1","SE0184","Nagel, N.; Eller, P.; Bock, H.","Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents?","Acta Crystallographica Section B","1996","52","3","562","568","10.1107/S0108768195014170","","","0.71073","MoKα","","0.0449","0.0329","","0.1057","0.0931","","","","1.047","1.109","1.109","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101951","7.72","0.002","21.235","0.005","8.248","0.002","90","","91.12","0.02","90","","1351.9","0.6","93","2","93","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tetrakis(trichlorophosphazeno)phosphonium hexachlorophosphate","","- Cl18 N4 P6 -","- Cl18 N4 P6 -","- Cl36 N8 P12 -","2","0.5","SE0209","Belaj, F.","Structure and Motion of Tetrakis(trichlorophosphazeno)phosphonium Hexachlorophosphate, [P(NPCl~3~)~4~]^+^PCl~6~^{-^}, at 93 K","Acta Crystallographica Section B","1997","53","6","923","927","10.1107/S0108768197005429","","","0.71069","MoKα","","0.0797","0.0497","","0.1274","0.1091","","","","1.007","1.058","1.058","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102099","10.0507","0.0005","14.2016","0.0008","8.7281","0.0008","90","","125.123","0.005","90","","1018.97","0.14","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Al1.5 H9.4 N1.19 Na0.13 O10.32 Si2.5 -","- H3.808 N0.952 Na0.104 O8.256 Si3.2 -","- H19.04 N4.76 Na0.52 O41.28 Si16 -","5","1.25","NA0099","Gualtieri, A. F.","Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy","Acta Crystallographica Section B","2000","56","4","584","593","10.1107/S0108768100002032","","","1.00473","x-raysynchrotron","","","","","","","","","","6.14","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102100","10.0122","0.0008","14.1943","0.0012","8.7284","0.0017","90","","125.024","0.011","90","","1015.8","0.3","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Al1.2 H8.8 N Na0.1 O10.4 Si3 -","- H4.04 N1.01 Na0.1 O10.37 Si4 -","- H16.16 N4.04 Na0.4 O41.48 Si16 -","4","1","NA0099","Gualtieri, A. F.","Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy","Acta Crystallographica Section B","2000","56","4","584","593","10.1107/S0108768100002032","","","1.00473","x-raysynchrotron","","","","","","","","","","11.34","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102101","9.9596","0.0003","14.2015","0.0004","8.7051","0.0005","90","","124.99","0.003","90","","1008.71","0.08","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Al0.96 H8 N0.85 Na0.1 O10.3 Si3 -","- H4.53333 N1.13333 Na0.133333 O14.12 Si5.33333 -","- H13.6 N3.4 Na0.4 O42.36 Si16 -","3","0.75","NA0099","Gualtieri, A. F.","Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy","Acta Crystallographica Section B","2000","56","4","584","593","10.1107/S0108768100002032","","","1.00473","x-raysynchrotron","","","","","","","","","","2.68","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102172","8.8636","0.0015","6.605","0.003","9.2381","0.0017","90","","97.804","0.014","90","","535.8","0.3","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C24 H30 N2 O4 -","2","0.5","BM0031","Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.","Comparison of the structural motifs of acetoacetanilides and related azo pigments","Acta Crystallographica Section B","2000","56","6","1046","1053","10.1107/S0108768100010946","","","0.71069","MoKα","","0.0467","0.0333","","","0.0915","0.0985","","","","","","1.066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2102501","7.0281","0.001","6.9388","0.0009","11.5612","0.0015","90","","106.735","0.012","90","","539.92","0.13","295","1","295","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C20 H16 Br2 N6 O4 -","2","0.5","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0343","0.0291","","","0.0718","0.0745","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102502","7.018","0.0014","6.916","0.0012","11.546","0.002","90","","106.41","0.015","90","","537.57","0.17","250","1","250","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C20 H16 Br2 N6 O4 -","2","0.5","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0576","0.0422","","","0.0917","0.0996","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102528","5.628","0.001","7.207","0.002","13.126","0.002","90","","100.12","0.06","90","","524.1","0.2","0","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(4'-Cyanphenylthio)-5-methylthiadiazole","","- C10 H7 N3 S2 -","- C10 H7 N3 S2 -","- C20 H14 N6 S4 -","2","0.5","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","201972","2020-10-21","18:00:00",""
"2102530","7.11","0.004","6.993","0.004","7.678","0.004","90","","117.04","0.04","90","","340","0.3","0","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dihydro-1H-pyrrolizine-3,5(2H,6H)-dione","","- C7 H9 N O2 -","- C7 N O2 -","- C14 N2 O4 -","2","0.5","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","176768","2020-10-21","18:00:00",""
"2102582","7.114","0.0002","3.57177","0.0001","6.2846","0.00017","90","","90.069","0.003","90","","159.689","0.008","293","","295","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","vanadium pentoxide","divanadium pentoxide","","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","SN0038","Filonenko, V. P.; Sundberg, M.; Werner, P.-E.; Zibrov, I. P.","Structure of a high-pressure phase of vanadium pentoxide, β-V~2~O~5~","Acta Crystallographica Section B","2004","60","4","375","381","10.1107/S0108768104012881","","neutron","1.47","neutron","","","","","","","","","","1.07","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102739","12.09","0.002","8.4901","0.0009","4.8626","0.0008","90","","96.13","0.02","90","","496.27","0.13","90","2","90","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0319","","","","0.0578","","","","","","1.015","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102740","12.0881","0.0009","8.4914","0.0005","4.8644","0.0004","90","","96.137","0.009","90","","496.44","0.06","130","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.031","","","","0.0547","","","","","","1.002","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102741","12.0087","0.0009","8.4931","0.0005","4.8657","0.0004","90","","96.139","0.009","90","","493.41","0.06","170","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0306","","","","0.0623","","","","","","0.975","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102742","12.0859","0.0009","8.4947","0.0005","4.8667","0.0004","90","","96.143","0.009","90","","496.78","0.06","200","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0305","","","","0.0551","","","","","","0.969","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102743","12.0858","0.0009","8.4979","0.0005","4.8691","0.0004","90","","96.161","0.009","90","","497.19","0.06","250","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0326","","","","0.0594","","","","","","0.997","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102744","12.0861","0.0012","8.5008","0.0008","4.8704","0.0005","90","","96.167","0.009","90","","497.5","0.09","290","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0257","","","","0.054","","","","","","1.023","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102745","12.088","0.002","8.5019","0.0009","4.8703","0.0008","90","","96.17","0.02","90","","497.63","0.13","298","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0206","","","","0.0484","","","","","","1.016","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102746","12.0876","0.0008","8.5043","0.0007","4.8715","0.0005","90","","96.19","0.02","90","","497.85","0.08","320","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0249","","","","0.0508","","","","","","1.005","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102747","12.0883","0.0008","8.5076","0.0007","4.8727","0.0005","90","","96.18","0.02","90","","498.21","0.08","362","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0269","","","","0.0533","","","","","","0.974","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102748","12.0943","0.0008","8.5142","0.0007","4.8763","0.0005","90","","96.21","0.02","90","","499.18","0.08","445","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0275","","","","0.062","","","","","","0.974","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102749","12.0971","0.0008","8.5205","0.0007","4.8803","0.0005","90","","96.22","0.02","90","","500.07","0.08","528","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0255","","","","0.0544","","","","","","0.975","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102750","12.1011","0.0008","8.529","0.0007","4.8841","0.0005","90","","96.24","0.02","90","","501.1","0.08","611","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0284","","","","0.0621","","","","","","0.994","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102751","12.1039","0.0008","8.5353","0.0007","4.8886","0.0005","90","","96.28","0.02","90","","502.01","0.08","695","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0285","","","","0.0608","","","","","","1.014","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102752","12.1073","0.0008","8.538","0.0007","4.8899","0.0005","90","","96.28","0.02","90","","502.45","0.08","736","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0265","","","","0.0536","","","","","","0.97","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102753","12.1083","0.0008","8.5422","0.0007","4.8916","0.0005","90","","96.295","0.011","90","","502.9","0.07","778","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.032","","","","0.0604","","","","","","0.981","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102754","12.149","0.005","8.577","0.003","4.9048","0.0019","90","","96.25","0.03","90","","508.1","0.3","819","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0391","","","","0.0723","","","","","","0.969","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102755","12.1165","0.0008","8.5535","0.0007","4.8974","0.0005","90","","96.326","0.011","90","","504.47","0.07","903","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 Fe2 Ge4 O13 -","- Cu2 Fe2 Ge4 O13 -","- Cu4 Fe4 Ge8 O26 -","2","0.5","WS5044","Redhammer, Günther J.","Temperature-dependent crystal structure refinement and ^57^Fe Mössbauer spectroscopy of Cu~2~Fe~2~Ge~4~O~13~","Acta Crystallographica Section B","2007","63","1","4","16","10.1107/S0108768106051652","","","0.71073","MoKα","","","0.0582","","","","0.1359","","","","","","0.965","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103148","9.753","0.002","6.933","0.001","9.572","0.002","90","","94.39","0.03","90","","645.3","0.2","306","2","306","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","0.5","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","1.54178","CuKα","","0.0556","0.0468","","","0.1029","0.1094","","","","","","0.93","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103149","9.753","0.001","6.941","0.001","9.573","0.001","90","","94.38","0.01","90","","646.16","0.13","317","2","317","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","0.5","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","1.54178","CuKα","","0.0531","0.0442","","","0.1246","0.1342","","","","","","1.075","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103150","9.756","0.001","6.947","0.001","9.575","0.002","90","","94.36","0.02","90","","647.07","0.18","328","2","328","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","0.5","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","1.54178","CuKα","","0.0646","0.0551","","","0.1518","0.1606","","","","","","1.317","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103194","10.393","","10.031","","8.089","","90","","90.66","","90","","843.24","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(ethylenediammonium) hexachlororuthenate(III) monochloride monohydrate","","- C4 H22 Cl7 N4 O Ru -","- C4 H22 Cl7 N4 O Ru -","- C8 H44 Cl14 N8 O2 Ru2 -","2","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199498","2020-10-21","18:00:00",""
"2103737","8.725","0.007","10.259","0.007","10.95","0.006","90","","92.87","0.04","90","","978.9","1.2","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","[2.2]paracyclophane-4,15-disulfonimide","","- C20 H21 N3 O4 S2 -","- C20 H21 N3 O4 S2 -","- C40 H42 N6 O8 S4 -","2","0.5","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","0.71069","MoKα","","0.056","0.056","","0.064","","0.064","","","0.764","","","0.764","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103800","10.983","0.005","16.96","0.006","9.058","0.004","90","","98.03","0.07","90","","1670.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Tetra-aqua-(14-methyl-2,5,8-trioxa-11,14,17-triaza-1$2!,9$2!-dihydroxy- -1,9(1,3)-dibenzenacyclo-octadecaphane-10,17-diene)-cerium(iii) trichloride monohydrate","","- C46 H78 Ce2 Cl6 N6 O20 -","- C46 Ce2 Cl6 N6 O20 -","- C46 Ce2 Cl6 N6 O20 -","1","0.25","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.71073","MoKα","","0.0653","0.065","","","0.1625","0.1628","","","","","","1.173","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103801","10.87","0.005","16.785","0.006","9.046","0.004","90","","97.91","0.08","90","","1634.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Tetra-aqua-(14-methyl-2,5,8-trioxa-11,14,17-triaza-1$2!,9$2!-dihydroxy- -1,9(1,3)-dibenzenacyclo-octadecaphane-10,17-diene)-dysprosium(iii) trichloride monohydrate","","- C46 H78 Cl6 Dy2 N6 O20 -","- C46 Cl6 Dy2 N6 O20 -","- C46 Cl6 Dy2 N6 O20 -","1","0.25","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.71073","MoKα","","0.0458","0.0455","","","0.1286","0.1288","","","","","","1.2","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103802","10.679","0.005","18.263","0.007","10.973","0.005","90","","117.68","0.05","90","","1895.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Chloro-tris(2,2,6,6-tetramethyl-3,5-heptanedionato)-zirconium(iv)","","- C33 H57 Cl O6 Zr -","- C33 H3 Cl O6 Zr -","- C66 H6 Cl2 O12 Zr2 -","2","0.5","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.71073","MoKα","","0.2218","0.2207","","","0.3946","0.3953","","","","","","0.743","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103934","8.589","0.002","6.675","0.001","10.657","0.002","90","","112.23","0.03","90","","565.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,2-Dimethyl-4-nitro-5-morpholine-imidazole","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C18 H28 N8 O6 -","2","0.5","SN0030","Kubicki, Maciej; Borowiak, Teresa; Dutkiewicz, Grzegorz; Sobiak, Stanisław; Weidlich, Iwona","1,2-Dimethyl-4-nitro-5-morpholinoimidazole and its hydrate: a case of a centrosymmetric‒noncentrosymmetric ambiguity","Acta Crystallographica Section B","2003","59","4","487","491","10.1107/S010876810301070X","","","0.71073","MoKα","","0.0548","0.0454","","","0.0884","0.0908","","","","","","1.089","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104389","15.0501","0.0005","5.9011","0.0003","7.5322","0.0005","90","","101.566","","90","","655.37","0.06","298","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","","","","","- Bi O6 Pb2 V -","- Bi O6 Pb2 V -","- Bi4 O24 Pb8 V4 -","4","1","BP5019","Roussel, Pascal; Labidi, Olfa; Huve, Marielle; Drache, Michel; Wignacourt, Jean-Pierre; Petricek, Vaclav","The incommensurately modulated crystal structure of β-Pb~2~BiVO~6~: interpretation of the phase transition α →β \ρightarrow δ and conduction properties of related materials","Acta Crystallographica Section B","2009","65","4","416","425","10.1107/S0108768109020898","","","0.71073","MoKα","","0.0362","0.0362","","","0.0321","0.0321","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104611","8.697","0.003","16.353","0.003","12.652","0.004","90","","102.78","0.02","90","","1754.8","0.9","288.2","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","Dichloro-(bis(6-(neopentylamino)pyrid-2-ylmethyl)(pyrid-2-ylmethyl)amine- N,N',N'',N''')-ruthenium(iii) hexafluorophosphate monohydrate","","- C28 H44 Cl2 F6 N6 O2 P Ru -","- C28 H44 Cl2 F6 N6 O2 P Ru -","- C56 H88 Cl4 F12 N12 O4 P2 Ru2 -","2","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","191014","2020-10-21","18:00:00",""
"2104949","5.9169","0.0004","21.6383","0.0015","6.1135","0.0004","90","","108.028","0.001","90","","744.29","0.09","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(cis-cyclohexane-1,4-dicarboxylic acid).(hexamethylenetetramine)","","- C14 H24 N4 O4 -","- C14 H24 N4 O4 -","- C28 H48 N8 O8 -","2","0.5","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0417","0.0383","","","0.0982","0.1007","","","","","","1.135","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104995","12.303","0.002","12.543","0.002","8.049","0.001","90","","100.65","0.02","90","","1220.7","0.3","250","1","250","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0858","0.0443","","","0.1018","0.1192","","","","","","1.005","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105012","12.297","0.001","12.539","0.001","8.047","0.001","90","","100.66","0.01","90","","1219.4","0.2","253","2","253","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.081","0.0521","","","0.1302","0.1457","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105013","12.319","0.001","12.54","0.001","8.062","0.001","90","","100.8","0.01","90","","1223.4","0.2","263","2","263","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.1025","0.0561","","","0.1446","0.1676","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105014","12.295","0.001","12.542","0.001","8.046","0.001","90","","100.63","0.01","90","","1219.4","0.2","253","2","253","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0804","0.0521","","","0.1294","0.145","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105015","12.319","0.001","12.545","0.001","8.057","0.001","90","","100.76","0.01","90","","1223.3","0.2","263","2","263","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0834","0.0521","","","0.1309","0.1482","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105016","12.336","0.001","12.548","0.001","8.068","0.001","90","","100.9","0.01","90","","1226.3","0.2","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0906","0.0551","","","0.1466","0.1694","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105017","12.349","0.001","12.549","0.001","8.082","0.001","90","","101.05","0.01","90","","1229.2","0.2","280","2","280","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.109","0.0629","","","0.1702","0.1995","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105018","12.35","0.001","12.554","0.001","8.093","0.001","90","","101.2","0.01","90","","1230.9","0.2","285","2","285","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.1091","0.0681","","","0.1908","0.2219","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105019","12.362","0.001","12.557","0.001","8.102","0.001","90","","101.36","0.01","90","","1233","0.2","290","2","290","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.1675","0.0893","","","0.259","0.3137","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105188","12.1244","0.0002","12.3469","0.0002","8.1483","0.0001","90","","105.518","0.002","90","","1175.32","0.03","243","2","243","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O12.9992 -","- C28 H60 N8 Ni2 O25.9984 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0837","0.0411","","","0.1033","0.1207","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105189","12.1288","0.0002","12.3503","0.0002","8.1537","0.0001","90","","105.487","0.002","90","","1177.03","0.03","253","2","253","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C28 H60 N8 Ni2 O26 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0839","0.0434","","","0.1063","0.1244","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105190","12.1431","0.0002","12.3715","0.0002","8.1677","0.0001","90","","105.405","0.002","90","","1182.94","0.03","263","2","263","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13.0008 -","- C28 H60 N8 Ni2 O26.0016 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.088","0.043","","","0.1074","0.1276","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105191","12.1511","0.0002","12.388","0.0002","8.1827","0.0001","90","","105.358","0.002","90","","1187.74","0.03","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C28 H60 N8 Ni2 O26 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0907","0.0432","","","0.1106","0.1321","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105199","12.1311","0.0002","12.3391","0.0002","8.1432","0.0001","90","","105.506","0.001","90","","1174.56","0.03","243","1","243","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13.0008 -","- C28 H60 N8 Ni2 O26.0016 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0815","0.0405","","","0.0989","0.1145","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105664","9.863","0.002","17.36","0.01","11.19","0.05","90","","102.44","0.01","90","","1871","8","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","","","","","- C73 H8 Br2 -","- C73 H8 Br2 -","- C146 H16 Br4 -","2","0.5","BK0044","Iversen, B. B.; Darovsky, A.; Bolotovsky, R.; Coppens, P.","Low-Temperature Synchrotron Radiation Study of a Twinned Disordered Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~","Acta Crystallographica Section B","1998","54","2","174","179","10.1107/S0108768197012007","","","0.643","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105665","9.863","0.002","17.36","0.01","11.19","0.05","90","","102.44","0.01","90","","1871","8","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","","","","","- C73 H8 Br2 -","- C134 H8 Br2 -","- C268 H16 Br4 -","2","0.5","BK0044","Iversen, B. B.; Darovsky, A.; Bolotovsky, R.; Coppens, P.","Low-Temperature Synchrotron Radiation Study of a Twinned Disordered Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~","Acta Crystallographica Section B","1998","54","2","174","179","10.1107/S0108768197012007","","","0.643","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106058","6.877","","6.589","","4.929","","90","","91.12","","90","","223.303","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu2 (As O4) Cl","","- As Cl Cu2 O4 -","- As Cl Cu2 O4 -","- As2 Cl2 Cu4 O8 -","2","0.5","","Rea, J.R.; Anderson, J.B.; Kostiner, E.","The crystal structures of copper chloroarsenate and cobalt chloroarsenate, Cu2 (As O4) Cl and Co2 (As O4) Cl","Acta Crystallographica B (24,1968-38,1982)","1977","33","","975","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106059","6.88","","6.593","","4.932","","90","","91.12","","90","","223.672","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Co2 (As O4) Cl","","- As Cl Co2 O4 -","- As Cl Co2 O4 -","- As2 Cl2 Co4 O8 -","2","0.5","","Rea, J.R.; Anderson, J.B.; Kostiner, E.","The crystal structures of copper chloroarsenate and cobalt chloroarsenate, Cu2 (As O4) Cl and Co2 (As O4) Cl","Acta Crystallographica B (24,1968-38,1982)","1977","33","","975","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106096","18.2","","4.212","","5.506","","90","","102.37","","90","","412.282","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Gd0.75 Y0.25) Ni","","- Gd0.75 Ni Y0.25 -","- Gd0.75 Ni Y0.25 -","- Gd7.5 Ni10 Y2.5 -","10","2.5","","Klepp, K.; Parthe, E.","Fe B - Cr B stacking variations for rare-earth-nickel alloys in the quasi-binary sections R1-x Rx Ni","Acta Crystallographica B (24,1968-38,1982)","1980","36","","774","782","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106097","10.76","","4.194","","5.508","","90","","96.98","","90","","246.72","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Gd0.7 Y0.3) Ni","","- Gd0.7 Ni Y0.3 -","- Gd0.7 Ni Y0.3 -","- Gd4.2 Ni6 Y1.8 -","6","1.5","","Klepp, K.; Parthe, E.","Fe B - Cr B stacking variations for rare-earth-nickel alloys in the quasi-binary sections R1-x Rx Ni","Acta Crystallographica B (24,1968-38,1982)","1980","36","","774","782","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106098","10.67","","4.195","","5.475","","90","","97.3","","90","","243.078","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Gd0.2 Tb0.8) Ni","","- Gd0.2 Ni Tb0.8 -","- Gd0.2 Ni Tb0.8 -","- Gd1.2 Ni6 Tb4.8 -","6","1.5","","Klepp, K.; Parthe, E.","Fe B - Cr B stacking invariants in the system Gd Ni - Tb Ni","Acta Crystallographica B (24,1968-38,1982)","1981","37","","495","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106099","32.49","","4.226","","5.478","","90","","101.9","","90","","735.98","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Gd0.4 Tb0.6) Ni","","- Gd0.4 Ni Tb0.6 -","- Gd0.4 Ni Tb0.6 -","- Gd7.2 Ni18 Tb10.8 -","18","4.5","","Klepp, K.; Parthe, E.","Fe B - Cr B stacking variants in the system Gd Ni - Tb Ni","Acta Crystallographica B (24,1968-38,1982)","1981","37","","495","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106108","4.622","","4.21","","2.885","","90","","96.8","","90","","55.743","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Michal, G.M.; Sinclair, R.","The structure of Ti Ni martensite","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1803","1807","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106155","14.35","","4.271","","5.468","","90","","100.39","","90","","329.632","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Dy0.45 Gd0.55) Ni","","- Dy0.45 Gd0.55 Ni -","- Dy0.45 Gd0.55 Ni -","- Dy3.6 Gd4.4 Ni8 -","8","2","","Klepp, K.; Parthe, E.","Fe B - Cr B stacking variations of ternary rare earth-metal transition alloys in quasi-binary sections R1-x R'x Ni","Acta Crystallographica B (24,1968-38,1982)","1980","36","","774","782","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106279","10.753","","8.131","","6.609","","90","","90.71","","90","","577.798","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","In2 K F7","","- F7 In2 K -","- F7 In2 K -","- F28 In8 K4 -","4","1","","Champarnaud-Mesjard, J.C.; Frit, B.","Structure cristalline du fluoroindate de potassium K In2 F7","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3722","3726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106280","18.838","","8.106","","6.633","","90","","90.44","","90","","1012.84","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb2 In3 F11","","- F11 In3 Rb2 -","- F11 In3 Rb2 -","- F44 In12 Rb8 -","4","1","","Champarnaud-Mesjard, J.C.; Frit, B.","Structure cristalline du fluoroindate de rubidium Rb2 In3 F11","Acta Crystallographica B (24,1968-38,1982)","1978","34","","736","741","","","","","","","","","","","","","","","","","","","","","","has coordinates","148656","2020-10-21","18:00:00",""
"2106296","6.543","","11.49","","8.015","","90","","96.51","","90","","598.675","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Cs (Ti (C2 O4)2 (H2 O)3) (H2 O)2","","- C4 H10 Cs O13 Ti -","- C4 H10 Cs O13 Ti -","- C8 H20 Cs2 O26 Ti2 -","2","0.5","","Drew, M.G.B.; Eve, D.J.","Cesium triaquabis(oxalato)titanate(III) dihydrate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2919","2921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106318","5.593","","11.062","","7.682","","90","","109.1","","90","","449.119","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","S4 N4 As F5","","- As F5 N4 S4 -","- As F5 N4 S4 -","- As2 F10 N8 S8 -","2","0.5","","Gillespie, R.J.; Sawyer, J.F.; Kent, J.P.","The Molecular Adduct Cyclotetra(azathiene) Arsenic Pentafluoride","Acta Crystallographica B (24,1968-38,1982)","1980","36","","655","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106345","9.243","","11.736","","7.786","","90","","118.86","","90","","739.696","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","K3 Na (V (C N)6 N O) (H2 O)2","","- C6 H4 K3 N7 Na O3 V -","- C6 H4 K3 N7 Na O3 V -","- C12 H8 K6 N14 Na2 O6 V2 -","2","0.5","","Jagner, S.; Ljungstroem, E.","Tripotassium monosodium hexacyanonitrosylvanadate(I) dihydrate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","653","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2106423","5.865","","7.123","","5.619","","90","","92.58","","90","","234.504","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na D2 As O4 (D2 O)","","- As D4 Na O5 -","- As D4 Na O5 -","- As2 D8 Na2 O10 -","2","0.5","","Rendle, D.F.; Trotter, J.","Sodium dideuteriumarsenate monodeuterate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2684","2686","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106514","7.134","","17.651","","7.267","","90","","111.74","","90","","849.991","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Si9.04 Ca11.44 As16","","- As16 Ca11.44 Si9.04 -","- As16 Ca11.44 Si9.04 -","- As16 Ca11.44 Si9.04 -","1","0.25","","Hamon, M.; l'Haridon, P.; Guyader, J.; Laurent, Y.","Etude d'arseniures et phosphures doubles. Structure de Ca10+x Si12-2x As16 (et P16)","Acta Crystallographica B (24,1968-38,1982)","1975","31","","445","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","150946","2020-10-21","18:00:00",""
"2106561","5.836","","3.552","","4.247","","90","","109.33","","90","","83.075","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Lu O (O H)","","- H Lu O2 -","- Lu O2 -","- Lu2 O4 -","2","0.5","","Milligan, W.O.; Mullica, D.F.; Hall, M.A.","Structural Refinement of Lutetium Hydroxide Oxide","Acta Crystallographica B (24,1968-38,1982)","1980","36","","3086","3088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106577","6.56","","23.057","","6.978","","90","","90.08","","90","","1055.45","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2.6 Li5.4 (Li4 Si16 O38) (H2 O)4.3","","- K2.23 Li10.28 O41.784 Si16 -","- K2.23 Li10.28 O41.784 Si16 -","- K2.23 Li10.28 O41.784 Si16 -","1","0.25","","Park, S.-H.; Boysen, H.; Parise, J.B.","Structural disorder of a new zeolite-like lithosilicate, K2.6 Li5.4 [Li4 Si16 O38] . 4.3H2 O","Acta Crystallographica B (39,1983-)","2006","62","","42","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","151454","2020-10-21","18:00:00",""
"2106689","6.389","","10.966","","6.613","","90","","115.65","","90","","417.661","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- P4 S5 -","- P4 S5 -","- P8 S10 -","2","0.5","","Griffin, A.M.; Sheldrick, G.M.","Beta-tetraphophorus pentasulphide","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2738","2740","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106733","5.828","","8.534","","5.557","","90","","97.79","","90","","273.833","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(U O2) Cl2 (H2 O)","","- Cl2 H2 O3 U -","- Cl2 H2 O3 U -","- Cl4 H4 O6 U2 -","2","0.5","","Taylor, J.C.; Wilson, P.W.","The structure of uranyl chloride monohydrate by neutron diffraction and the disorder of the water molecule","Acta Crystallographica B (24,1968-38,1982)","1974","30","","169","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106734","5.847","","8.596","","5.543","","90","","97.51","","90","","276.206","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","U O2 Cl2 D2 O","","- Cl2 D2 O3 U -","- Cl2 D2 O3 U -","- Cl4 D4 O6 U2 -","2","0.5","","Taylor, J.C.; Wilson, P.W.","The structure of Uranyl Chloride Monohydrate by neutron diffraction and the disorder of the water molecule","Acta Crystallographica B (24,1968-38,1982)","1974","30","","169","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106857","9.59","","4.39","","5.42","","90","","99.75","","90","","224.887","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Ba (N3)2","","- Ba N6 -","- Ba N6 -","- Ba2 N12 -","2","0.5","","Choi, C.S.","Neutron diffraction study of Ba (N3)2","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2638","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106873","4.63","","5.568","","7.047","","90","","110.21","","90","","170.486","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","K Cl O3","","- Cl K O3 -","- Cl K O3 -","- Cl2 K2 O6 -","2","0.5","","Danielsen, J.; Larsen, F.K.; Hazell, A.","The Structure of Potassium Chlorate at 77 and 298 K","Acta Crystallographica B (24,1968-38,1982)","1981","37","","913","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106876","6.482","","15.298","","11.087","","90","","90.53","","90","","1099.36","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","((C O)2 (Co (C O)3)2)","","- C8 Co2 O8 -","- C8 Co2 O8 -","- C32 Co8 O32 -","4","1","","Leung, P.C.; Coppens, C.","Experimental charge density study of dicobalt octacarbonyl and comparison with theory","Acta Crystallographica B (39,1983-)","1983","39","","535","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","161343","2020-10-21","18:00:00",""
"2106925","6.139","","13.493","","12.235","","90","","108.49","","90","","961.152","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ba Sn2 S3","","- Ba S3 Sn2 -","- Ba S3 Sn2 -","- Ba6 S18 Sn12 -","6","1.5","","del Bucchia, S.; Jumas, J.C.; Maurin, M.","Etude du systeme Sn S - Ba S: Structure de Ba Sn2 S3","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2935","2940","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107017","6.464","","11.8697","","7.9518","","90","","98.911","","90","","602.744","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Cs Nb O (C2 O4)2 (H2 O)2 (H2 O)2","","- C4 H8 Cs Nb O13 -","- C4 H8 Cs Nb O13 -","- C8 H16 Cs2 Nb2 O26 -","2","0.5","","Kojic-Prodic, B.; Liminga, R.; Scavnicar, S.","The crystal structure of cesium oxobisoxalatobisaquoniobate(V) dihydrate, Cs Nb O (C2 O4)2 (H2 O)2 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","864","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2107036","6.6736","","16.1224","","7.0373","","90","","91.81","","90","","756.797","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Cd3 K Cl7 (H2 O)4","","- Cd3 Cl7 H8 K O4 -","- Cd3 Cl7 H8 K O4 -","- Cd6 Cl14 H16 K2 O8 -","2","0.5","","Ledesert, M.","Structure de l'Heptachlorure de Tricadmium et de Potassium Tetrahydrate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1569","1571","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107102","5.87","","3.58","","4.27","","90","","109.3","","90","","84.689","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Yb O (O H)","","- H O2 Yb -","- H O2 Yb -","- H2 O4 Yb2 -","2","0.5","","Norlund Christensen, A.; Lebech, B.","Magnetic transition temperature of terbium hydroxide oxide. structure of ytterbium hydroxide oxide","Acta Crystallographica B (24,1968-38,1982)","1981","37","","425","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107180","8.022","","9.611","","4.354","","90","","97.03","","90","","333.167","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","K I Cl2 H2 O","","- Cl2 H2 I K O -","- Cl2 H2 I K O -","- Cl4 H4 I2 K2 O2 -","2","0.5","","Soled, S.; Carpenter, G.B.","The crystal structure of K I Cl2 and K I Cl2 H2 O","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2104","2109","","","","","","","","","","","","","","","","","","","","","","has coordinates","189208","2020-10-21","18:00:00",""
"2107197","3.5792","","13.3228","","5.0965","","90","","102.6","","90","","237.174","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N2 H5 H C2 O4","","- C2 H6 N2 O4 -","- C2 H6 N2 O4 -","- C4 H12 N4 O8 -","2","0.5","","Thomas, J.O.","Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1767","1776","","","","","","","","","","","","","","","","","","","","","","has coordinates","168227","2020-10-21","18:00:00",""
"2107223","21.259","","3.897","","10.998","","90","","96.36","","90","","905.536","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","In5 Tb3 S12","","- In5 S12 Tb3 -","- In5 S12 Tb3 -","- In10 S24 Tb6 -","2","0.5","","Carre, D.","Structure cristalline du sulfure d'indium et de terbium Tb3 In5 S12","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1163","1166","","","","","","","","","","","","","","","","","","","","","","has coordinates","168665","2020-10-21","18:00:00",""
"2107255","6.503","","3.434","","9.215","","90","","103.39","","90","","200.189","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Nb2 Se3 -","- Nb2 Se3 -","- Nb4 Se6 -","2","0.5","","Kadijk, F.; Huisman, R.; Jellinek, F.","The crystal structures of niobium(III) selenide and tantalum(III) selenide","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1102","1106","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107395","16.167","","3.917","","11.111","","90","","94.044","","90","","701.865","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Bi2 In4 S9 -","- Bi2 In4 S9 -","- Bi4 In8 S18 -","2","0.5","","Chapuis, G.; Gnehm, C.; Kraemer, V.","Crystal structure and crystal chemistry of bismuth indium sulphide, Bi2 In4 S9","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3128","3130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107630","8.2451","0.0008","6.5202","0.0006","8.8214","0.0008","90","","96.509","0.003","90","","471.18","0.08","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H19 N -","- C11 H19 N -","- C22 H38 N2 -","2","0.5","GP5081","Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče","Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts","Acta Crystallographica Section B","2016","72","4","551","561","10.1107/S2052520616006326","","","0.71073","MoKα","","0.081","0.0758","","","0.1456","0.1478","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","185006","2020-10-21","18:00:00",""
"2108515","8.5689","0.0003","6.4113","0.0002","8.8248","0.0004","90","","110.2","0.004","90","","455","0.03","295","1","295","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H9 Br N2 O2 -","- C7 H9 Br N2 O2 -","- C14 H18 Br2 N4 O4 -","2","0.5","AW5028","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0277","0.0243","","","0.0569","0.0584","","","","","","1.062","","","","has coordinates,has Fobs","225414","2020-10-21","18:00:00",""
"2108517","8.1234","0.0003","6.6252","0.0002","8.5799","0.0003","90","","98.712","0.003","90","","456.44","0.03","295","1","295","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H9 N3 O5 -","- C7 H9 N3 O5 -","- C14 H18 N6 O10 -","2","0.5","","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0502","0.041","","","0.1105","0.1186","","","","","","1.09","","","","has coordinates,has Fobs","225414","2020-10-21","18:00:00",""
"2108803","7.0258","0.0003","17.1769","0.0005","8.1463","0.0007","90","","108.886","0.005","90","","930.18","0.1","297.1","0.4","297.1","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- As0.201 H10 O21 P0.799 Pb2 U3 -","- As1.166 H10 O21 P0.834 Pb2 U3 -","- As2.332 H20 O42 P1.668 Pb4 U6 -","2","0.5","","Plášil, Jakub; Petříček, Václav; Škácha, Pavel","Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004091","","x-ray","0.71073","MoKα","","0.075","0.0482","","","0.1181","0.1373","","","","1.1145","1.1145","1.067","","","","has coordinates","265241","2021-05-15","04:29:25",""
"2108804","7.0189","0.0007","17.137","0.001","8.131","0.001","90","","108.9","0.01","90","","925.29","0.17","296.8","","296.8","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As0.195 O21 P0.805 Pb2 U3 -","- As1.194 O21 P0.806 Pb2 U3 -","- As2.388 O42 P1.612 Pb4 U6 -","2","0.5","","Plášil, Jakub; Petříček, Václav; Škácha, Pavel","Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004091","","x-ray","0.71073","MoKα","","0.1591","0.0763","","","0.1837","0.2263","","","","1.6968","1.6968","1.49","","","","has coordinates","265242","2021-05-15","04:29:58",""
"2200033","7.1704","0.0003","6.6685","0.0006","7.4937","0.0006","90","","99.555","0.005","90","","353.35","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","3-carboxypyridinium chloride","3-carboxypyridinium chloride","","- C6 H6 Cl N O2 -","- C6 H6 Cl N O2 -","- C12 H12 Cl2 N2 O4 -","2","0.5","CF6022","Slouf, Miroslav","3-Carboxypyridinium chloride","Acta Crystallographica Section E","2001","57","1","o61","o62","10.1107/S1600536800019632","","","0.7107","MoKα","","0.036","0.031","","","","0.077","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200270","7.1501","0.0014","13.185","0.003","8.4979","0.0017","90","","106.45","0.03","90","","768.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RhCl~2~(Cp^*^)(pyridine)","Dichloro(η^5^-pentamethylcyclopentadienyl)(pyridine-N)rhodium","","- C15 H20 Cl2 N Rh -","- C15 H20 Cl2 N Rh -","- C30 H40 Cl4 N2 Rh2 -","2","0.5","BT6035","Therrien, Bruno; Burrell, Anthony K.","Dichloro(η^5^-pentamethylcyclopentadienyl)(pyridine-<i>N</i>)rhodium","Acta Crystallographica Section E","2001","57","6","m259","m260","10.1107/S160053680100736X","","","0.71073","MoKα","","0.0179","0.0165","","","","0.0456","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200377","6.524","0.001","6.591","0.001","8.205","0.002","90","","108.29","0.03","90","","334.99","0.12","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Europiumtetrathiosilicate(IV)","","- Eu2 S4 Si -","- Eu2 S4 Si -","- Eu4 S8 Si2 -","2","0.5","BR6024","Johrendt, Dirk; Pocha, Regina","Europium thiosilicate at 100K","Acta Crystallographica Section E","2001","57","7","i57","i59","10.1107/S1600536801010376","","","0.71073","MoKα","","0.0529","0.0445","","","","0.0715","","","","","","1.131","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200788","6.7155","0.0008","14.6106","0.0011","10.3011","0.0008","90","","95.333","0.01","90","","1006.34","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","copper(II)diene dichloride","","","- C8 H28 Cl4 Cu2 N6 O -","- C8 H28 Cl4 Cu2 N6 O -","- C16 H56 Cl8 Cu4 N12 O2 -","2","0.5","WN6069","Willett, Roger D.","Aqua-di-μ~2~-chloro-bis(diethylenetriamine)dicopper(II) dichloride","Acta Crystallographica Section E","2001","57","12","m605","m606","10.1107/S1600536801019808","","","0.71073","MoKα","","0.0472","0.0407","","","","0.1159","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200858","7.4288","0.0003","13.1426","0.0005","10.2527","0.0003","90","","102.248","0.0018","90","","978.23","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","2,6,12,16-Tetraaza-1,7,11,17-tetraoxacycloicosane-diaquanickel(II) dichloride","","- C12 H32 Cl2 N4 Ni O6 -","- C12 H32 Cl2 N4 Ni O6 -","- C24 H64 Cl4 N8 Ni2 O12 -","2","0.5","CF6147","Kuksa, Vladimir A.; Wardell, Solange M. S. V; Lin, Paul Kong Thoo; Howie, R. Alan","Further refinement of diaqua(1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane-<i>N,N</i>',<i>N</i>'',<i>N</i>''')nickel(II) dichloride","Acta Crystallographica Section E","2002","58","3","m74","m76","10.1107/S1600536802001915","","","0.71073","MoKα","","0.0282","0.0246","","","0.0613","0.0631","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2201333","3.73","0.004","7.486","0.004","11.019","0.005","90","","94.34","0.07","90","","306.8","0.4","172","2","172","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3,5-Difluorobenzonitrile","","- C7 H3 F2 N -","- C7 H3 F2 N -","- C14 H6 F4 N2 -","2","0.5","CF6190","Britton, Doyle","3,5-Difluorobenzonitrile","Acta Crystallographica Section E","2002","58","8","o840","o841","10.1107/S1600536802012072","","","0.71073","MoKα","","0.049","0.041","","","0.111","0.12","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201346","6.2048","0.0009","10.398","0.0011","7.3089","0.001","90","","106.085","0.011","90","","453.09","0.11","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H8 Cl3 Ga O -","- C4 H8 Cl3 Ga O -","- C8 H16 Cl6 Ga2 O2 -","2","0.5","CF6203","Scholz, Stefan; Lerner, Hans-Wolfram; Bolte, Michael","Trichloro(tetrahydrofuran)gallium(III)","Acta Crystallographica Section E","2002","58","10","m586","m587","10.1107/S1600536802016100","","","0.71073","MoKα","","0.0406","0.0352","","","0.0901","0.0933","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201527","4.1031","0.0004","12.1158","0.0012","10.4553","0.001","90","","95.171","0.006","90","","517.64","0.09","291","1","291","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C22 H20 N4 O6 -","2","0.5","NA6171","Kolev, Tsonko; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Spiteller, Michael","4-Dimethylaminopyridinium-1-squarate","Acta Crystallographica Section E","2002","58","11","o1267","o1268","10.1107/S1600536802018640","","","0.71073","MoKα","","0.1266","0.0374","","","0.0753","0.086","","","","","","0.909","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202068","6.6117","0.0014","9.1388","0.0015","11.3024","0.0019","90","","100.45","0.017","90","","671.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,2,6,6-tetramethyl-4-piperidonium trifluoroacetate","","- C11 H18 F3 N O3 -","- C11 H18 F3 N O3 -","- C22 H36 F6 N2 O6 -","2","0.5","NA6209","Breitung, Sven; Lerner, Hans-Wolfram; Bolte, Michael","2,2,6,6-Tetramethyl-4-oxopiperidinium trifluoroacetate","Acta Crystallographica Section E","2003","59","4","o445","o446","10.1107/S1600536803004938","","","0.71073","MoKα","","0.0673","0.0494","","","0.1315","0.1409","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202132","6.3475","0.0011","10.779","0.002","7.4326","0.0012","90","","106.971","0.013","90","","486.39","0.15","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H8 Al Br3 O -","- C4 H8 Al Br3 O -","- C8 H16 Al2 Br6 O2 -","2","0.5","OB6237","Scholz, Stefan; Lerner, Hans-Wolfram; Bolte, Michael","Tribromo(tetrahydrofuran)aluminium(III)","Acta Crystallographica Section E","2003","59","5","m289","m290","10.1107/S1600536803008614","","","0.71073","MoKα","","0.0804","0.0575","","","0.1024","0.11","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202329","8.364","0.0012","6.5476","0.0011","8.5472","0.0012","90","","106.815","0.005","90","","448.07","0.12","133","2","133","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,5-dibromoanilinium bromide","","- C6 H6 Br3 N -","- C6 H6 Br3 N -","- C12 H12 Br6 N2 -","2","0.5","BT6297","Jones, Peter G.; Lozano, Virginia","A second polymorph of 2,5-dibromoanilinium bromide","Acta Crystallographica Section E","2003","59","8","o1092","o1094","10.1107/S160053680301465X","","","0.71073","MoKα","","0.0352","0.0298","","","0.0725","0.0743","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202429","3.6831","0.0003","16.4717","0.0014","6.0485","0.0004","90","","90.229","0.005","90","","366.94","0.05","120","2","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C8 H6 O5 -","- C8 H6 O5 -","- C16 H12 O10 -","2","0.5","CF6269","Philip J Cox; Marion T. Murphy","Disordered 4-hydroxyisophthalic acid","Acta Crystallographica Section E","2003","59","8","o1108","o1110","10.1107/S1600536803014740","","","0.71073","MoKα","","","0.0842","","","","0.2145","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203138","8.364","0.003","6.816","0.003","10.972","0.005","90","","101.98","0.006","90","","611.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N-(4-methyl-1-piperazinyl)phthalimide","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C26 H30 N6 O4 -","2","0.5","AC6078","Guo, Ming-Lin","<i>N</i>-(4-Methyl-1-piperazinyl)phthalimide","Acta Crystallographica Section E","2004","60","2","o306","o307","10.1107/S1600536804001825","","","0.71073","MoKα","","0.0539","0.041","","","0.1051","0.1138","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203315","6.572","0.003","6.199","0.003","9.463","0.003","90","","104.54","0.03","90","","373.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,4-Diacetyl-1,2,4-triazolin-5-one","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C12 H14 N6 O6 -","2","0.5","LH6173","Crockett, Rowena; Forrester, Alexander R.; Howie, R. Alan","1,4-Diacetyl-1,2,4-triazolin-5-one","Acta Crystallographica Section E","2004","60","3","o460","o461","10.1107/S1600536804004027","","","0.71073","MoKα","","0.0526","0.0402","","","0.1033","0.1093","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203370","5.555","0.001","27.83","0.009","6.842","0.002","90","","107.56","0.02","90","","1008.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RbMn~6~(As~2~O~7~)~2~(As~3~O~10~)","Rubidium manganese arsenate(1;6;7)","","- As7 Mn6 O24 Rb -","- As7 Mn6 O24 Rb -","- As14 Mn12 O48 Rb2 -","2","0.5","BR6138","Ayed,Brahim; Haj Abbdallah,Anissa; Hadded,Amor","RbMn~6~(As~2~O~7~)~2~(As~3~O~10~): a new manganese(II) arsenate","Acta Crystallographica, Section E","2004","60","4","i52","i54","10.1107/S1600536804004544","","","0.71073","MoKα","","0.0632","0.0371","","","0.0949","0.1106","","","","","","1.094","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203490","6.0907","0.0005","12.8263","0.001","6.7722","0.0006","90","","100.029","0.001","90","","520.97","0.07","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Tricarbonyl(η^6^-1,3-dimethylbenzene)chromium","","","- C11 H10 Cr O3 -","- C11 H10 Cr O3 -","- C22 H20 Cr2 O6 -","2","0.5","OM6224","Zeller, Matthias; Hunter, Allen D.; Meta, Chris","Tricarbonyl(η^6^-1,3-dimethylbenzene)chromium","Acta Crystallographica Section E","2004","60","4","m432","m433","10.1107/S1600536804005902","","","0.71073","MoKα","","0.0345","0.032","","","0.0815","0.0828","","","","","","1.116","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203502","8.3514","0.0012","6.7324","0.0005","13.3203","0.0019","90","","104.275","0.011","90","","725.81","0.16","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Adamantan-1-yl)-5-methylbenzo[d][1,3]oxazin-4-one","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C38 H42 N2 O4 -","2","0.5","SU6090","Jonathan D Crane; Eleanor Rogerson","2-(Adamantan-1-yl)-5-methylbenzo[<i>d</i>][1,3]oxazin-4-one","Acta Crystallographica Section E","2004","60","4","o669","o670","10.1107/S1600536804006907","","","0.71073","MoKα","","0.0725","0.0475","","","0.1312","0.1411","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203715","10.025","0.003","7.335","0.003","9.845","0.003","90","","108.05","0.02","90","","688.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","7-iodo-8-hydroxquinoline-5-sulfonic acid‒urea‒water (1/1/1)","","","- C10 H12 I N3 O6 S -","- C10 H12 I N3 O6 S -","- C20 H24 I2 N6 O12 S2 -","2","0.5","BT6462","Graham Smith; Urs D. Wermuth; Peter C. Healy","The 1/1/1 adduct hydrate of 8-hydroxy-7-iodoquinoline-5-sulfonic acid (ferron) with urea","Acta Crystallographica Section E","2004","60","6","o1040","o1042","10.1107/S1600536804011274","","","0.71069","MoKα","","0.0286","0.0274","","","0.0849","0.0868","","","","","","0.891","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203972","8.873","0.001","6.567","0.001","10.629","0.002","90","","100.437","0.002","90","","609.09","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Dimolybdato(VI)bis[(1,10-phenanthroline)iron(II)]","","- C24 H16 Fe2 Mo2 N4 O8 -","- C24 H16 Fe2 Mo2 N4 O8 -","- C24 H16 Fe2 Mo2 N4 O8 -","1","0.25","BT6478","Zhang, Xian-Ming; Fang, Rui-Qin; Ng, Seik Weng","Rerefinement of poly[[tetra-μ-oxo-dioxobis(1,10-phenanthroline-κ^2^<i>N,N</i>)dimolybdenum(VI)iron(II)]-di-μ-oxo] in the centrosymmetric space group <i>P</i>2~1~/<i>m</i>","Acta Crystallographica Section E","2004","60","8","m1049","m1050","10.1107/S1600536804015685","","","0.71073","MoKα","","0.027","0.024","","","0.064","0.065","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204094","7.1357","0.001","16.986","0.003","7.8957","0.0012","90","","90.585","0.002","90","","957","0.3","153","2","153","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cu Se6 Sm3 -","- Cu Se6 Sm3 -","- Cu4 Se24 Sm12 -","4","1","WM6023","Ijjaali, Ismail; Ibers, James A.","An ordered polymorph of copper trisamarium hexaselenide, CuSm~3~Se~6~","Acta Crystallographica Section E","2004","60","8","i89","i90","10.1107/S1600536804015776","","","0.71073","MoKα","","0.05","0.0394","","","0.0968","0.1033","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204358","9.815","0.002","6.372","0.001","9.919","0.002","90","","102.753","0.004","90","","605","0.2","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[bis[oxo(1,10-phenanthroline)vanadium(IV)]-di-μ-hydrogenphosphato]","","- C24 H18 N4 O10 P2 V2 -","- C24 H18 N4 O10 P2 V2 -","- C24 H18 N4 O10 P2 V2 -","1","0.25","KP6002","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[[oxo(1,10-phenanthroline)vanadium(IV)]-di-μ-hydrogenphosphato]","Acta Crystallographica Section E","2004","60","10","m1542","m1543","10.1107/S1600536804023931","","","0.71073","MoKα","","0.1203","0.0637","","","0.1497","0.2241","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204689","9.354","0.003","6.7787","0.0012","9.566","0.003","90","","102.72","0.005","90","","591.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","N-tert-Butyl-4-chloro-5-methyl-2-nitroaniline","","- C11 H15 Cl N2 O2 -","- C11 H15 Cl N2 O2 -","- C22 H30 Cl2 N4 O4 -","2","0.5","GH6007","Zhang, Ying; Feng, Tian-Yang; Li, Shu-Yi","<i>N</i>-<i>tert</i>-Butyl-4-chloro-5-methyl-2-nitroaniline","Acta Crystallographica Section E","2004","60","12","o2501","o2502","10.1107/S1600536804030570","","","0.71073","MoKα","","0.0634","0.036","","","0.0855","0.0985","","","","","","1.052","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204829","11.513","0.003","6.783","0.0017","12.176","0.003","90","","102.94","0.02","90","","926.7","0.4","293","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4-(Dimethylamino)pyridinium 2-butoxy-3-dicyanomethylene-4-oxocyclobut-1-en-1-olate","","- C18 H20 N4 O3 -","- C18 H20 N4 O3 -","- C36 H40 N8 O6 -","2","0.5","YA6225","Roman I. Zubatyuk; Vyacheslav N. Baumer; Anatoliy L. Tatarets; Leonid D. Patsenker; Oleg V. Shishkin","4-(Dimethylamino)pyridinium 2-butoxy-3-dicyanomethylene-4-oxocyclobut-1-en-1-olate","Acta Crystallographica Section E","2004","60","12","o2252","o2254","10.1107/S1600536804027965","","","0.71073","MoKα","","","0.04","","","","0.101","","","","","","0.82","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205187","6.4744","0.0016","23.758","0.006","7.5236","0.0019","90","","108.715","0.003","90","","1096.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly [tetraqua cadmium(II)-μ-hexane-1,6-diamineK~2~N:N'] terephthalate dihydrate]","","- C14 H32 Cd N2 O10 -","- C14 H32 Cd N2 O10 -","- C28 H64 Cd2 N4 O20 -","2","0.5","WW6340","Meng, Xiang-Gao; Lin, Zhi-Dong","<i>catena</i>-Poly[[tetraaquacadmium(II)-μ-hexane-1,6-diamine-κ^2^<i>N</i>:<i>N</i>'] terephthalate dihydrate]","Acta Crystallographica Section E","2005","61","2","m263","m264","10.1107/S1600536804034233","","","0.71073","MoKα","","0.0377","0.0364","","","0.0839","0.0845","","","","","","1.215","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205225","7.195","0.002","7.106","0.002","9.131","0.003","90","","92.866","0.005","90","","466.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-(Imidazolidin-2-ylidene)-6-methyl-3,4,5,6-tetrahydro-2H-pyran-2,4-dione","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C18 H24 N4 O6 -","2","0.5","CF6397","Jing-Jun Hao; Hu Xu; Hai-Bing Song; You-Ming Wang; Zheng-Ming Li","3-(Imidazolidin-2-ylidene)-6-methyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2,4-dione","Acta Crystallographica Section E","2005","61","3","o749","o750","10.1107/S1600536805004812","","","0.71073","MoKα","","0.0689","0.0446","","","0.1212","0.1377","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205265","6.143","0.001","25.34","0.005","7.483","0.001","90","","97.58","0.03","90","","1154.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Catena-poly [aqua dicinnamate cadmium-u-1,4-diazabicyclo[2.2.2]octane]","","- C24 H28 Cd N2 O5 -","- C24 H28 Cd N2 O5 -","- C48 H56 Cd2 N4 O10 -","2","0.5","HB6110","Qu, Yang; Liu, Zhao-Di; Zhu, Hai-Liang; Tan, Min-Yu","<i>catena</i>-Poly[[aquadicinnamatocadmium]-μ-1,4-diazabicyclo[2.2.2]octane]","Acta Crystallographica Section E","2005","61","3","m420","m422","10.1107/S1600536804034282","","","0.71073","MoKα","","0.0481","0.0436","","","0.1129","0.1158","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205500","8.109","0.001","6.6266","0.0008","8.381","0.001","90","","113.406","0.002","90","","413.3","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-cyano-N-methylpyridinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C14 H14 Br2 N4 -","2","0.5","HG6136","Mague, Joel T.; Ivie, Ryan M.; Hartsock, Robert W.; Koplitz, Lynn Vogel; Spulak, Mary","3-Cyano-<i>N</i>-methylpyridinium bromide","Acta Crystallographica Section E","2005","61","4","o851","o853","10.1107/S1600536805006264","","","0.71073","MoKα","","0.0347","0.0291","","","0.0616","0.0629","","","","","","0.927","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205792","8.363","0.007","6.898","0.006","11.524","0.01","90","","96.879","0.012","90","","660","1","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4-Phenyl-5-(1',5'-dimethyl-4'-pyrazolyl)-1,2,4-triazol-3-thione","","- C13 H13 N5 S -","- C13 H13 N5 S -","- C26 H26 N10 S2 -","2","0.5","RZ6065","Wen, Li-Rong; Ke, Zi-Qin; Li, Ming; Guo, Wei-Si","3-(1,5-Dimethylpyrazol-4-yl)-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","5","o1436","o1438","10.1107/S1600536805011748","","","0.71073","MoKα","","0.0509","0.0368","","","0.0922","0.1002","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205849","8.666","0.002","10.125","0.003","4.7776","0.0012","90","","93.98","0.01","90","","418.19","0.19","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,6-Dibromo-4-chlorobenzonitrile","","- C7 H2 Br2 Cl N -","- C7 H2 Br2 Cl N -","- C14 H4 Br4 Cl2 N2 -","2","0.5","AC6176","Britton, Doyle","2,6-Dibromo-4-chlorobenzonitrile","Acta Crystallographica Section E","2005","61","6","o1726","o1727","10.1107/S1600536805014686","","","0.71073","MoKα","","0.023","0.022","","","0.056","0.057","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205970","7.336","0.004","6.607","0.004","10.092","0.006","90","","96.387","0.009","90","","486.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine","","- C9 H9 Cl N4 -","- C9 H9 Cl N4 -","- C18 H18 Cl2 N8 -","2","0.5","HG6189","Wei-Min Liu; You-Quan Zhu; Yi-Feng Wang; Gong-Chun Li; Hua-Zheng Yang","2-Chloro-4-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)pyrimidine","Acta Crystallographica Section E","2005","61","6","o1821","o1822","10.1107/S160053680501531X","","","0.71073","MoKα","","0.0519","0.0358","","","0.0947","0.106","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206186","9.485","0.002","6.8022","0.0016","9.681","0.002","90","","118.263","0.003","90","","550.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","0.5","HB6200","Li, Su-Yue; Song, Yin-Yin; You, Zhong-Lu; Wen, Yan-Wei; Qin, Jin-Gui","2-Dicyanomethylene-4,5,5-trimethyl-2,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2005","61","7","o2093","o2095","10.1107/S1600536805017976","","","0.71073","MoKα","","0.0826","0.0648","","","0.1966","0.2129","","","","","","0.973","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206506","4.01","0.001","14.829","0.005","6.111","0.002","90","","93.274","0.002","90","","362.79","0.19","123.1","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H4 Br2 O -","- C7 H4 Br2 O -","- C14 H8 Br4 O2 -","2","0.5","OB6539","Kubo, Kanji; Matsumoto, Taisuke; Mori, Akira","2,7-Dibromo-2,4,6-cycloheptatrien-1-one (2,7-dibromotropone)","Acta Crystallographica Section E","2005","61","8","o2542","o2544","10.1107/S1600536805020210","","","0.7107","MoKα","","","0.019","","","","0.047","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206577","5.9078","0.0013","5.9821","0.0013","7.9503","0.0019","90","","92.22","0.03","90","","280.76","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dirubidium sodium manganate(V)","","- Mn Na O4 Rb2 -","- Mn Na O4 Rb2 -","- Mn2 Na2 O8 Rb4 -","2","0.5","WM6078","Möller, Angela; Kerp, Oliver","Dirubidium sodium manganate(V), Rb~2~NaMnO~4~","Acta Crystallographica Section E","2005","61","8","i146","i147","10.1107/S1600536805020453","","","0.71073","MoKα","","0.0439","0.0361","","","0.0712","0.0743","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206600","11.3218","0.0011","12.7214","0.0013","11.8011","0.0012","90","","105.976","0.002","90","","1634.1","0.3","293","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Di-μ-diphenylphosphido-bis[tricarbonyliron(II)] dichloromethane solvate","","- C31 H22 Cl2 Fe2 O6 P2 -","- C31 H22 Cl2 Fe2 O6 P2 -","- C62 H44 Cl4 Fe4 O12 P4 -","2","0.5","XU6018","María Gabriela Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Di-μ-diphenylphosphido-bis[tricarbonyliron(II)] dichloromethane solvate","Acta Crystallographica Section E","2005","61","8","m1475","m1477","10.1107/S1600536805020982","","","0.71073","MoKα","","0.056","0.044","","","0.128","0.132","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206821","3.61","0.0011","14.11","0.004","10.915","0.003","90","","97.06","0.004","90","","551.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","poly[copper(II)-μ~6~-benzene-1,3,5-tricarboxylato-tri-μ~3~-hydroxo]","","- C9 H6 Cu3 O9 -","- C9 H6 Cu3 O9 -","- C18 H12 Cu6 O18 -","2","0.5","XU6033","Wei, Wen-Ying; Han, Jin-Yu","A polymeric copper(II) complex bridged by benzene-1,3,5-tricarboxylate","Acta Crystallographica Section E","2005","61","9","m1792","m1793","10.1107/S1600536805025687","","","0.71073","MoKα","","0.028","0.023","","","0.062","0.065","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206959","13.1183","0.0005","14.2581","0.0006","13.1854","0.0005","90","","113.563","0.001","90","","2260.59","0.16","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis[hexaaquacadmium(II)] 25,26,27,28-tetrahydroxy-2,8,14,19-tetrathiacalix[4]arene-5,11,17,23- tetrasulfonate monohydrate clathrate","","- C24 H38 Cd2 O29 S8 -","- C24 H38 Cd2 O29 S8 -","- C48 H76 Cd4 O58 S16 -","2","0.5","HB6262","Pu-Zhou Hu; Jian-Ge Wang; Lu-Fang Ma; Li-Ya Wang; Seik Weng Ng","Bis[hexaaquacadmium(II)] 25,26,27,28-tetrahydroxy-2,8,14,19-tetrathiacalix[4]arene-5,11,17,23-tetrasulfonate monohydrate clathrate","Acta Crystallographica Section E","2005","61","10","m1957","m1959","10.1107/S1600536805028151","","","0.71073","MoKα","","0.042","0.041","","","0.129","0.13","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207043","6.8307","0.0006","13.5005","0.0007","7.6421","0.0007","90","","94.888","0.003","90","","702.18","0.1","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","fac-Trichloro(pyrazolato)bis(pyrazole)platinum(IV)","","- C9 H11 Cl3 N6 Pt -","- C9 H11 Cl3 N6 Pt -","- C18 H22 Cl6 N12 Pt2 -","2","0.5","OB6588","Khripun, Anatoly V.; Haukka, Matti; Nikolaeva, Dina N.; Kukushkin, Vadim Yu.","<i>fac</i>-Trichloro(pyrazolato)bis(pyrazole)platinum(IV)","Acta Crystallographica Section E","2005","61","10","m2069","m2071","10.1107/S1600536805029661","","","0.71073","MoKα","","0.0342","0.0307","","","0.0776","0.0808","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207070","8.247","0.001","7.242","0.001","11.414","0.002","90","","99.548","0.003","90","","672.25","0.17","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","butyrophenone derivative","4-tert-Butyl-γ-chlorobutyrophenone","","- C14 H19 Cl O -","- C14 H19 Cl O -","- C28 H38 Cl2 O2 -","2","0.5","SU6230","Anilkumar, H. G.; Vijay, T.; Yathirajan, H. S.; Narasimhamurthy, T.; Rathore, R. S.","4-<i>tert</i>-Butyl-γ-chlorobutyrophenone","Acta Crystallographica Section E","2005","61","10","o3332","o3333","10.1107/S1600536805028771","","","0.71073","MoKα","","0.0977","0.0651","","","0.1278","0.1402","","","","","","1.158","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207135","7.336","0.0003","8.747","0.0004","10.35","0.0003","90","","90.763","0.002","90","","664.08","0.05","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibromo(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)zirconium(IV)","","- C13 H14 Br2 Zr -","- C13 H14 Br2 Zr -","- C26 H28 Br4 Zr2 -","2","0.5","BD6012","Erben, Milan; Císařová, Ivana; Vinklárek, Jaromír; Picka, Michal","Dibromo(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)zirconium(IV)","Acta Crystallographica Section E","2005","61","11","m2424","m2425","10.1107/S1600536805034690","","","0.71073","MoKα","","0.0365","0.0269","","","0.0597","0.0648","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207320","9.7191","0.0014","6.9405","0.0008","35.456","0.004","90","","94.635","0.011","90","","2383.9","0.5","93.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Triaquabis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>^1^)zinc(II) dimethylacetamide trisolvate","","- C42 H75 N3 O12 Zn -","- C42 H67 N3 O12 Zn -","- C84 H134 N6 O24 Zn2 -","2","0.5","OB6583","Makino, Takashi; Mizuguchi, Jin","Triaquabis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>^1^)zinc(II) dimethylacetamide trisolvate","Acta Crystallographica Section E","2005","61","11","m2223","m2225","10.1107/S1600536805029156","","","1.54187","CuKα","","","0.0953","","","","0.2726","","","","","","1.005","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207636","8.7541","0.001","6.8132","0.0005","13.5203","0.0019","90","","100.28","0.013","90","","793.45","0.16","295","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-(4-tert-Butylphenoxy)phthalonitrile","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","0.5","SJ6137","Xin Huang; Fuqun Zhao; Ru-Ji Wang; Fushi Zhang; Chen-Ho, Tung","3-(4-<i>tert</i>-Butylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","12","o4384","o4386","10.1107/S1600536805035725","","","0.71073","MoKα","","0.1143","0.0518","","","0.0937","0.1126","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207661","11.052","0.002","6.721","0.0015","13.204","0.003","90","","114.344","0.003","90","","893.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","N-(3-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxamide dimethylformamide solvate","","- C14 H18 N3 O8 P -","- C14 H18 N3 O8 P -","- C28 H36 N6 O16 P2 -","2","0.5","SU6238","Zang, Hong-Jun; Guo, Ming-Lin; Cheng, Bo-Wen; Ren, Yuan-Lin","<i>N</i>-(3-Nitrophenyl)-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxamide dimethylformamide solvate","Acta Crystallographica Section E","2005","61","12","o4195","o4197","10.1107/S1600536805037311","","","0.71073","MoKα","","0.0704","0.0427","","","0.1093","0.1281","","","","","","1.007","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207673","5.46","0.006","8.496","0.007","7.433","0.006","90","","103.8","0.04","90","","334.9","0.5","100","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Trimethylammonium tetrafluoroborate","","- C3 H10 B F4 N -","- C3 H10 B F4 N -","- C6 H20 B2 F8 N2 -","2","0.5","TK6280","Gotoh, Kazuma; Ishikawa, Rie; Ishida, Hiroyuki","Trimethylammonium tetrafluoroborate at 100K","Acta Crystallographica Section E","2005","61","12","o4016","o4017","10.1107/S1600536805035592","","","0.71073","MoKα","","","0.045","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207712","7.4595","0.0008","13.754","0.001","9.723","0.001","90","","108.914","0.001","90","","943.7","0.16","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dimethyl(1,10-phenanthroline)(pyridine-2,6-dicarboxylato)tin","","- C21 H17 N3 O4 Sn -","- C21 H17 N3 O4 Sn -","- C42 H34 N6 O8 Sn2 -","2","0.5","YA6270","Ji-Kun Li; Ru-Fen Zhang; Chun-Lin Ma","Dimethyl(1,10-phenanthroline)(pyridine-2,6-dicarboxylato)tin(IV)","Acta Crystallographica Section E","2005","61","12","m2694","m2695","10.1107/S1600536805037748","","","0.71073","MoKα","","0.028","0.025","","","0.058","0.059","","","","","","1.053","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207773","8.3633","0.0008","6.62","0.0006","9.7328","0.0011","90","","97.17","0.009","90","","534.64","0.09","100","","100","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","3-tert-butyl-2-hydroxy-5-methylbenzaldehyde","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","DN6289","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-<i>tert</i>-Butyl-2-hydroxy-5-methylbenzaldehyde: a redetermination","Acta Crystallographica Section E","2006","62","1","o282","o283","10.1107/S1600536805041887","","","0.71073","MoKα","","0.0423","0.0392","","","0.107","0.1092","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208061","5.349","0.003","8.023","0.004","6.79","0.003","90","","105.7","0.04","90","","280.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Trimethylammonium bromide","","- C3 H10 Br N -","- C3 H10 Br N -","- C6 H20 Br2 N2 -","2","0.5","FL6208","Hartung, Jens; Kopf, Thomas; Svoboda, Ingrid; Fuess, Hartmut","Trimethylammonium bromide at 100 K","Acta Crystallographica Section E","2006","62","2","o570","o572","10.1107/S1600536805043102","","","0.71073","MoKα","","0.0905","0.048","","","0.0437","0.0503","","","","","","0.889","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208448","5.7605","0.0005","9.2995","0.0007","5.9485","0.0005","90","","118.168","0.002","90","","280.92","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Trisodium dihydroxotetraoxoosmate(VII)","","- H2 Na3 O6 Os -","- H2 Na3 O6 Os -","- H4 Na6 O12 Os2 -","2","0.5","WM6135","Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin","Trisodium dihydroxotetraoxoosmate(VII), Na~3~[OsO~4~(OH)~2~]","Acta Crystallographica Section E","2006","62","3","i52","i54","10.1107/S1600536806005034","","","0.71073","MoKα","","0.0258","0.0235","","","0.0519","0.0528","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208549","7.105","0.002","6.413","0.002","8.19","0.003","90","","96.82","0.03","90","","370.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","5-Methyl-1,2,4-triazolo[1,5-a]pyrimidine-6-carbonitrile","","- C7 H5 N5 -","- C7 H5 N5 -","- C14 H10 N10 -","2","0.5","CI2013","Jan Lokaj; Viktor Kettmann; Svetozár Katuščák; Petra Černuchová; Viktor Milata; Fridrich Gregáň","5-Methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carbonitrile","Acta Crystallographica Section E","2006","62","4","o1252","o1253","10.1107/S1600536806007240","","","0.71073","MoKα","","0.0951","0.0534","","","0.126","0.1472","","","","","","1.035","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208660","5.504","0.004","8.605","0.006","7.58","0.008","90","","103.67","0.04","90","","348.8","0.5","93","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Trimethylammonium perchlorate","","- C3 H10 Cl N O4 -","- C3 H10 Cl N O4 -","- C6 H20 Cl2 N2 O8 -","2","0.5","LH2014","Gotoh, Kazuma; Ishikawa, Rie; Ishida, Hiroyuki","Trimethylammonium perchlorate at 97 K","Acta Crystallographica Section E","2006","62","4","o1321","o1322","10.1107/S1600536806007987","","","0.71075","MoKα","","0.0256","0.0241","","","0.0614","0.0623","","","","","","1.132","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208732","5.3738","0.0014","3.9598","0.001","9.032","0.002","90","","97.258","0.003","90","","190.65","0.08","153","2","153","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","uranium triselenide","uranium trisulfide","","- S3 U -","- S3 U -","- S6 U2 -","2","0.5","SQ3008","Jung-eun Kwak; Danielle L. Gray; Hoseop Yun; James A. Ibers","Uranium trisulfide, US~3~","Acta Crystallographica Section E","2006","62","4","i86","i87","10.1107/S1600536806007409","","","0.71073","MoKα","","0.0314","0.0308","","","0.0842","0.0851","","","","","","1.158","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208740","8.377","0.0013","9.603","0.0015","11.67","0.0018","90","","105.286","0.002","90","","905.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tetraaquadipyridylcobalt(II) acetate","","- C14 H24 Co N2 O8 -","- C14 H24 Co N2 O8 -","- C28 H48 Co2 N4 O16 -","2","0.5","TK2017","Clegg, Jack K.; Hayter, Michael J.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Tetraaquabis(pyridine-κ<i>N</i>)cobalt(II) diacetate","Acta Crystallographica Section E","2006","62","4","m873","m874","10.1107/S1600536806010257","","","0.71073","MoKα","","0.026","0.023","","","0.063","0.065","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209302","8.941","0.001","6.996","0.001","13.491","0.002","90","","97.34","0.01","90","","837","0.2","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Spiro[cyclopropane-1,1'-1H-inden]-2'(3'H)-one'","","- C11 H9 O -","- C11 H9 O -","- C44 H36 O4 -","4","1","SG2026","Mutikainen Ilpo; Yli-Kauhaluoma, Jari; Salakari, Anja","Spiro[cyclopropane-1,1'-1<i>H</i>-inden]-2'(3'<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2415","o2416","10.1107/S1600536806017739","","","0.71073","MoKα","","0.0724","0.051","","","0.1276","0.138","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209984","5.9478","0.0015","7.7276","0.0012","9.428","0.002","90","","104.274","0.009","90","","419.95","0.15","115","","115","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Bromomethyl)trimethylammonium tetrafluoroborate","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","RZ2057","Claville, Michelle O.; Payne, Roosevelt; Fronczek, Frank R.","(Bromomethyl)trimethylammonium tetrafluoroborate","Acta Crystallographica Section E","2006","62","8","o3452","o3454","10.1107/S1600536806027188","","","0.71073","MoKα","","0.037","0.027","","","0.053","0.056","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210039","7.964","0.003","22.94","0.007","11.844","0.004","90","","96.484","0.005","90","","2150","1.3","130","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Trichloro[tris(3-mesitylpyrazol-1-yl)borohydrido]titanium dichloromethane disolvate","","- C38 H44 B Cl7 N6 Ti -","- C38 H44 B Cl7 N6 Ti -","- C76 H88 B2 Cl14 N12 Ti2 -","2","0.5","AC2031","Michiue, Kenji; Steele, Ian; Casagrande, Osvaldo L.; Jordan, Richard F.","Trichloro[tris(3-mesitylpyrazol-1-yl)borohydrido]titanium dichloromethane disolvate","Acta Crystallographica Section E","2006","62","9","m2297","m2298","10.1107/S1600536806032788","","","0.71073","MoKα","","0.0611","0.0454","","","0.115","0.1199","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210107","5.5309","0.0007","8.2737","0.001","7.1","0.0009","90","","103.801","0.001","90","","315.52","0.07","93","2","93","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","trimethylammonium iodide","","- C3 H10 I N -","- C3 H10 I N -","- C6 H20 I2 N2 -","2","0.5","BT2152","Gainsford, Graeme J.; Kemmitt, Tim","Redetermination of trimethylammonium iodide at 93 K","Acta Crystallographica Section E","2006","62","9","o3723","o3724","10.1107/S1600536806030261","","","0.71073","MoKα","","0.0099","0.0098","","","0.0236","0.0237","","","","","","1.227","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210174","5.6325","0.0004","13.8274","0.0011","10.7341","0.0008","90","","99.105","0.001","90","","825.47","0.11","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2,6-Diphenyl-1-propylpiperidine","","- C20 H25 N -","- C20 H25 N -","- C40 H50 N2 -","2","0.5","CI2147","D. Gayathri; D. Velmurugan; K. Ravikumar; E. Poonguzhali; H. Surya Prakash Rao","2,6-Diphenyl-1-propylpiperidine","Acta Crystallographica Section E","2006","62","9","o4169","o4171","10.1107/S1600536806033897","","","0.71073","MoKα","","0.0581","0.0529","","","0.161","0.1686","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210825","9.237","0.002","6.7553","0.0018","9.529","0.003","90","","115.905","0.004","90","","534.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Pyridinium 5-carboxypyrazine-2-carboxylate","","- C11 H9 N3 O4 -","- C11 H9 N3 O4 -","- C22 H18 N6 O8 -","2","0.5","XU2105","Xian-Zhi Guo; Sheng-Min Hao; Bao-Long Zhang","Pyridinium 5-carboxypyrazine-2-carboxylate","Acta Crystallographica Section E","2006","62","10","o4462","o4463","10.1107/S160053680603039X","","","0.71073","MoKα","","0.046","0.036","","","0.1","0.109","","","","","","1.083","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211340","5.245","0.004","11.744","0.007","13.03","0.007","90","","94.45","0.03","90","","800.2","0.9","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H20 Cl Co N2 O11 -","- C7 H19 Cl Co N2 O11 -","- C14 H38 Cl2 Co2 N4 O22 -","2","0.5","CI2219","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","<i>catena</i>-Poly[[[tetraaquacobalt(III)]-μ-1<i>H</i>-imidazole-1,3-diyldiacetato-κ^2^<i>O</i>:<i>O</i>'] chloride hydroxide dihydrate]","Acta Crystallographica Section E","2006","62","12","m3418","m3419","10.1107/S1600536806047982","","","0.71073","MoKα","","0.089","0.072","","","0.192","0.201","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211537","9.8024","0.0007","6.5184","0.0004","19.8144","0.0013","90","","100.65","0.002","90","","1244.25","0.14","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","poly[hexa-μ~2~-oxo-tetraoxobis(1,10-phenanthroline)tetravanadium(V)]","","- C24 H16 N4 O10 V4 -","- C24 H16 N4 O10 V4 -","- C48 H32 N8 O20 V8 -","2","0.5","NG2140","Li, Tao-Hai; Cao, Rong","Redetermination of poly[hexa-μ~2~-oxo-tetraoxobis(1,10-phenanthroline)tetravanadium(V)]","Acta Crystallographica Section E","2006","62","12","m3236","m3237","10.1107/S1600536806045867","","","0.71073","MoKα","","0.0357","0.0302","","","0.0774","0.081","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211615","7.275","0.004","13.97","0.005","11.794","0.005","90","","92.78","0.02","90","","1197.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly[[[aqua(pyrazino[2,3-f][1,10]phenanthroline- κ^2^N,N')copper(II)]-μ-terephthalato-κ^2^O:O'] N,N-dimethylformamide monohydrate]","","- C25 H23 Cu N5 O7 -","- C25 H23 Cu N5 O7 -","- C50 H46 Cu2 N10 O14 -","2","0.5","SJ2147","Guang-Bo Che; Zhan-Lin Xu; Ng, Seik Weng","<i>catena</i>-Poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] <i>N</i>,<i>N</i>-dimethylformamide monohydrate]","Acta Crystallographica Section E","2006","62","12","m3194","m3196","10.1107/S1600536806044928","","","0.71073","MoKα","","0.066","0.05","","","0.134","0.144","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211642","6.4213","0.0013","23","0.005","7.407","0.0015","90","","96.11","0.03","90","","1087.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Heptaaquabis(4-formylbenzoateto-κO)barium(II)","","- C16 H24 Ba O13 -","- C16 H24 Ba O13 -","- C32 H48 Ba2 O26 -","2","0.5","TK2097","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Heptaaquabis(4-formylbenzoato-κ<i>O</i>)barium(II)","Acta Crystallographica Section E","2006","62","12","m3230","m3232","10.1107/S1600536806046216","","","0.71073","MoKα","","0.02","0.018","","","0.042","0.043","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212053","3.6392","0.0005","14.446","0.002","8.859","0.001","90","","98.876","0.001","90","","460.16","0.1","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sodium 3,5-dinitropyridin-4-olate dihydrate","","- C5 H6 N3 Na O7 -","- C5 H6 N3 Na O7 -","- C10 H12 N6 Na2 O14 -","2","0.5","BT2232","Fan, Rong; Li, Dong-Dong; She, Jiang-Bo; Zhang, Guo-Fang; Ng, Seik Weng","Sodium 3,5-dinitropyridin-4-olate dihydrate","Acta Crystallographica Section E","2007","63","2","m321","m322","10.1107/S1600536806055590","","","0.71073","MoKα","","0.049","0.044","","","0.127","0.132","","","","","","1.1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212153","5.4995","0.0012","18.842","0.005","3.6943","0.0011","90","","94.83","0.02","90","","381.45","0.17","297","2","297","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","guanidinium hydrogen fumarate","guanidinium hydrogen fumarate","","- C5 H9 N3 O4 -","- C5 H9 N3 O4 -","- C10 H18 N6 O8 -","2","0.5","FL2081","Graham Smith; Urs D. Wermuth; David J. Young; Peter C. Healy","Anhydrous guanidinium hydrogen fumarate: a two-dimensional hydrogen-bonded network structure","Acta Crystallographica Section E","2007","63","2","o556","o557","10.1107/S1600536806056042","","","0.71073","MoKα","","0.0655","0.0403","","","0.1228","0.1431","","","","","","0.938","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212224","8.438","0.006","6.048","0.002","8.774","0.005","90","","101.29","0.03","90","","439.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","3-Carboxylpyridinium oxalate","3-carboxypyridinium oxalate","","- C8 H7 N O6 -","- C8 H7 N O6 -","- C16 H14 N2 O12 -","2","0.5","HG2170","S. Athimoolam; S. Natarajan","3-Carboxypyridinium hydrogen oxalate","Acta Crystallographica Section E","2007","63","2","o963","o965","10.1107/S1600536807003200","","","0.71073","MoKα","","0.0463","0.0375","","","0.1007","0.108","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212266","7.109","0.004","3.732","0.002","14.073","0.007","90","","101.381","0.006","90","","366","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Poly[[(isonicotinic acid-κN)copper(I)]-μ~3~-chloro]","","- C6 H5 Cl Cu N O2 -","- C6 H5 Cl Cu N O2 -","- C12 H10 Cl2 Cu2 N2 O4 -","2","0.5","KP2058","Qi Chen; Wenjun Feng; Xuefang Zheng; Yan Xu","Poly[[(isonicotinic acid-κ<i>N</i>)copper(I)]-μ~3~-chloro]","Acta Crystallographica Section E","2007","63","2","m367","m368","10.1107/S1600536806055267","","","0.71073","MoKα","","0.0523","0.038","","","0.1051","0.1119","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212299","7.207","0.003","18.974","0.008","11.834","0.007","90","","95.6","0.02","90","","1610.5","1.3","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Triniobium decaselenide trichloride","","- Cl3 Nb3 Se10 -","- Cl3 Nb3 Se10 -","- Cl12 Nb12 Se40 -","4","1","MG2013","Jung-Eun Kwak; Song-I Hahn; Hoseop Yun","A new pseudo-two-dimensional niobium chloride selenide, Nb~3~Se~10~Cl~3~","Acta Crystallographica Section E","2007","63","2","i27","i29","10.1107/S1600536806056364","","","0.71073","MoKα","","","0.0546","","","","0.1409","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212540","8.515","0.0007","6.6964","0.0005","19.2756","0.0018","90","","102.73","0.01","90","","1072.08","0.16","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4,4'-Di-tert-butyl-2,2'-bipyridine‒hexafluorobenzene (1/1)","","- C24 H24 F6 N2 -","- C24 H24 F6 N2 -","- C48 H48 F12 N4 -","2","0.5","FB2037","Batsanov, Andrei S.; Mkhalid, Ibraheem A. I.; Marder, Todd B.","4,4'-Di-<i>tert</i>-butyl-2,2'-bipyridine‒hexafluorobenzene (1/1)","Acta Crystallographica Section E","2007","63","3","o1196","o1198","10.1107/S160053680700445X","","","0.71073","MoKα","","0.0576","0.0446","","","0.1271","0.1378","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213585","9.92","0.004","6.582","0.003","9.998","0.004","90","","118.929","0.006","90","","571.3","0.4","297","2","297","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,3-Dimethylquinoxalinium dibromide","","- C10 H12 Br2 N2 -","- C10 H12 Br2 N2 -","- C20 H24 Br4 N4 -","2","0.5","SU2013","Al-Far, Rawhi; Ali, Basem Fares","2,3-Dimethylquinoxalinium dibromide","Acta Crystallographica Section E","2007","63","5","o2530","o2532","10.1107/S1600536807018247","","","0.71073","MoKα","","0.0838","0.0692","","","0.1852","0.191","","","","","","1.125","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213819","6.1301","0.0012","34.541","0.007","9.4459","0.0019","90","","104.52","0.03","90","","1936.2","0.7","291","2","291","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4-[(3,5-Diphenyl-1H-pyrazol-4-yl)methyl]benzonitrile ethanol hemisolvate","","- C24 H20 N3 O0.5 -","- C24 H20 N3 O0.5 -","- C96 H80 N12 O2 -","4","1","HG2234","Mei Yu","4-[(3,5-Diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]benzonitrile ethanol hemisolvate","Acta Crystallographica Section E","2007","63","6","o2863","o2863","10.1107/S1600536807021812","","","0.71073","MoKα","","0.0894","0.0788","","","0.2038","0.2135","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213834","6.6591","0.0013","14.352","0.003","6.8583","0.0014","90","","90.92","0.03","90","","655.4","0.2","294","2","294","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[DMepyrazineH2].FeBr4","Dimethylpyrazinium tetrabromidoferrate(II)","","- C6 H10 Br4 Fe N2 -","- C6 H10 Br4 Fe N2 -","- C12 H20 Br8 Fe2 N4 -","2","0.5","HK2247","Al-Far, Rawhi; Ali, Basem Fares","Dimethylpyrazinium tetrabromidoferrate(II): Br···aryl···Br and Br···Br intermolecular interactions","Acta Crystallographica Section E","2007","63","6","m1701","m1701","10.1107/S1600536807023070","","","0.71073","MoKα","","0.0669","0.0435","","","0.1002","0.1127","","","","","","0.967","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213863","5.0019","0.0004","23.3653","0.0017","5.7871","0.0005","90","","110.151","0.003","90","","634.94","0.09","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4,4'-Sulfonyldibenzoic acid","","- C14 H10 O6 S -","- C14 H10 O6 S -","- C28 H20 O12 S2 -","2","0.5","KP2097","Lian, Fen-Yan; Yuan, Da-Qiang; Jiang, Fei-Long; Hong, Mao-Chun","4,4'-Sulfonyldibenzoic acid","Acta Crystallographica Section E","2007","63","6","o2870","o2870","10.1107/S1600536807021216","","","0.71073","MoKα","","0.0488","0.0405","","","0.0984","0.1044","","","","","","1.128","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213989","6.5702","0.0004","5.4749","0.0003","4.455","0.0003","90","","107.419","0.004","90","","152.903","0.017","295","","295","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Strontium trioxoselenate(IV)","","- O3 Se Sr -","- O3 Se Sr -","- O6 Se2 Sr2 -","2","0.5","WM2114","Oleg A. Dityatiev; Philip Lightfoot; Petr S. Berdonosov; Valery A. Dolgikh","SrSeO~3~ from a combined X-ray and neutron powder diffraction study","Acta Crystallographica Section E","2007","63","6","i149","i150","10.1107/S1600536807025135","","neutron","1.59432","neutron","","","","","","","","","","0.65","","","","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2214052","6.1055","0.0005","7.6413","0.0006","11.6547","0.0009","90","","101.22","0.002","90","","533.35","0.07","291","2","291","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Triaqua(5-methyl-1H-tetrazolato-κN^1^)zinc(II) perchlorate","","- C2 H9 Cl N4 O7 Zn -","- C2 H9 Cl N4 O7 Zn -","- C4 H18 Cl2 N8 O14 Zn2 -","2","0.5","BH2109","Fu, Dai-Wei; Zhao, Hong","Triaqua(5-methyl-1<i>H</i>-tetrazolato-κ<i>N</i>^1^)zinc(II) perchlorate","Acta Crystallographica Section E","2007","63","7","m1955","m1955","10.1107/S1600536807029297","","","0.71073","MoKα","","0.056","0.0486","","","0.1116","0.1139","","","","","","1.097","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214289","5.0007","0.0008","10.3776","0.0017","8.2345","0.0014","90","","100.535","0.017","90","","420.13","0.12","294","1","294","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,6-Diaminopyridinium perchlorate","","- C5 H8 Cl N3 O4 -","- C5 H8 Cl N3 O4 -","- C10 H16 Cl2 N6 O8 -","2","0.5","KP2115","Jazdoń, Monika; Radecka-Paryzek, Wanda; Kubicki, Maciej","2,6-Diaminopyridinium perchlorate","Acta Crystallographica Section E","2007","63","7","o3337","o3337","10.1107/S1600536807031042","","","0.71073","MoKα","","0.0695","0.0436","","","0.0891","0.0973","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2214723","6.747","0.002","14.6689","0.0007","6.9651","0.0007","90","","90.01","0.01","90","","689.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","(DiMepyH2).TlBr4(III)","2,5-dimethylpyrazinium tetrabromidothallate(III)","","- C6 H10 Br4 N2 Tl -","- C6 H10 Br4 N2 Tl -","- C12 H20 Br8 N4 Tl2 -","2","0.5","HK2276","Al-Far, Rawhi; Ali, Basem Fares","Intermolecular interactions in 2,5-dimethylpyrazinium tetrabromidothallate(III)","Acta Crystallographica Section E","2007","63","8","m2242","m2243","10.1107/S1600536807036513","","","0.71073","MoKα","","0.0343","0.0264","","","0.0476","0.0488","","","","","","0.864","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214751","6.1688","0.0006","6.813","0.001","9.804","0.001","90","","97.236","0.008","90","","408.76","0.08","303","2","303","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Potassium 4-chloro-benzenesulfonate","poly[μ~4~-4-chlorobenzenesulfonato-potassium(I)]","","- C6 H4 Cl K O3 S -","- C6 H4 Cl K O3 S -","- C12 H8 Cl2 K2 O6 S2 -","2","0.5","IM2021","B. Thimme Gowda; K. S. Babitha; Ingrid Svoboda; Hartmut Fuess","Potassium 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2007","63","8","m2222","m2222","10.1107/S1600536807035830","","","0.71073","MoKα","","0.0435","0.0366","","","0.0938","0.0984","","","","","","1.091","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2215049","7.8866","0.0013","9.5474","0.0016","10.2881","0.0016","90","","97.28","0.002","90","","768.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(2-Bromo-1-phenylethyl)-4-methylbenzenesulfonamide","","- C15 H16 Br N O2 S -","- C15 H16 Br N O2 S -","- C30 H32 Br2 N2 O4 S2 -","2","0.5","CI2421","Yue Meng; Guang-Xiang Zhong; Wei-Xiao Hu","<i>N</i>-(2-Bromo-1-phenylethyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2007","63","9","o3744","o3744","10.1107/S1600536807038445","","","0.71073","MoKα","","0.0688","0.0374","","","0.0849","0.0975","","","","","","0.986","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216321","8.5316","0.001","7.3356","0.0007","11.118","0.0013","90","","101.006","0.003","90","","683.02","0.13","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Dimethylgold(III) N-phenylsalicylaldiminate","Dimethyl[2-(phenyliminomethyl)phenolato-κ^2^N,O]gold(III)","","- C15 H16 Au N O -","- C15 H16 Au N O -","- C30 H32 Au2 N2 O2 -","2","0.5","BT2619","Bessonov, Alexander A.; Smolentsev, Anton I.; Baidina, Iraida A.; Morozova, Natalia B.","Dimethyl[2-(phenyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]gold(III)","Acta Crystallographica Section E","2007","63","12","m3154","m3154","10.1107/S1600536807060709","","","0.71073","MoKα","","0.0138","0.0122","","","0.0271","0.0273","","","","","","1.111","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217959","7.463","0.007","6.761","0.006","8.748","0.008","90","","103.78","0.03","90","","428.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C8 H7 N O3 S -","- C8 H7 N O3 S -","- C16 H14 N2 O6 S2 -","2","0.5","LH2597","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Parvez, Masood","2-Methyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section E","2008","64","4","o724","","10.1107/S1600536808004637","","","0.71073","MoKα","","0.051","0.0408","","","0.0999","0.1063","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218560","11.9955","0.0005","14.0628","0.001","12.8907","0.0011","90","","95.638","0.003","90","","2164","0.3","93","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis[hexaaquacobalt(II)] 25,26,27,28-tetrahydroxy-2,8,14,19- tetrathiacalix[4]arene-5,11,17,23-tetrasulfonate monohydrate","","- C24 H38 Co2 O29 S8 -","- C24 H36 Co2 O29 S8 -","- C48 H72 Co4 O58 S16 -","2","0.5","WM2177","Akashi, Haruo; Ichikawa, Misato","Bis[hexaaquacobalt(II)] 25,26,27,28-tetrahydroxy-2,8,14,19-tetrathiacalix[4]arene-5,11,17,23-tetrasulfonate monohydrate","Acta Crystallographica Section E","2008","64","6","m797","m798","10.1107/S1600536808011781","","","0.71069","MoKα","","","0.044","","","","0.1438","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2218677","5.1928","0.0017","12.972","0.004","10.492","0.003","90","","93.588","0.006","90","","705.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly[[dichloridonickel(II)]-μ-1,3-di-4-pyridylpropane]","","- C13 H14 Cl2 N2 Ni -","- C13 H14 Cl2 N2 Ni -","- C26 H28 Cl4 N4 Ni2 -","2","0.5","DN2360","Zhou, Chun-Sheng; Zhang, Guo-Chun","<i>catena</i>-Poly[[dichloridonickel(II)]-μ-1,3-di-4-pyridylpropane]","Acta Crystallographica Section E","2008","64","7","m966","","10.1107/S1600536808018862","","","0.71073","MoKα","","0.0734","0.0383","","","0.0627","0.067","","","","","","0.868","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218685","8.7444","0.0007","6.8365","0.0007","10.7113","0.0008","90","","96.195","0.005","90","","636.59","0.1","298","1","298","1","101","2","","","","","","4","P 1 21/m 1","-P 2yb","11","","Trimesic acid dimethyl sulfoxide solvate","","- C11 H12 O7 S -","- C11 H12 O7 S -","- C22 H24 O14 S2 -","2","0.5","FB2098","Bernès, Sylvain; Hernández, Guadalupe; Portillo, Roberto; Gutiérrez, René","Trimesic acid dimethyl sulfoxide solvate: space group revision","Acta Crystallographica Section E","2008","64","7","o1366","","10.1107/S1600536808018655","","","0.71073","MoKα","","0.0411","0.037","","","0.1079","0.1121","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218875","5.1899","0.001","12.989","0.003","10.49","0.002","90","","93.58","0.03","90","","705.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[dichloridocobalt(II)]-μ-1,3-di-4-pyridylpropane- κ^2^<i>N</i>:<i>N</i>']","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.5","BG2192","Xu, Wei; Lin, Jian-Li","<i>catena</i>-Poly[[dichloridocobalt(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2008","64","8","m1025","","10.1107/S1600536808020862","","","0.71073","MoKα","","0.0627","0.0434","","","0.0906","0.0984","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219267","7.874","0.002","7.413","0.001","10.596","0.002","90","","108.332","0.003","90","","587.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Quinoxalin-2-yl <i>o</i>-tolyl ether","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C30 H24 N4 O2 -","2","0.5","BT2769","Hassan, Nor Duha; Tajuddin, Hairul Anuar; Abdullah, Zanariah; Ng, Seik Weng","Quinoxalin-2-yl <i>o</i>-tolyl ether","Acta Crystallographica Section E","2008","64","9","o1821","","10.1107/S1600536808026810","","","0.71073","MoKα","","0.089","0.0651","","","0.1626","0.1833","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219349","6.788","0.0009","14.227","0.0019","14.133","0.0019","90","","97.151","0.002","90","","1354.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')gold(III) tetrachloroaurate(III) acetonitrile solvate","","- C20 H27 Au2 Cl6 N3 -","- C20 H27 Au2 Cl6 N3 -","- C40 H54 Au4 Cl12 N6 -","2","0.5","HB2776","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Safari, Nasser; Amani, Vahid; McKee, Vickie; Abedi, Anita; Khavasi, Hamid Reza","Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')gold(III) tetrachloridoaurate(III) acetonitrile solvate","Acta Crystallographica Section E","2008","64","9","m1189","m1190","10.1107/S1600536808025646","","","0.71069","MoKα","","0.0572","0.0357","","","0.0714","0.0789","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219519","6.1235","0.0006","7.5473","0.0005","10.1081","0.0006","90","","105.23","0.001","90","","450.75","0.06","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[cadmium(II)-μ-benzene-1,2-diamine-κ^2^N:N'-di-μ-chlorido]","","- C6 H8 Cd Cl2 N2 -","- C6 H8 Cd Cl2 N2 -","- C12 H16 Cd2 Cl4 N4 -","2","0.5","BX2174","Liang, Wen-Xian; Qu, Zhi-Rong","<i>catena</i>-Poly[cadmium(II)-μ-benzene-1,2-diamine-κ^2^<i>N</i>:<i>N</i>'-di-μ-chlorido]","Acta Crystallographica Section E","2008","64","10","m1254","","10.1107/S1600536808027980","","","0.71073","MoKα","","0.0203","0.0176","","","0.039","0.0398","","","","","","1.223","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220504","7.7767","0.001","7.337","0.001","8.6468","0.0012","90","","99.414","0.002","90","","486.72","0.11","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(3-Methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C20 H20 N4 O6 -","2","0.5","HB2868","Lei, Dongwei; Yang, Huibin; Li, Bin; Kang, Zhuo","2-(3-Methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2009","65","1","o54","","10.1107/S1600536808040920","","","0.71073","MoKα","","0.0409","0.037","","","0.104","0.1103","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220657","8.7938","0.0014","3.3638","0.0005","9.9565","0.0016","90","","115.193","0.003","90","","266.5","0.07","150","1","150","1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Chromium Niobium Sulfide","","- Cr0.7 Nb1.3 S5 -","- Cr0.7 Nb1.3 S5 -","- Cr1.4 Nb2.6 S10 -","2","0.5","WM2207","Yun, Hoseop; Kim, Gangbeom","Nb~1.30~Cr~0.70~S~5~: a layered ternary mixed-metal sulfide","Acta Crystallographica Section E","2009","65","1","i1","","10.1107/S1600536808041585","","","0.71073","MoKα","","0.0574","0.0476","","","","0.0785","","","","","","1.181","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220699","7.382","0.003","6.357","0.002","9.374","0.003","90","","96.239","0.01","90","","437.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1-Amino cyclohexane carboxilic acid hydrochloride","1-carboxycyclohexan-1-aminium chloride","","- C7 H14 Cl N O2 -","- C7 H14 Cl N O2 -","- C14 H28 Cl2 N2 O4 -","2","0.5","BH2212","Belandria, Lusbely M.; Delgado, Gerzon E.; Mora, Asiloé J.; Seijas, Luis E.; González, Teresa","Redetermination of 1-carboxycyclohexan-1-aminium chloride","Acta Crystallographica Section E","2009","65","2","o245","","10.1107/S1600536808044243","","","0.7107","MoKα","","0.0348","0.0328","","","0.0855","0.0875","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220749","5.7459","0.0016","8.543","0.002","8.816","0.002","90","","98.208","0.004","90","","428.32","0.18","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Perhydrobenzimidazole-2-thione","","- C7 H12 N2 S -","- C7 H12 N2 S -","- C14 H24 N4 S2 -","2","0.5","CV2499","Liu, YingChun; Li, XiaoYu","Perhydrobenzimidazole-2-thione","Acta Crystallographica Section E","2009","65","2","o248","","10.1107/S1600536808043894","","","0.71073","MoKα","","0.0558","0.0471","","","0.1448","0.1542","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221347","11.9228","0.0007","23.2806","0.0015","12.232","0.0007","90","","117.005","0.003","90","","3025","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","7,11,15,28-Tetrakis[(2-formylphenoxy)methyl]-1,21,23,25- tetramethylresorcin[4]arene cavitand","7,11,15,28-Tetrakis[(2-formylphenoxy)methylene]-1,21,23,25-tetramethylpentyl- 2,20:3,19-dimetheno-1<i>H</i>,21<i>H</i>,23<i>H</i>,25<i>H</i>- bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxocin stereoisomer","","- C68 H56 O16 -","- C68 H56 O16 -","- C136 H112 O32 -","2","0.5","FL2233","Mc Kay, Michael G.; Friedrich, Holger B.; Howie, R. Alan; Maguire, Glenn E. M.","7,11,15,28-Tetrakis[(2-formylphenoxy)methyl]-1,21,23,25-tetramethylresorcin[4]arene cavitand ethyl acetate clathrate at 173 K","Acta Crystallographica Section E","2009","65","4","o692","o693","10.1107/S1600536809007582","","","0.71073","MoKα","","0.0993","0.0739","","","0.2169","0.2302","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221391","4.915","0.001","8.559","0.0017","8.292","0.0017","90","","91.76","0.03","90","","348.66","0.12","294","2","294","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1<i>H</i>-Benzimidazole-2(3<i>H</i>)-thione","","- C7 H6 N2 S -","- C7 H6 N2 S -","- C14 H12 N4 S2 -","2","0.5","HK2638","Wang, De-Cai; Mi, Shan; Xu, Wei; Jiang, Liang; Huang, Xin-Ming","1<i>H</i>-Benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2009","65","4","o756","","10.1107/S1600536809008058","","","0.71073","MoKα","","0.0619","0.0486","","","0.1393","0.1519","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222247","9.6496","0.0002","8.5073","0.0002","6.6712","0.0002","90","","100.621","0.001","90","","538.27","0.02","295","","300","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","yttrium holmium iron digermanate","","- Fe Ge2 Ho0.24 O7 Y0.76 -","- Fe Ge2 Ho0.24 O7 Y0.76 -","- Fe4 Ge8 Ho0.96 O28 Y3.04 -","4","1","BR2109","Rosales, Ivonne; Chavira, Elizabeth; Orozco, Eligio; Bucio, Lauro","Y~0.76~Ho~0.24~FeGe~2~O~7~: a new member of thortveitite-like layered compounds","Acta Crystallographica Section E","2009","65","7","i49","i50","10.1107/S1600536809020467","powder diffraction","","1.54175","CuKα","","","","","","","","","","1.53","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2222480","6.1968","0.0001","19.2499","0.0003","7.6354","0.0001","90","","106.982","0.001","90","","871.1","0.02","140","2","140","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Tripotassium bis(acetato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)plumbate(II) dithiocyanate","","- C7 H6 K3 N3 O4 Pb S3 -","- C7 H6 K3 N3 O4 Pb S3 -","- C14 H12 K6 N6 O8 Pb2 S6 -","2","0.5","TK2472","Ng, Seik Weng","Tripotassium bis(acetato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)plumbate(II) dithiocyanate","Acta Crystallographica Section E","2009","65","7","m755","","10.1107/S1600536809021370","","","0.71073","MoKα","","0.023","0.022","","","0.056","0.056","","","","","","1.16","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222596","6.4976","0.0006","11.416","0.001","8.0161","0.0008","90","","103.38","0.01","90","","578.47","0.1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ethylenediammonium tetrabromidomercurate(II) monohydrate","","- C2 H12 Br4 Hg N2 O -","- C2 H12 Br4 Hg N2 O -","- C4 H24 Br8 Hg2 N4 O2 -","2","0.5","BT5004","Gowda, B. Thimme; Foro, Sabine; Terao, Hiromitsu; Fuess, Hartmut","Ethylenediammonium tetrabromidomercurate(II) monohydrate","Acta Crystallographica Section E","2009","65","8","m946","","10.1107/S160053680902772X","","","0.71073","MoKα","","0.0262","0.0243","","","0.0612","0.0618","","","","","","1.114","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222666","7.521","0.002","6.33","0.002","10.16","0.002","90","","100.03","0.02","90","","476.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","calcium triiron(III) tris(phosphate) oxide","","- Ca Fe3 O13 P3 -","- Ca Fe3 O13 P3 -","- Ca2 Fe6 O26 P6 -","2","0.5","ER2067","Hidouri, Mourad; Ben Amara, Mongi","The iron phosphate CaFe~3~(PO~4~)~3~O","Acta Crystallographica Section E","2009","65","8","i66","","10.1107/S160053680902827X","","","0.71073","MoKα","","0.0323","0.0306","","","0.0862","0.0875","","","","","","1.119","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2222846","6.9526","0.0011","6.434","0.001","7.7432","0.0012","90","","95.316","0.001","90","","344.89","0.09","173","2","173","2","101","","","","","","","4","P 1 21/m 1","-P 2yb","11","'4-hydrazinyl-pyridine HCl","4-Hydrazinopyridinium chloride","","- C5 H8 Cl N3 -","- C5 H8 Cl N3 -","- C10 H16 Cl2 N6 -","2","0.5","PV2178","Boeré, René T.; Hassan, Mohammad R.","4-Hydrazinopyridinium chloride","Acta Crystallographica Section E","2009","65","8","o1833","","10.1107/S1600536809026348","","","0.71073","MoKα","","0.0223","0.0219","","","0.06","0.0603","","","","","","1.133","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222869","4.731","0.0005","11.3861","0.0012","11.8419","0.0015","90","","93.672","0.001","90","","636.59","0.12","298","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3,3'-Dimethyl-1,1'-methylenediimidazolium dibromide","","- C9 H14 Br2 N4 -","- C9 H14 Br2 N4 -","- C18 H28 Br4 N8 -","2","0.5","RZ2350","Liu, Jie; Wei, Xilian; Wei, Zengbin; Liu, Jiuqiang; Zheng, Liqiang","3,3'-Dimethyl-1,1'-methylenediimidazolium dibromide","Acta Crystallographica Section E","2009","65","8","o2027","","10.1107/S1600536809028967","","","0.71073","MoKα","","0.0397","0.0277","","","0.0634","0.0661","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223094","14.3179","0.0008","20.2299","0.001","16.7625","0.001","90","","101.266","0.003","90","","4761.7","0.5","100","2","100","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Octakis[2,2',5,5'-tetrathiafulvalenium(0.5+)] bis[hexamolybdate(2-)] acetonitrile solvate","","- C50 H35 Mo12 N O38 S32 -","- C50 H35 Mo12 N O38 S32 -","- C100 H70 Mo24 N2 O76 S64 -","2","0.5","HG2545","Zebiri, Ikram; Anak, Berkahoum; Djebli, Yacine; Boufas, Sihem; Bencharif, Leïla","Octakis[2,2',5,5'-tetrathiafulvalenium(0.5+)] bis[hexamolybdate(2{-})] acetonitrile solvate","Acta Crystallographica Section E","2009","65","9","m1063","m1064","10.1107/S1600536809031092","","","0.71073","MoKα","","0.0615","0.0356","","","0.0652","0.0732","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223405","7.6957","0.0015","11.266","0.002","8.1431","0.0016","90","","110.61","0.03","90","","660.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dichlorido(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C12 H12 Cl2 N2 Zn -","- C12 H12 Cl2 N2 Zn -","- C24 H24 Cl4 N4 Zn2 -","2","0.5","HB5106","Alizadeh, Robabeh; Kalateh, Khadijeh; Ebadi, Amin; Ahmadi, Roya; Amani, Vahid","Dichlorido(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2009","65","10","m1250","","10.1107/S1600536809038215","","","0.71073","MoKα","","0.0365","0.0338","","","0.0953","0.1007","","","","","","1.261","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2223515","4.385","0.002","15.455","0.003","10.935","0.002","90","","97.65","0.02","90","","734.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Catena-(u2-(1,3-bis(4-pyridyl))propane)-bis(u2-chloro)-lead(II)","\ <i>catena</i>-Poly[[μ~2~-<i>N</i>,<i>N</i>'-1,3-bis(4-pyridyl)propane]\ bis(μ~2~-chlorido)]lead(II)","","- C13 H14 Cl2 N2 Pb -","- C13 H14 Cl2 N2 Pb -","- C26 H28 Cl4 N4 Pb2 -","2","0.5","PB2006","Fu, Zhiyong; Su, Dongpo; Song, Desheng","Poly[di-μ~2~-chlorido(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')lead(II)]","Acta Crystallographica Section E","2009","65","10","m1220","","10.1107/S1600536809036150","","","0.71073","MoKα","","0.0424","0.0329","","","0.073","0.0772","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2223662","15.615","0.003","6.7153","0.0016","16.803","0.004","90","","114.452","0.004","90","","1603.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(3,5-Dimethylpyrazol-1-yl)[5-(3,5-dimethylpyrazol-1-ylcarbonyl)-2- thienyl]methanone","","- C16 H16 N4 O2 S -","- C16 H16 N4 O2 S -","- C64 H64 N16 O8 S4 -","4","1","BV2130","Guzei, Ilia A.; Spencer, Lara C.; Tshivashe, Mmboneni G.; Darkwa, James","(3,5-Dimethylpyrazol-1-yl)[5-(3,5-dimethylpyrazol-1-ylcarbonyl)-2-thienyl]methanone","Acta Crystallographica Section E","2009","65","11","o2743","","10.1107/S1600536809040756","","","0.71073","MoKα","","0.0486","0.0392","","","0.1053","0.1117","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224242","7.3897","0.0003","7.0999","0.0004","10.3399","0.0005","90","","107.535","0.002","90","","517.29","0.04","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","3-Cyclohexyl-2-thioxo-1,3-thiazolidin-4-one","","- C9 H13 N O S2 -","- C9 H13 N O S2 -","- C18 H26 N2 O2 S4 -","2","0.5","HB5207","Shahwar, Durre; Tahir, M. Nawaz; Yasmeen, Asma; Ahmad, Naeem; Khan, Muhammad Akmal","3-Cyclohexyl-2-thioxo-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2009","65","12","o3015","","10.1107/S1600536809045851","","","0.71073","MoKα","","0.0405","0.0344","","","0.0906","0.0962","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224580","7.5794","0.0008","6.9736","0.0006","8.6879","0.0012","90","","102.027","0.001","90","","449.13","0.09","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[[(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato)sodium]di- μ-aqua-κ^4^O:O]","","- C3 H7 N2 Na O2 S3 -","- C3 H7 N2 Na O2 S3 -","- C6 H14 N4 Na2 O4 S6 -","2","0.5","CI2968","Zhang, Jun-Hong; Ma, Chun-Lin; Zhang, Ru-Fen; Wang, Hai-Zeng; Fu, Guo-Jia","<i>catena</i>-Poly[[(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato)sodium]di-μ-aqua-κ^4^<i>O</i>:<i>O</i>]","Acta Crystallographica Section E","2010","66","1","m15","","10.1107/S1600536809051721","","","0.71073","MoKα","","0.0309","0.0237","","","0.0568","0.0639","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224965","9.6726","0.0003","7.5911","0.0002","13.6484","0.0004","90","","107.247","0.001","90","","957.08","0.05","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[<i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)pentane-2,4- diiminato]dicarbonylrhodium(I)","","- C19 H15 Cl2 N2 O2 Rh -","- C19 H15 Cl2 N2 O2 Rh -","- C38 H30 Cl4 N4 O4 Rh2 -","2","0.5","GW2073","Hill, T. N.; Steyl, G.","[<i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)pentane-2,4-diiminato]dicarbonylrhodium(I)","Acta Crystallographica Section E","2010","66","2","m205","","10.1107/S1600536810000449","","","0.71073","MoKα","","","0.0172","","","","0.0504","","","","","","0.928","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224988","6.0231","0.0001","9.1097","0.0002","7.9852","0.0002","90","","100.7","0.001","90","","430.519","0.016","100","0.1","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","4-(Methylsulfonyl)piperazin-1-ium chloride","","- C5 H13 Cl N2 O2 S -","- C5 H13 Cl N2 O2 S -","- C10 H26 Cl2 N4 O4 S2 -","2","0.5","HB5306","Fun, Hoong-Kun; Yeap, Chin Sing; Chidan Kumar, C. S.; Yathirajan, H. S.; Narayana, B.","4-(Methylsulfonyl)piperazin-1-ium chloride","Acta Crystallographica Section E","2010","66","2","o361","o362","10.1107/S1600536810001224","","","0.71073","MoKα","","0.0283","0.0228","","","0.0683","0.0715","","","","","","1.097","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225106","5.864","0.0012","18.51","0.004","6.3993","0.0013","90","","104.42","0.03","90","","672.7","0.3","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Poly[(μ~2~-3,6-di-4-pyridyl-1,2,4,5-tetrazine)(μ~2~-thiocyanato)copper(I)]","","- C13 H8 Cu N7 S -","- C13 H8 Cu N7 S -","- C26 H16 Cu2 N14 S2 -","2","0.5","SI2230","Wu, Yiming; Meng, Qinglong; Zhang, Chi","Poly[(μ~2~-3,6-di-4-pyridyl-1,2,4,5-tetrazine)(μ~2~-thiocyanato)copper(I)]","Acta Crystallographica Section E","2010","66","2","m217","","10.1107/S1600536810001431","","","0.71073","MoKα","","0.0348","0.0327","","","0.0679","0.0691","","","","","","1.108","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225401","8.2595","0.0004","17.3531","0.0008","9.9267","0.0004","90","","103.231","0.001","90","","1385.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[[aquasilver(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')] 4-aminobenzoate nitrate hydrate]","","- C27 H28 Ag2 N6 O8 -","- C27 H28 Ag2 N6 O8 -","- C54 H56 Ag4 N12 O16 -","2","0.5","WM2305","Zhang, Yong-Mei; Hou, Dong-Yan; Xin, Guang; Li, Tie-Chun","<i>catena</i>-Poly[[[aquasilver(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-aminobenzoate nitrate hydrate]","Acta Crystallographica Section E","2010","66","3","m287","","10.1107/S1600536810005052","","","0.71073","MoKα","","0.0299","0.023","","","0.0549","0.0586","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225924","9.247","0.002","6.876","0.001","10.95","0.002","90","","97.9","0.03","90","","689.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(<i>E</i>)-3-Propoxymethylidene-2,3-dihydro-1<i>H</i>- pyrrolo[2,1-<i>b</i>]quinazolin-9-one monohydrate","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C30 H36 N4 O6 -","2","0.5","LH5028","Elmuradov, Burkhon Zh; Turgunov, Kambarali; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusniddin M.","(<i>E</i>)-3-Propoxymethylidene-2,3-dihydro-1<i>H</i>-pyrrolo[2,1-<i>b</i>]quinazolin-9-one monohydrate","Acta Crystallographica Section E","2010","66","5","o1238","","10.1107/S1600536810014303","","","0.71073","MoKα","","0.1028","0.0636","","","0.1217","0.1439","","","","","","1.149","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226236","7.3282","0.0015","7.417","0.0015","7.3928","0.0015","90","","92.72","0.03","90","","401.37","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4-Methylmorpholinium bromide","","- C5 H12 Br N O -","- C5 H12 Br N O -","- C10 H24 Br2 N2 O2 -","2","0.5","NG2770","Yao, Ji-Yuan","4-Methylmorpholinium bromide","Acta Crystallographica Section E","2010","66","6","o1375","","10.1107/S1600536810017447","","","0.71073","MoKα","","0.0455","0.0367","","","0.0931","0.0984","","","","","","0.97","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226521","6.0803","0.0006","20.643","0.002","8.661","0.0009","90","","104.42","0.001","90","","1052.84","0.18","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Hexaaquamanganese(II) 4,4'-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate","","- C16 H26 Mn O13 -","- C16 H26 Mn O13 -","- C32 H52 Mn2 O26 -","2","0.5","HY2318","Hao, Cheng-Jun; Cao, Yun-Li","Hexaaquamanganese(II) 4,4'-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate","Acta Crystallographica Section E","2010","66","7","m809","","10.1107/S1600536810022300","","","0.71073","MoKα","","0.0648","0.0565","","","0.1365","0.1399","","","","","","1.225","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226968","6.0356","0.0009","20.508","0.002","8.626","0.001","90","","104.141","0.001","90","","1035.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Hexaaquazinc(II) 4,4'-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate","","- C16 H26 O13 Zn -","- C16 H26 O13 Zn -","- C32 H52 O26 Zn2 -","2","0.5","JH2181","Tian, Da-Min; Shi, Chong-Yu; Hao, Cheng-Jun","Hexaaquazinc(II) 4,4'-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate","Acta Crystallographica Section E","2010","66","8","m968","","10.1107/S1600536810027972","","","0.71073","MoKα","","0.0767","0.0675","","","0.1563","0.1597","","","","","","1.255","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226996","9.7437","0.0008","16.7792","0.0014","10.5931","0.0009","90","","110.029","0.001","90","","1627.1","0.2","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Dibromido[1,1'-dibenzyl-2,2'-(sulfanediyldimethylene)di-1<i>H</i>- benzimidazole]cadmium(II) dimethylformamide solvate","","- C33 H33 Br2 Cd N5 O S -","- C33 H33 Br2 Cd N5 O S -","- C66 H66 Br4 Cd2 N10 O2 S2 -","2","0.5","LH5084","Wang, Kaitong; Yuan, Jingkun; Chen, Guisheng; Chen, Qian; Wu, Huilu","Dibromido[1,1'-dibenzyl-2,2'-(sulfanediyldimethylene)di-1<i>H</i>-benzimidazole]cadmium(II) dimethylformamide solvate","Acta Crystallographica Section E","2010","66","8","m993","","10.1107/S1600536810028448","","","0.71073","MoKα","","0.0393","0.0291","","","0.0715","0.0769","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227856","6.043","0.0006","20.487","0.002","8.6341","0.0009","90","","104.115","0.001","90","","1036.65","0.18","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Hexaaquacobalt(II) 4,4'-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate","","- C16 H26 Co O13 -","- C16 H26 Co O13 -","- C32 H52 Co2 O26 -","2","0.5","NK2059","Tang, Ping; Ma, Dan; Chen, Zhan-qing","Hexaaquacobalt(II) 4,4'-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate","Acta Crystallographica Section E","2010","66","10","m1322","","10.1107/S1600536810037451","","","0.71073","MoKα","","0.081","0.0745","","","0.1744","0.1768","","","","","","1.254","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228055","7.4153","0.0015","5.6206","0.0011","9.445","0.002","90","","90.723","0.014","90","","393.62","0.14","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tripotassium gadolinium(III) bis[orthophosphate(V)]","","- Gd K3 O8 P2 -","- Gd K3 O8 P2 -","- Gd2 K6 O16 P4 -","2","0.5","WM2378","Zhao, Dan; Li, Fei Fei","K~3~Gd(PO~4~)~2~","Acta Crystallographica Section E","2010","66","9","i64","","10.1107/S160053681003103X","","","0.71073","MoKα","","0.0283","0.027","","","0.0635","0.0646","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228133","6.0189","0.0012","20.436","0.004","8.6096","0.0017","90","","103.95","0.03","90","","1027.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Hexaaquanickel(II) 4,4'-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate","","- C16 H26 Ni O13 -","- C16 H26 Ni O13 -","- C32 H52 Ni2 O26 -","2","0.5","XU5046","Li, Shi-Jie; Hu, Shi-Wei; Song, Wen-Dong; Qin, Pei-Wen; Ma, Xiao-Tian","Hexaaquanickel(II) 4,4'-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate","Acta Crystallographica Section E","2010","66","11","m1383","","10.1107/S1600536810039917","","","0.71073","MoKα","","0.0728","0.0707","","","0.1825","0.1836","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228336","6.8806","0.0014","11.767","0.002","8.8082","0.0018","90","","103.59","0.03","90","","693.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lithium pyrazine tetracarboxylate pentahydrate","<i>catena</i>-Poly[[(3,5-dicarboxypyrazine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^)lithium(I)]-μ-aqua- [triaqualithium(I)]-μ-aqua]","","- C8 H12 Li2 N2 O13 -","- C8 H12 Li2 N2 O13 -","- C16 H24 Li4 N4 O26 -","2","0.5","HB5710","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[(3,5-dicarboxypyrazine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^)lithium(I)]-μ-aqua-[triaqualithium(I)]-μ-aqua]","Acta Crystallographica Section E","2010","66","12","m1561","m1562","10.1107/S1600536810045903","","","0.71073","MoKα","","0.0698","0.039","","","0.1131","0.1274","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228374","7.276","0.003","6.581","0.002","10.297","0.003","90","","92.997","0.002","90","","492.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4-Methyl-1-(3-pyridylmethylidene)thiosemicarbazide","","- C8 H10 N4 S -","- C8 H10 N4 S -","- C16 H20 N8 S2 -","2","0.5","HB5755","Li, Rongchun","4-Methyl-1-(3-pyridylmethylidene)thiosemicarbazide","Acta Crystallographica Section E","2010","66","12","o3324","","10.1107/S1600536810048853","","","0.71073","MoKα","","0.084","0.0425","","","0.0983","0.1176","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228452","11.6385","0.0016","6.6555","0.0005","11.6634","0.0016","90","","117.379","0.014","90","","802.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C19 H19 F N4 S -","- C19 H19 F N4 S -","- C38 H38 F2 N8 S2 -","2","0.5","KP2286","Khan, Mahmood-ul-Hassan; Hameed, Shahid; Akhtar, Tashfeen; Stoeckli-Evans, Helen","6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2010","66","12","o3215","o3216","10.1107/S1600536810046428","","","0.71073","MoKα","","0.0481","0.03","","","0.0693","0.0736","","","","","","0.952","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228860","8.6323","0.0017","6.7133","0.0013","8.6841","0.0017","90","","100.99","0.03","90","","494.02","0.17","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,4,6-Trimethylpyridinium dihydrogen phosphate","","- C8 H11 N O4 P -","- C8 H11 N O4 P -","- C16 H22 N2 O8 P2 -","2","0.5","RZ2528","Cai, Hong-Ling; Dai, Jing","2,4,6-Trimethylpyridinium dihydrogen phosphate","Acta Crystallographica Section E","2011","67","1","o72","","10.1107/S1600536810050646","","","0.71073","MoKα","","0.0531","0.0469","","","0.1392","0.1439","","","","","","1.175","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229389","3.7736","0.0008","16.292","0.004","6.2753","0.0014","90","","91.871","0.005","90","","385.6","0.15","297","2","297","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","5-Fluoroisophthalic acid","5-fluorobenzene-1,3-dicarboxylic acid","","- C8 H5 F O4 -","- C8 H5 F O4 -","- C16 H10 F2 O8 -","2","0.5","GO2002","Mi, Jin-Ling; Chen, Le; He, Ming-Yang","5-Fluoroisophthalic acid","Acta Crystallographica Section E","2011","67","3","o590","","10.1107/S1600536811004004","","","0.71073","MoKα","","0.0482","0.0413","","","0.1477","0.1608","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229599","9.792","0.001","6.802","0.001","10.879","0.001","90","","94.26","0.01","90","","722.6","0.15","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","2,5-Dichloroanilinium 4-chlorobenzenesulfonate","","- C12 H10 Cl3 N O3 S -","- C12 H10 Cl3 N O3 S -","- C24 H20 Cl6 N2 O6 S2 -","2","0.5","BT5496","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","2,5-Dichloroanilinium 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2011","67","4","o967","","10.1107/S1600536811010518","","","0.71073","MoKα","","0.0415","0.0368","","","0.1032","0.1071","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229640","7.5903","0.0003","8.8816","0.0004","10.5343","0.0005","90","","96.137","0.003","90","","706.09","0.05","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Aquabromidobis(dimethylglyoximato)cobalt(III)","","- C8 H16 Br Co N4 O5 -","- C8 H16 Br Co N4 O5 -","- C16 H32 Br2 Co2 N8 O10 -","2","0.5","FJ2399","Meera, Parthasarathy; Amutha Selvi, Madhavan; Jothi, Pachaimuthu; Dayalan, Arunachalam","Aquabromidobis(dimethylglyoximato)cobalt(III)","Acta Crystallographica Section E","2011","67","4","m442","m443","10.1107/S1600536811008877","","","0.71073","MoKα","","0.0402","0.0338","","","0.0907","0.0955","","","","","","1.221","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230113","8.3927","0.0007","12.1388","0.0014","8.586","0.0009","90","","97.045","0.001","90","","868.11","0.15","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Bis(2-ethyl-5-methyl-1<i>H</i>-imidazole)-4,4'-methanediyl Co(II)chloride monohydrate","Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl- κ<i>N</i>^3^)methane]cobalt(II) monohydrate","","- C13 H22 Cl2 Co N4 O -","- C13 H22 Cl2 Co N4 O -","- C26 H44 Cl4 Co2 N8 O2 -","2","0.5","PV2382","Qian, Xiao-Min; Luo, Yang-Hui; Li, Jin-Feng; Mao, Shu-Lin; Gao, Ge","Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)methane]cobalt(II) monohydrate","Acta Crystallographica Section E","2011","67","5","m575","","10.1107/S1600536811011032","","","0.71073","MoKα","","0.0649","0.0404","","","0.0976","0.1143","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230125","5.426","0.0005","7.4981","0.0006","24.376","0.002","90","","93.557","0.001","90","","989.82","0.15","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pentadecylammonium methyl sulfate","","- C16 H37 N O4 S -","- C16 H37 N O4 S -","- C32 H74 N2 O8 S2 -","2","0.5","RU2002","Zhang, Lijun; Di, Youying; Dan, Wenyan","Pentadecylammonium methyl sulfate","Acta Crystallographica Section E","2011","67","5","o1051","","10.1107/S1600536811011226","","","0.71073","MoKα","","0.1272","0.0742","","","0.2054","0.2281","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230216","3.7687","0.0013","13.698","0.005","11.852","0.004","90","","92.851","0.006","90","","611.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[4,6-bis(2-pyridyl)-1,3,5-triazin-2-olato]copper(II)]- μ-chlorido]","","- C13 H8 Cl Cu N5 O -","- C13 H8 Cl Cu N5 O -","- C26 H16 Cl2 Cu2 N10 O2 -","2","0.5","AA2005","Cao, Man-Li","<i>catena</i>-Poly[[[4,6-bis(2-pyridyl)-1,3,5-triazin-2-olato]copper(II)]-μ-chlorido]","Acta Crystallographica Section E","2011","67","6","m739","","10.1107/S1600536811016989","","","0.71073","MoKα","","0.0401","0.0333","","","0.0818","0.0852","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230676","7.7615","0.0006","6.4257","0.0004","12.248","0.0009","90","","93.893","0.003","90","","609.44","0.08","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","<i>N</i>'-[(<i>E</i>)-2-Methoxybenzylidene]pyrazine-2-carbohydrazide","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C26 H24 N8 O4 -","2","0.5","HB5910","de Souza, Marcus V. N.; da Lima, Camilo H.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","<i>N</i>'-[(<i>E</i>)-2-Methoxybenzylidene]pyrazine-2-carbohydrazide","Acta Crystallographica Section E","2011","67","7","o1714","o1715","10.1107/S1600536811022938","","","0.71073","MoKα","","0.0823","0.0522","","","0.1272","0.1469","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230934","4.8825","0.001","7.9565","0.0016","15.452","0.003","90","","97.35","0.03","90","","595.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4-Butylanilinium perchlorate","","- C10 H16 Cl N O4 -","- C10 H16 Cl N O4 -","- C20 H32 Cl2 N2 O8 -","2","0.5","XU5241","Cai, Xing-Wei; Lu, Hong-Fei","4-Butylanilinium perchlorate","Acta Crystallographica Section E","2011","67","7","o1690","","10.1107/S1600536811022860","","","0.71073","MoKα","","0.1068","0.084","","","0.2409","0.2548","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231468","8.442","0.003","9.548","0.004","12.098","0.005","90","","107.085","0.005","90","","932.1","0.6","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,4'-(Cyclohexane-1,1-diyl)dianilinium dichloride monohydrate","","- C18 H26 Cl2 N2 O -","- C18 H26 Cl2 N2 O -","- C36 H52 Cl4 N4 O2 -","2","0.5","FF2022","Qian, Hui-Fen; Huang, Wei","4,4'-(Cyclohexane-1,1-diyl)dianilinium dichloride monohydrate","Acta Crystallographica Section E","2011","67","9","o2420","","10.1107/S1600536811032995","","","0.71073","MoKα","","0.0905","0.0653","","","0.1892","0.2124","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231549","6.787","0.005","6.758","0.005","12.036","0.005","90","","102.919","0.005","90","","538.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[diaquacopper(II)]-μ-hydroxido-κ^2^<i>O</i>:<i>O</i>- μ-[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato]- κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C9 H11 Cu N3 O5 -","- C9 H11 Cu N3 O5 -","- C18 H22 Cu2 N6 O10 -","2","0.5","HY2457","Shi, Haochen; Gao, Feng; Qi, Jingang","<i>catena</i>-Poly[[diaquacopper(II)]-μ-hydroxido-κ^2^<i>O</i>:<i>O</i>-μ-[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato]-κ^2^<i>N</i>^1^:<i>N</i>^2^]","Acta Crystallographica Section E","2011","67","9","m1255","m1256","10.1107/S1600536811032624","","","0.71073","MoKα","","0.0323","0.0279","","","0.0801","0.0828","","","","","","1.12","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231972","9.2939","0.0008","7.0159","0.0006","10.5536","0.0011","90","","103.322","0.001","90","","669.63","0.11","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-Methylpropan-2-aminium 2-(methoxycarbonyl)benzoate","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C26 H38 N2 O8 -","2","0.5","LH5313","Li, Jian","2-Methylpropan-2-aminium 2-(methoxycarbonyl)benzoate","Acta Crystallographica Section E","2011","67","10","o2705","","10.1107/S1600536811037688","","","0.71073","MoKα","","0.0786","0.0467","","","0.1155","0.1374","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232646","8.2989","0.0012","16.373","0.002","8.3168","0.0012","90","","111.948","0.002","90","","1048.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazol-1-ium tetraoxidorhenate(VII)","","- C21 H25 N2 O4 Re -","- C21 H25 N2 O4 Re -","- C42 H50 N4 O8 Re2 -","2","0.5","EZ2273","Landman, Marilé; van der Westhuizen, Belinda; Bezuidenhout, Daniela I.; Liles, David C.","1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazol-1-ium tetraoxidorhenate(VII)","Acta Crystallographica Section E","2011","67","12","m1897","","10.1107/S1600536811050677","","","0.71073","MoKα","","0.0362","0.0331","","","0.0813","0.0829","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232823","3.5346","0.0007","12.519","0.003","8.3583","0.0017","90","","97.86","0.03","90","","366.38","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[(6-carboxypyrazine-2-carboxylato)lithium]-μ-aqua]","","- C6 H5 Li N2 O5 -","- C6 H5 Li N2 O5 -","- C12 H10 Li2 N4 O10 -","2","0.5","KP2364","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[(6-carboxypyrazine-2-carboxylato)lithium]-μ-aqua]","Acta Crystallographica Section E","2011","67","12","m1708","m1709","10.1107/S1600536811046198","","","0.71073","MoKα","","0.088","0.0539","","","0.1488","0.1705","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233112","5.947","0.0004","7.4331","0.0005","26.72","0.002","90","","92.185","0.001","90","","1180.29","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-3-tetradecyloxypropan-1-aminium bromide","","- C20 H44 Br N O2 -","- C20 H44 Br N O2 -","- C40 H88 Br2 N2 O4 -","2","0.5","CV5198","Wang, Xiuhong; Wei, Xilian; Du, Panpan","2-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-3-tetradecyloxypropan-1-aminium bromide","Acta Crystallographica Section E","2012","68","1","o246","","10.1107/S1600536811054651","","","0.71073","MoKα","","0.0836","0.052","","","0.1421","0.154","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233617","12.063","0.002","6.9282","0.0014","15.118","0.003","90","","91.53","0.003","90","","1263","0.4","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(4-cyano-1-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)","","- C22 H14 Cu N8 S4 -","- C22 H14 Cu N8 S4 -","- C44 H28 Cu2 N16 S8 -","2","0.5","RZ2689","Wang, Na; Wang, Jin-Guo; Min, An-Jie; Fu, Yao-Wen","Bis(4-cyano-1-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)","Acta Crystallographica Section E","2012","68","2","m164","","10.1107/S1600536812001377","","","0.71073","MoKα","","0.0528","0.041","","","0.0986","0.101","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233808","6.8502","0.0006","6.5705","0.0007","17.6761","0.0015","90","","98.432","0.008","90","","786.99","0.13","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C36 H38 N6 O6 -","2","0.5","GG2074","El-Emam, Ali A.; Kadi, Adnan A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2012","68","3","o795","","10.1107/S1600536812005302","","","0.71073","MoKα","","0.0675","0.0465","","","0.1076","0.123","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233839","6.5305","0.0001","6.6798","0.0001","13.7264","0.0002","90","","96.676","0.001","90","","594.719","0.015","100","1","100","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(<i>E</i>)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C28 H32 O6 -","2","0.5","HB6621","Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; El-Behairy, Mohammed F.; Al-Deeb, Omar A.","(<i>E</i>)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one","Acta Crystallographica Section E","2012","68","3","o634","","10.1107/S1600536812004242","","","0.71073","MoKα","","0.0401","0.037","","","0.1068","0.1103","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234021","9.913","0.002","16.887","0.003","12.622","0.003","90","","106.72","0.03","90","","2023.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(phthalocyaninato- κ^4^<i>N</i>)(phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)","","- C49 H31 Er N10 O2 -","- C49 H31 Er N10 O2 -","- C98 H62 Er2 N20 O4 -","2","0.5","VM2147","Li, Hong-Feng; Yan, Peng-Fei","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(phthalocyaninato-κ^4^<i>N</i>)(phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)","Acta Crystallographica Section E","2012","68","3","m251","","10.1107/S1600536812003972","","","0.71073","MoKα","","0.0555","0.0333","","","0.0672","0.0921","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234134","5.6042","0.0004","19.5147","0.0019","7.0656","0.0005","90","","106.835","0.005","90","","739.61","0.11","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Dibromidobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc","","- C10 H10 Br2 N6 O2 Zn -","- C10 H10 Br2 N6 O2 Zn -","- C20 H20 Br4 N12 O4 Zn2 -","2","0.5","BT5863","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromidobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc","Acta Crystallographica Section E","2012","68","4","m527","","10.1107/S1600536812013335","","","0.71073","MoKα","","0.0583","0.0455","","","0.1058","0.1106","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234188","3.8317","0.0001","14.1366","0.0003","7.0773","0.0002","90","","96.814","0.002","90","","380.65","0.017","294","0.1","294","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)di-μ~2~- chlorido-mercury(II)]","","- C4 H5 Cl2 Hg N3 -","- C4 H5 Cl2 Hg N3 -","- C8 H10 Cl4 Hg2 N6 -","2","0.5","GK2458","Eshtiagh-Hosseini, Hossein; Yousefi, Zakieh; Janiak, Agnieszka","Poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)di-μ~2~-chlorido-mercury(II)]","Acta Crystallographica Section E","2012","68","4","m385","m386","10.1107/S1600536812008793","","","0.71073","MoKα","","0.0237","0.0195","","","0.0474","0.0493","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234393","3.8932","0.0003","9.1841","0.0006","14.8394","0.0009","90","","93.664","0.012","90","","529.51","0.06","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-Chloroanilinium hydrogen maleate","4-Chloroanilinium 3-carboxyprop-2-enoate","","- C10 H10 Cl N O4 -","- C10 H10 Cl N O4 -","- C20 H20 Cl2 N2 O8 -","2","0.5","SJ5203","Anitha, R.; Athimoolam, S.; Bahadur, S. Asath; Gunasekaran, M.","4-Chloroanilinium 3-carboxyprop-2-enoate","Acta Crystallographica Section E","2012","68","4","o959","o960","10.1107/S1600536812008458","","","0.71073","MoKα","","0.0389","0.0368","","","0.1025","0.1056","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234685","5.1997","0.001","27.188","0.005","6.4347","0.0013","90","","111.24","0.03","90","","847.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-\ μ-pyrazine-2-carboxylato] nitrate dihydrate]","","- C10 H14 Ag N5 Ni O11 -","- C10 H14 Ag N5 Ni O11 -","- C20 H28 Ag2 N10 Ni2 O22 -","2","0.5","IS5099","Yang, Min; Chai, Li-Yuan; Yi, Xiao-Yi","<i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-μ-pyrazine-2-carboxylato] nitrate dihydrate]","Acta Crystallographica Section E","2012","68","5","m689","","10.1107/S1600536812018119","","","0.71073","MoKα","","0.0947","0.0699","","","0.2245","0.2445","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234831","7.4299","0.0001","6.2949","0.0001","8.9057","0.0001","90","","113.936","0.001","90","","380.702","0.009","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Dicobalt lead bis[orthophosphate(V)]hydroxide hydrate","Dicobalt(II) lead(II) hydrogenphosphate(V) phosphate(V) hydroxide monohydrate","","- Co2 H4 O10 P2 Pb -","- Co2 H4 O10 P2 Pb -","- Co4 H8 O20 P4 Pb2 -","2","0.5","WM2609","Assani, Abderrazzak; Saadi, Mohamed; Zriouil, Mohammed; El Ammari, Lahcen","Dicobalt(II) lead(II) hydrogenphosphate(V) phosphate(V) hydroxide monohydrate","Acta Crystallographica Section E","2012","68","5","i30","","10.1107/S1600536812014870","","","0.71073","MoKα","","0.0169","0.0163","","","0.0386","0.0388","","","","","","1.106","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234837","5.53806","0.00004","10.50365","0.00008","10.2096","0.0001","90","","104.076","0.0007","90","","576.058","0.008","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Poly[[μ-(1-ammonioethane-1,1- diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]","","- C2 H12 Cl N Na2 O8 P2 -","- C2 H12 Cl N Na2 O8 P2 -","- C4 H24 Cl2 N2 Na4 O16 P4 -","2","0.5","WM2620","Rukiah, Mwaffak; Assaad, Thaer","Poly[[μ-(1-ammonioethane-1,1-diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]: a powder X-ray diffraction study","Acta Crystallographica Section E","2012","68","5","m699","m700","10.1107/S1600536812018077","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.33","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234845","5.4296","0.0005","19.7629","0.0014","6.8396","0.0005","90","","105.131","0.007","90","","708.48","0.1","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Dichloridobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc(II)","","- C10 H10 Cl2 N6 O2 Zn -","- C10 H10 Cl2 N6 O2 Zn -","- C20 H20 Cl4 N12 O4 Zn2 -","2","0.5","XU5500","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dichloridobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc(II)","Acta Crystallographica Section E","2012","68","5","m546","","10.1107/S1600536812013888","","","0.71073","MoKα","","0.0708","0.0446","","","0.0869","0.0929","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234861","8.1727","0.0015","13.681","0.002","9.5173","0.0015","90","","98.39","0.005","90","","1052.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Benzene-1,2-di(aminium) naphthalene-1,5-disulfonate methanol monosolvate trihydrate","","- C17 H26 N2 O10 S2 -","- C17 H26 N2 O10 S2 -","- C34 H52 N4 O20 S4 -","2","0.5","XU5520","Gao, Shan; Ng, Seik Weng","Benzene-1,2-di(aminium) naphthalene-1,5-disulfonate methanol monosolvate trihydrate","Acta Crystallographica Section E","2012","68","5","o1574","","10.1107/S1600536812018284","","","0.71073","MoKα","","0.0687","0.0545","","","0.1573","0.1762","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235168","5.0922","0.001","6.7526","0.0014","8.6578","0.0017","90","","90.17","0.03","90","","297.7","0.1","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-Ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C4 H7 N3 S -","- C4 H7 N3 S -","- C8 H14 N6 S2 -","2","0.5","NC2279","Jing, Bi; Du, Yuao-Chao; Zhu, Ai-Xin","3-Ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1802","","10.1107/S1600536812021927","","","0.71073","MoKα","","0.0441","0.0422","","","0.1151","0.116","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235173","8.3401","0.0017","6.9084","0.0014","13.994","0.003","90","","96.082","0.004","90","","801.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(1<i>E</i>,4<i>E</i>)-1-(Thiophen-2-yl)-5-(2,6,6-trimethylcyclohex-1-en-1- yl)penta-1,4-dien-3-one","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","0.5","NG5270","Zhang, Ya-Li; Xiang, Liu-Fang; Zou, Peng; Jin, Yi-Jun; Yang, Shu-Lin","(1<i>E</i>,4<i>E</i>)-1-(Thiophen-2-yl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2012","68","6","o1859","","10.1107/S1600536812022465","","","0.71073","MoKα","","0.0491","0.046","","","0.1322","0.137","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235174","9.1117","0.0004","16.499","0.0008","10.8875","0.0006","90","","101.068","0.004","90","","1606.32","0.14","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-1<i>H</i>-imidazol-3-ium chloride dichloromethane disolvate","","- C29 H41 Cl5 N2 -","- C29 H41 Cl5 N2 -","- C58 H82 Cl10 N4 -","2","0.5","NG5271","Berger, Matthias; Auner, Norbert; Bolte, Michael","1,3-Bis(2,6-diisopropylphenyl)-1<i>H</i>-imidazol-3-ium chloride dichloromethane disolvate","Acta Crystallographica Section E","2012","68","6","o1844","","10.1107/S1600536812022234","","","0.71073","MoKα","","0.08","0.0746","","","0.1798","0.1839","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235175","9.1874","0.0008","16.5165","0.0012","11.03","0.001","90","","102.332","0.007","90","","1635.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate","","- C29 H41 Br Cl4 N2 -","- C29 H41 Br Cl3.998 N2 -","- C58 H82 Br2 Cl7.996 N4 -","2","0.5","NG5272","Berger, Matthias; Auner, Norbert; Sinke, Tanja; Bolte, Michael","1,3-Bis(2,6-diisopropylphenyl)-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate","Acta Crystallographica Section E","2012","68","6","o1845","","10.1107/S1600536812022246","","","0.71073","MoKα","","0.0441","0.0377","","","0.0875","0.0901","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235570","4.7913","0.0002","8.868","0.0004","10.6156","0.0005","90","","101.115","0.005","90","","442.59","0.04","292","2","292","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Co2V2Se2O11","dicobalt(II) divanadium(V) diselenium(IV) undecaoxide","","- Co2 O11 Se2 V2 -","- Co2 O11 Se2 V2 -","- Co4 O22 Se4 V4 -","2","0.5","PK2421","Rabbani, Faiz; Zimmermann, Iwan; Johnsson, Mats","The synthetic cobalt vanadium selenite, Co~2~V~2~Se~2~O~11~","Acta Crystallographica Section E","2012","68","7","i61","","10.1107/S1600536812027286","","","0.71073","MoKα","","0.0585","0.0317","","","0.0453","0.0479","","","","","","0.76","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235939","7.9733","0.001","20.738","0.003","8.2987","0.0011","90","","91.35","0.002","90","","1371.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Aqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)- κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^3'^,<i>O</i>^4'^](pyridine- κ<i>N</i>)cobalt(II)‒4,4'-bipyridine (1/1)","","- C28 H24 Co N7 O9 -","- C28 H24 Co N7 O9 -","- C56 H48 Co2 N14 O18 -","2","0.5","PK2422","Liu, Wei; Li, Xia","Aqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^3'^,<i>O</i>^4'^](pyridine-κ<i>N</i>)cobalt(II)‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2012","68","8","m1109","m1110","10.1107/S1600536812029856","","","0.71073","MoKα","","0.0617","0.0426","","","0.0958","0.1053","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236341","6.7876","0.0007","14.286","0.0014","7.8893","0.0008","90","","113.562","0.002","90","","701.23","0.12","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tetrabromido(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(IV)","","- C10 H9 Br4 N3 Pt -","- C10 H9 Br4 N3 Pt -","- C20 H18 Br8 N6 Pt2 -","2","0.5","HY2577","Ha, Kwang","Tetrabromido(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(IV)","Acta Crystallographica Section E","2012","68","9","m1141","","10.1107/S160053681203379X","","","0.71073","MoKα","","0.0388","0.0281","","","0.0679","0.0747","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236920","8.9111","0.0003","7.2255","0.0003","10.6194","0.0004","90","","108.994","0.002","90","","646.52","0.04","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Diammine{<i>N</i>-[2-(hydroxyimino)propionyl]-<i>N</i>'-[2- (oxidoimino)propionyl]propane-1,3-diaminido- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III)","","- C9 H19 Fe N6 O4 -","- C9 H19 Fe N6 O4 -","- C18 H38 Fe2 N12 O8 -","2","0.5","HY2607","Tomyn, Stefania; Haukka, Matti; Nedelkov, Ruslan","Diammine{<i>N</i>-[2-(hydroxyimino)propionyl]-<i>N</i>'-[2-(oxidoimino)propionyl]propane-1,3-diaminido-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III)","Acta Crystallographica Section E","2012","68","12","m1568","m1569","10.1107/S160053681204826X","","","0.71073","MoKα","","0.039","0.0299","","","0.0708","0.0741","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237248","7.0816","0.0003","6.6863","0.0002","11.7382","0.0005","90","","101.005","0.004","90","","545.58","0.04","200","1","200","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","caesium 4-amino-3,5,6-trichloropicolinate monohydrate","Poly[(μ~6~-4-amino-3,5,6-trichloropyridine-2-carboxylato)aquacaesium]","","- C6 H4 Cl3 Cs N2 O3 -","- C6 H4 Cl3 Cs N2 O3 -","- C12 H8 Cl6 Cs2 N4 O6 -","2","0.5","WM2705","Smith, Graham","Poly[(μ~6~-4-amino-3,5,6-trichloropyridine-2-carboxylato)aquacaesium]","Acta Crystallographica Section E","2013","69","1","m22","m23","10.1107/S1600536812049562","","","0.71073","MoKα","","0.0216","0.0207","","","0.0521","0.0526","","","","","","0.979","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237313","11.537","0.002","7.0093","0.0014","11.632","0.002","90","","106.57","0.03","90","","901.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide‒ pyrrolidine-2,5-dione (1/1)","","- C16 H16 Br2 N4 O3 -","- C16 H16 Br2 N4 O3 -","- C32 H32 Br4 N8 O6 -","2","0.5","GK2541","Gou, Gao-Zhang; Kou, Jun-Feng; Zhou, Qing-Di; Chi, Shao-Ming","<i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide‒pyrrolidine-2,5-dione (1/1)","Acta Crystallographica Section E","2013","69","2","o153","o154","10.1107/S1600536812051112","","","0.71073","MoKα","","0.0763","0.0507","","","0.1307","0.1642","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237321","8.9577","0.0004","12.015","0.0005","4.9079","0.0002","90","","100.505","0.002","90","","519.37","0.04","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","penikisite","Barium dimagnesium dialuminium triphosphate trihydroxide","","- Al2 Ba H3 Mg1.97 Mn0.03 O15 P3 -","- Al2 Ba H3 Mg1.97 Mn0.03 O15 P3 -","- Al4 Ba2 H6 Mg3.94 Mn0.06 O30 P6 -","2","0.5","HB7009","Bowman, Michael G.; Downs, Robert T.; Yang, Hexiong","Penikisite, BaMg~2~Al~2~(PO~4~)~3~(OH)~3~, isostructural with bjarebyite","Acta Crystallographica Section E","2013","69","2","i4","i5","10.1107/S1600536812051793","","","0.71073","MoKα","","0.0155","0.015","","","0.0387","0.0389","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237338","7.451","0.0005","14.1636","0.0008","8.1977","0.0005","90","","90.459","0.006","90","","865.1","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[(acetatochloridozinc)-μ-1,1'-[1,4- phenylenebis(methylene)]di-1<i>H</i>-imidazole]","","- C16 H17 Cl N4 O2 Zn -","- C16 H17 Cl N4 O2 Zn -","- C32 H34 Cl2 N8 O4 Zn2 -","2","0.5","HP2053","Wang, Liang","<i>catena</i>-Poly[(acetatochloridozinc)-μ-1,1'-[1,4-phenylenebis(methylene)]di-1<i>H</i>-imidazole]","Acta Crystallographica Section E","2013","69","2","m102","","10.1107/S1600536813000524","","","0.71073","MoKα","","0.0787","0.0535","","","0.1137","0.1239","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237730","5.4228","0.0004","7.1572","0.0006","7.4539","0.0007","90","","105.121","0.009","90","","279.28","0.04","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dipotassium hydrogen carbonate fluoride monohydrate","","- C H3 F K2 O4 -","- C H3 F K2 O4 -","- C2 H6 F2 K4 O8 -","2","0.5","WM2728","Kahlenberg, Volker; Schwaier, Timo","Dipotassium hydrogencarbonate fluoride monohydrate","Acta Crystallographica Section E","2013","69","4","i20","","10.1107/S1600536813006041","","","0.71073","MoKα","","0.034","0.0283","","","0.07","0.0748","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237763","4.83","0.002","8.721","0.002","9.3269","0.0009","90","","98.08","0.03","90","","388.97","0.19","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dicobalt(II) triarsenate","","- As3 Co2 Li O10 -","- As3 Co2 Li O10 -","- As6 Co4 Li2 O20 -","2","0.5","BR2224","Ben Smida, Youssef; Guesmi, Abderrahmen; Driss, Ahmed","LiCo~2~As~3~O~10~: une nouvelle structure à tunnels interconnectés","Acta Crystallographica Section E","2013","69","6","i39","","10.1107/S1600536813013548","","","0.71073","MoKα","","0.0271","0.0229","","","0.0609","0.0633","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237770","6.008","0.0012","6.3519","0.0013","7.4834","0.0015","90","","112.2","0.03","90","","264.41","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Pyrimidine-4-carboxylic acid","","- C5 H4 N2 O2 -","- C5 H4 N2 O2 -","- C10 H8 N4 O4 -","2","0.5","BT6903","Kiegiel, Katarzyna; Starosta, Wojciech; Leciejewicz, Janusz","Pyrimidine-4-carboxylic acid","Acta Crystallographica Section E","2013","69","6","o885","","10.1107/S1600536813012610","","","0.71073","MoKα","","0.0831","0.0476","","","0.107","0.1244","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237923","9.6063","0.0012","7.0457","0.0009","11.9688","0.0015","90","","96.723","0.001","90","","804.52","0.18","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-Bromo-1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C38 H34 Br2 O6 -","2","0.5","KP2449","Fan, Cui-Ping; Yin, Wei-Ping; Cao, Xin-Xiang; Yao, Jing-Cai","2-Bromo-1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione","Acta Crystallographica Section E","2013","69","6","o834","","10.1107/S1600536813011483","","","0.71073","MoKα","","0.0492","0.0329","","","0.0825","0.0866","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238239","6.6634","0.0002","8.5514","0.0003","11.8716","0.0005","90","","105.067","0.003","90","","653.21","0.04","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cythioate","<i>O</i>,<i>O</i>-Dimethyl <i>O</i>-(4-sulfamoylphenyl) phosphorothioate","","- C8 H12 N O5 P S2 -","- C8 H12 N O5 P S2 -","- C16 H24 N2 O10 P2 S4 -","2","0.5","RZ5064","Zhao, Puhan; Baughman, Russell G.","<i>O</i>,<i>O</i>-Dimethyl <i>O</i>-(4-sulfamoylphenyl) phosphorothioate (cythioate)","Acta Crystallographica Section E","2013","69","7","o1042","","10.1107/S1600536813014724","","","0.71073","MoKα","","0.0478","0.0414","","","0.109","0.1121","","","","","","1.207","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239039","9.696","0.005","6.606","0.005","13.385","0.005","90","","110.249","0.005","90","","804.3","0.8","293","2","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1-[(<i>E</i>)-2-(5-<i>tert</i>-Butyl-2-hydroxyphenyl)diazen-1-yl]naphthalen-2-ol","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","0.5","XU5764","Bougueria, Hassiba; Mili, Assia; Benosmane, Ali; el kader Bouchoul, Abd; Bouaoud, Salaheddine","1-[(<i>E</i>)-2-(5-<i>tert</i>-Butyl-2-hydroxyphenyl)diazen-1-yl]naphthalen-2-ol","Acta Crystallographica Section E","2014","70","2","o225","","10.1107/S1600536814001731","","","0.71073","MoKα","","0.0822","0.0477","","","0.1212","0.1437","","","","","","0.894","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239474","11.6695","0.0003","8.52379","0.00018","11.8165","0.0003","90","","111.753","0.003","90","","1091.67","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dirubidium lutetium tetrasilicate fluoride","","- F Lu O10 Rb2 Si4 -","- F Lu O10 Rb2 Si4 -","- F4 Lu4 O40 Rb8 Si16 -","4","1","WM5002","Kahlenberg, Volker; Manninger, Tanja","Rb~2~Lu[Si~4~O~10~]F, a tubular chain silicate","Acta Crystallographica Section E","2014","70","3","i14","","10.1107/S1600536814003043","","","0.71073","MoKα","","0.018","0.0165","","","0.0362","0.0366","","","","","","1.2","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239795","9.8937","0.0006","6.9932","0.0005","11.8054","0.0007","90","","102.078","0.001","90","","798.72","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[3-(4,5-Dihydro-1,3-thiazolin-2-yl-κ<i>N</i>)-1,3-thiazolidine-2-thione-κ<i>S</i>^2^](1,3-thiazolidine-2-thione-κ<i>S</i>^2^)copper(I) nitrate","","- C9 H13 Cu N4 O3 S5 -","- C9 H13 Cu N4 O3 S5 -","- C18 H26 Cu2 N8 O6 S10 -","2","0.5","SJ5420","Saithong, Saowanit; Klongkleaw, Pirawan; Pakawatchai, Chaveng; Mokakul, Jedsada","Crystal structure of [3-(4,5-dihydro-1,3-thiazolin-2-yl-κ<i>N</i>)-1,3-thiazolidine-2-thione-κ<i>S</i>^2^](1,3-thiazolidine-2-thione-κ<i>S</i>^2^)copper(I) nitrate","Acta Crystallographica Section E","2014","70","8","91","93","10.1107/S160053681401544X","","","0.71073","MoKα","","0.0316","0.029","","","0.0787","0.0804","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239821","11.2727","0.0011","4.0775","0.0004","10.9764","0.001","90","","114.951","0.004","90","","457.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Potassium mercury tris-thiocyanate","Potassium [trithiocyanatomercurate(II)]","","- C3 Hg K N3 S3 -","- C3 Hg K N3 S3 -","- C6 Hg2 K2 N6 S6 -","2","0.5","HB0013","Weil, Matthias; Häusler, Thomas","Crystal structure of K[Hg(SCN)~3~] ‒ a redetermination","Acta Crystallographica Section E","2014","70","9","i46","","10.1107/S1600536814013403","","","0.71073","MoKα","","0.0614","0.028","","","0.0549","0.0616","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240104","10.0644","0.0011","16.6082","0.0017","10.7107","0.0015","90","","98.48","0.01","90","","1770.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-4,5-dimethyl-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate","","- C31 H45 Br Cl4 N2 -","- C31 H45 Br Cl4 N2 -","- C62 H90 Br2 Cl8 N4 -","2","0.5","HB7303","Berger, Matthias; Auner, Norbert; Bolte, Michael","Crystal structure of 1,3-bis(2,6-diisopropylphenyl)-4,5-dimethyl-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate","Acta Crystallographica Section E","2014","70","11","o1193","o1194","10.1107/S1600536814023150","","","0.71073","MoKα","","0.1802","0.1631","","","0.3826","0.3929","","","","","","1.116","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240510","7.2023","0.0002","8.6802","0.0002","7.2922","0.0001","90","","106.497","0.002","90","","437.123","0.017","110","","110","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ruthenocenecarbonitrile","","- C11 H9 N Ru -","- C11 H9 N Ru -","- C22 H18 N2 Ru2 -","2","0.5","WM5119","Strehler, Frank; Korb, Marcus; Lang, Heinrich","Crystal structure of ruthenocenecarbonitrile","Acta Crystallographica Section E","2015","71","4","398","401","10.1107/S205698901500540X","","","0.71073","MoKα","","0.0125","0.012","","","0.0319","0.0321","","","","","","1.053","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241462","4.8742","0.0015","10.247","0.003","8.683","0.003","90","","94.97","0.01","90","","432","0.2","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6-Tribromobenzonitrile - polytype I","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C14 H4 Br6 N2 -","2","0.5","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0563","0.0462","","","0.1106","0.1158","","","","","","1.012","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241547","7.6492","0.0001","6.1262","0.0001","8.9241","0.0002","90","","112.195","0.001","90","","387.202","0.012","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Brackebuschite","Dilead(II) manganese(III) vanadate(V) hydroxide","","- H Mn O9 Pb2 V2 -","- H Mn O9 Pb2 V2 -","- H2 Mn2 O18 Pb4 V4 -","2","0.5","WM5265","Lafuente, Barbara; Downs, Robert T.","Redetermination of brackebuschite, Pb~2~Mn^3+^(VO~4~)~2~(OH)","Acta Crystallographica Section E","2016","72","3","293","296","10.1107/S2056989016001948","","","0.71073","MoKα","","0.0303","0.0249","","","0.054","0.0562","","","","","","1.046","","","","has coordinates,has Fobs","176361","2020-10-21","18:00:00",""
"2241676","10.5631","0.0007","7.0296","0.0004","20.371","0.0013","90","","90.6447","0.0011","90","","1512.54","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","","- C13 H13 N3 Ni O5 S -","- C13 H13 N3 Ni O5 S -","- C52 H52 N12 Ni4 O20 S4 -","4","1","WM5288","Liu, Chen; Thuijs, Annaliese E.; Felts, Ashley C.; Ballouk, Hamza F.; Abboud, Khalil A.","Crystal structure of <i>catena</i>-poly[[(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2016","72","5","768","771","10.1107/S2056989016007064","","","0.71073","MoKα","","0.0215","0.0201","","","0.0527","0.0551","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","182420","2020-10-21","18:00:00",""
"2241935","4.0382","0.0001","8.9362","0.0004","12.1015","0.0004","90","","93.763","0.003","90","","435.76","0.03","296","1","296","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4-Bromo-3,5-dimethylbenzonitrile","","","- C9 H8 Br N -","- C9 H8 Br N -","- C18 H16 Br2 N2 -","2","0.5","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0486","0.0443","","","0.1413","0.1471","","","","","","1.084","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2242051","7.1021","0.0004","18.0761","0.0008","10.8809","0.0007","90","","108.877","0.007","90","","1321.74","0.14","148","2","148","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Di-<i>n</i>-butylbis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']tin(IV)","","- C18 H38 N2 O2 S4 Sn -","- C18 H38 N2 O2 S4 Sn -","- C36 H76 N4 O4 S8 Sn2 -","2","0.5","HB7654","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul F.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Di-<i>n</i>-butylbis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']tin(IV): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","2","260","265","10.1107/S2056989017001098","","","0.71073","MoKα","","0.032","0.0272","","","0.0688","0.0717","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","193926","2020-10-21","18:00:00",""
"2242172","4.2713","0.0006","35.792","0.005","5.9516","0.0009","90","","93.326","0.002","90","","908.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(1<i>E</i>,1'<i>E</i>)-1,1'-(Pyridine-2,6-diyl)bis[<i>N</i>-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]","","- C21 H9 F10 N3 -","- C21 H9 F10 N3 -","- C42 H18 F20 N6 -","2","0.5","SU5374","Boyle, Jenna; Breakfield, Catherine; Buck, Leah; McMahon, Catherine; Babbini, Dominic C.","Crystal structure of (1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]","Acta Crystallographica Section E","2017","73","7","954","956","10.1107/S2056989017008040","","","0.71073","MoKα","","0.0397","0.0335","","","0.0826","0.0875","","","","","","1.066","","","","has coordinates,has Fobs","199142","2020-10-21","18:00:00",""
"2242263","9.0447","0.0012","6.8764","0.0009","10.9021","0.0014","90","","92.959","0.002","90","","677.15","0.15","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","MIAN","(<i>E</i>)-2-[(4-Chlorophenyl)imino]acenaphthylen-1-one","","- C18 H10 Cl N O -","- C18 H10 Cl N O -","- C36 H20 Cl2 N2 O2 -","2","0.5","","Bao, Lipiao; Olmstead, Marilyn M.","A temperature-dependent phase transformation of (<i>E</i>)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one","Acta Crystallographica Section E","2017","73","8","1255","1258","10.1107/S2056989017010659","","","0.71073","MoKα","","0.0487","0.039","","","0.0914","0.0974","","","","","","1.044","","","","has coordinates,has Fobs","199343","2020-10-21","18:00:00",""
"2242358","11.6906","0.0004","13.2597","0.0003","12.6351","0.0004","90","","112.829","0.004","90","","1805.19","0.11","100","2","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","Poly[[tetra-μ~3~-iodido-μ~2~-iodido-bis(μ~3~-piperidine-1-dithiocarbamato)propionitrilepentacopper(I)nickel(II)] chloroform monosolvate]","","- C16 H26 Cl3 Cu5 I5 N3 Ni S4 -","- C16 H26 Cl3 Cu5 I5 N3 Ni S4 -","- C32 H52 Cl6 Cu10 I10 N6 Ni2 S8 -","2","0.5","IS5484","Himoto, Kento; Horii, Toshiya; Oda, Shoki; Suzuki, Shimpei; Sugimoto, Kunihisa; Okubo, Takashi; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi","Crystal structure of a new mixed-metal coordination polymer consisting of Ni^II^ piperidine-dithiocarbamate and pentanuclear Cu^I^—I cluster units","Acta Crystallographica Section E","2018","74","2","233","236","10.1107/S2056989018000750","","","0.71073","MoKα","","0.025","0.0206","","","0.0467","0.048","","","","","","1.021","","","","has coordinates,has Fobs","205879","2020-10-21","18:00:00",""
"2242763","9.6753","0.001","7.0072","0.0006","15.3749","0.0013","90","","93.425","0.007","90","","1040.51","0.17","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-[(3-chloro-4-methylphenylimino)methyl]phenol","","- C22 H28 Cl N O -","- C22 H28 Cl N O -","- C44 H56 Cl2 N2 O2 -","2","0.5","XU5948","Kansiz, Sevgi; Macit, Mustafa; Dege, Necmi; Pavlenko, Vadim A.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-[(3-chloro-4-methylphenylimino)methyl]phenol","Acta Crystallographica Section E","2018","74","12","1887","1890","10.1107/S2056989018016377","","","0.71073","MoKα","","0.0923","0.0531","","","0.1523","0.1681","","","","","","1.003","","","","has coordinates,has Fobs","212312","2020-10-21","18:00:00",""
"2243558","3.907","0.0017","5.7872","0.0017","11.317","0.005","90","","94.03","0.02","90","","255.25","0.18","240","2","240","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Potassium propionate","Poly[(μ~5~-propanoato)potassium(I)]","","- C3 H5 K O2 -","- C3 H5 K O2 -","- C6 H10 K2 O4 -","2","0.5","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0656","0.0505","","","0.0852","0.0872","","","","2.24","2.24","2.07","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243624","6.6482","0.0004","27.1709","0.0018","9.1322","0.0006","90","","101.07","0.0012","90","","1618.92","0.18","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[2,2'-(Pyridin-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]carbonylnickel(II)","Carbonyl{2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C42 H33 N3 Ni O -","- C42 H33 N3 Ni O -","- C84 H66 N6 Ni2 O2 -","2","0.5","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.068","0.0496","","","0.1123","0.1192","","","","","","1.068","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243941","5.3708","0.0001","15.22","0.0002","11.8014","0.0001","90","","99.076","0.001","90","","952.61","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II)","","- C16 H20 Co N6 S2 -","- C16 H20 Co N6 S2 -","- C32 H40 Co2 N12 S4 -","2","0.5","HB7987","Krebs, Christoph; Jess, Inke; Näther, Christian","Comparison of the crystal structures of the low- and high-temperature forms of bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II)","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010422","","x-ray","1.54184","CuKα","","0.0238","0.0237","","","0.067","0.0671","","","","","","1.135","","","","has coordinates,has Fobs","270046","2021-10-20","02:24:10",""
"2243980","6.5807","0.0002","12.3447","0.0004","10.7719","0.0004","90","","104.555","0.002","90","","846.99","0.05","103","2","103","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Phosphanetricarbonitrile–1,4-diazabicyclo[2.2.2]octane (1/2)","","- C15 H24 N7 P -","- C15 H24 N7 P -","- C30 H48 N14 P2 -","2","0.5","","Purdy, Andrew P.; Butcher, Ray J.; Klug, Christopher A.","The structures of 1:1 and 1:2 adducts of phosphanetricarbonitrile with 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section E","2021","77","12","1190","1196","10.1107/S2056989021011464","","","0.71073","MoKα","","0.08","0.0492","","","0.0987","0.1093","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","271900","2022-01-06","23:06:12",""
"2243993","8.3507","0.0006","7.3719","0.0005","11.718","0.0008","90","","92.755","0.006","90","","720.53","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,6-Dibromo-2,3,3-trimethyl-3<i>H</i>-indol-1-ium iodide","","- C12 H14 Br2 I N -","- C12 H14 Br2 I N -","- C24 H28 Br4 I2 N2 -","2","0.5","","Konovalova, Irina S.; Shishkina, Svitlana V.; Kobzev, Dmytro; Semenova, Olha; Tatarets, Anatoliy","Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt","Acta Crystallographica Section E","2021","77","12","1203","1207","10.1107/S2056989021011385","","x-ray","0.71073","MoKα","","0.0493","0.0457","","","0.1155","0.1209","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","271912","2022-01-06","23:12:39",""
"2244197","3.8283","0.001","10.972","0.002","6.1096","0.001","90","","93.523","0.002","90","","256.14","0.09","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","4,5-Dimethyl-1,3-dioxol-2-one","","- C5 H6 O3 -","- C5 H6 O3 -","- C10 H12 O6 -","2","0.5","GG4011","Chandrasekaran, Chandru P.; Donahue, James P.","Crystal structure of 4,5-dimethyl-1,3-dioxol-2-one","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009239","","","0.71073","MoKα","","0.0307","0.0299","","","0.0762","0.0771","","","","","","1.104","","","","has coordinates","278545","2022-10-12","02:11:17",""
"2310088","5.36","","5.98","","12.73","","90","","120.57","","90","","351.319","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Mg3 Mn3 (B2 O10)","","- B2 Mg3 Mn3 O10 -","- B2 Mg3 Mn3 O10 -","- B4 Mg6 Mn6 O20 -","2","0.5","","Watanabe, T.; Ito, T.; Takeuchi, Y.","The crystal structures of warwickite, ludwigite and pinakiolite","Acta Crystallographica (1,1948-23,1967)","1950","3","","98","107","10.1107/S0365110X50000252","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310200","27.33","","5.537","","4.87","","90","","90.53","","90","","736.927","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Nb Pt3 -","- Nb Pt3 -","- Nb12 Pt36 -","12","3","","Giessen, B.C.; Grant, N.J.","New intermediate phases in systems of Nb or Ta with Rh, Ir, Pd, or Pt","Acta Crystallographica (1,1948-23,1967)","1964","17","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310331","8.571","","3.804","","9.135","","90","","101.57","","90","","291.786","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Na2 (Ti3 O7)","","- Na2 O7 Ti3 -","- Na2 O7 Ti3 -","- Na4 O14 Ti6 -","2","0.5","","Andersson, S.; Wadsley, A.D.","The crystal structure of Na2 Ti3 O7","Acta Crystallographica (1,1948-23,1967)","1961","14","","1245","1249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148387","2020-10-21","18:00:00",""
"2310335","9.81","","5.65","","4.7","","90","","104.7","","90","","251.978","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pb Cu (S O4) (O H)2","","- Cu H2 O6 Pb S -","- Cu O6 Pb S -","- Cu2 O12 Pb2 S2 -","2","0.5","","Bachmann, H.G.; Zemann, J.","Die Kristallstruktur von Linarit, Pb Cu S O4 (O H)2","Acta Crystallographica (1,1948-23,1967)","1961","14","","747","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310356","6.33","","3.469","","13.86","","90","","93.917","","90","","303.638","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Mo Te2 -","- Mo Te2 -","- Mo4 Te8 -","4","1","","Brown, B.E.","The crystal structures of W Te2 and high-temperature Mo Te2","Acta Crystallographica (1,1948-23,1967)","1966","20","","268","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310405","9.09","","3.887","","17.705","","90","","108.2","","90","","594.272","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- In6 S7 -","- In6 S7 -","- In12 S14 -","2","0.5","","Hogg, J.H.C.; Duffin, W.J.","The crystal structure of In6 S7","Acta Crystallographica (1,1948-23,1967)","1967","23","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310462","6.772","","17.50999","","7.744","","90","","94.3","","90","","915.681","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sr (Al1.98 Si6.02 O16) (H2 O)4.9","","- Al1.98 H9.8 O20.9 Si6.02 Sr -","- Al1.98 O20.9 Si6.02 Sr -","- Al3.96 O41.8 Si12.04 Sr2 -","2","0.5","","Perrotta, A.J.; Smith, J.V.","The crystal structure of brewsterite, (Sr, Ba, Ca) Al2 Si6 O16 (H2 O)5","Acta Crystallographica (1,1948-23,1967)","1964","17","","857","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310518","8.734","","4.118","","7.718","","90","","105.26","","90","","267.803","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs0.9 (U O2) O Cl0.9","","- Cl0.9 Cs0.9 O3 U -","- Cl0.9 Cs0.9 O3 U -","- Cl1.8 Cs1.8 O6 U2 -","2","0.5","","Allpress, J.G.; Wadsley, A.D.","The Crystal Structure of Cesium Uranyl Oxychloride Cs0.9 (U O2) O Cl0.9","Acta Crystallographica (1,1948-23,1967)","1964","17","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310529","5.473","","6.372","","3.416","","90","","90","","90","","119.129","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ag N C O","","- C Ag N O -","- C Ag N O -","- C2 Ag2 N2 O2 -","2","0.5","","Britton, D.; Dunitz, J.D.","The Crystal Structure of Silver cyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","424","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310569","8.67","","6.7","","4.75","","90","","96.4","","90","","274.203","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Co S O4","","- Co O4 S -","- Co O4 S -","- Co2 O8 S2 -","2","0.5","","Dunitz, J.D.","Polymorphism in anhydrous cobalt sulphate","Acta Crystallographica (1,1948-23,1967)","1965","18","","737","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310629","6.936","","6.166","","7.548","","90","","102.61","","90","","315.022","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","K2 (S2 O5)","","- K2 O5 S2 -","- K2 O5 S2 -","- K4 O10 S4 -","2","0.5","","Lindqvist, I.; Moertsell, M.","The structure of potassium pyrosulfite and the nature of the pyrosulfite ion","Acta Crystallographica (1,1948-23,1967)","1957","10","","406","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","151274","2020-10-21","18:00:00",""
"2310683","6.62","","15.59","","11.31","","90","","90.01","","90","","1167.26","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Co2 (C O)8","","- C8 Co2 O8 -","- C8 Co2 O8 -","- C32 Co8 O32 -","4","1","","Sumner, G.G.; Klug, H.P.","The crystal structure of dicobalt octacarbonyl","Acta Crystallographica (1,1948-23,1967)","1964","17","","732","742","","","","","","","","","","","","","","","","","","","","","","has coordinates","151720","2020-10-21","18:00:00",""
"2310690","6.68","","3.6","","12.03","","90","","107.83","","90","","275.402","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Li V3 O8","","- Li O8 V3 -","- Li O8 V3 -","- Li2 O16 V6 -","2","0.5","","Wadsley, A.D.","Crystal chemistry of non-stoichiometric pentavalent vanadium O crystal structure of Li(1+X) V3 O8","Acta Crystallographica (1,1948-23,1967)","1957","10","","261","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310820","3.345","","3.445","","6.08","","90","","109.9","","90","","65.879","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Na (O H)","","- H Na O -","- H Na O -","- H2 Na2 O2 -","2","0.5","","Bleif, H.J.; Dachs, H.","Crystalline modifications and structural phase transitions of Na O H and Na O D","Acta Crystallographica A (24,1968-38,1982)","1982","38","","470","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310868","8.96","","5.63","","10.3","","90","","115.4","","90","","469.356","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ca2 Fe Al2 Si3 O12 O H","","- Al2 Ca2 Fe H O13 Si3 -","- Al2 Ca2 Fe O13 Si3 -","- Al4 Ca4 Fe2 O26 Si6 -","2","0.5","","Ito, T.; Morimoto, N.; Sadanaga, R.","On the Structure of Epidote","Acta Crystallographica (1,1948-23,1967)","1954","7","","53","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310906","5.537","","4.87","","27.33","","90","","90","","90","","736.959","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Nb Pt3 -","- Nb Pt3 -","- Nb12 Pt36 -","12","3","","Giessen, B.C.; Grant, N.J.","New intermediate phases in systems of Nb with Rh, Ir, Pd, or Pt","Acta Crystallographica (1,1948-23,1967)","1964","17","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311175","6.0793","0.0006","18.879","0.002","8.575","0.0009","90","","100.747","0.005","90","","966.9","0.17","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,3-Bis[(5-aminofuran-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium hexafluorophosphate","","- C16 H21 F6 N2 O2 P -","- C16 H21 F6 N2 O2 P -","- C32 H42 F12 N4 O4 P2 -","2","0.5","HG5332","Akkurt, Mehmet; Akkoç, Senem; Gök, Yetkin; Tahir, Muhammad Nawaz","1,3-Bis[(5-amino-furan-2-yl)meth-yl]-3,4,5,6-tetra-hydro-pyrimidin-1-ium hexa-fluoro-phosphate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1325","","10.1107/S1600536813020187","","","0.71073","MoKα","","0.1077","0.0767","","","0.2139","0.2473","","","","","","1.075","","","","has coordinates","245647","2020-10-21","18:00:00",""
"2311348","5.97796","0.00017","15.096","0.0004","5.32067","0.00019","90","","93.9341","0.0013","90","","479.02","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","dirubidium hydrogen citrate","Dirubidium hydrogen citrate","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","VN2120","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","1.82","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311349","5.978","","15.0961","","5.3207","","90","","93.9354","","90","","479.032","","300","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","","","","","","","","","","","","","","","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311722","6.574","0.003","14.156","0.007","6.595","0.003","90","","93.87","0.04","90","","612.3","0.5","365","","365","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 Cl4 Fe N -","- C8 Cl8 Fe2 N2 -","2","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.133","0.119","","0.2057","0.2006","0.2055","","","","","","1.045","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2312435","6.5888","0.0004","5.3664","0.0003","8.5293","0.0005","90","","105.389","0.006","90","","290.77","0.03","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B2 K O6 Sr Y -","- B2 K O6 Sr Y -","- B4 K2 O12 Sr2 Y2 -","2","0.5","","Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.","Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S205252062400177X","","","0.71073","MoKα","","0.0473","0.0433","","","0.1153","0.1184","","","","","","0.935","","","","has coordinates,has Fobs","290607","2024-03-23","03:02:33",""
"2312437","6.594","0.0004","5.3718","0.0003","8.5241","0.0005","90","","105.39","0.007","90","","291.11","0.03","305","2","305","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B2 K O6 Sr Y -","- B2 K O6 Sr Y -","- B4 K2 O12 Sr2 Y2 -","2","0.5","","Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.","Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S205252062400177X","","","0.71073","MoKα","","0.07","0.0637","","","0.1754","0.1807","","","","","","0.987","","","","has coordinates,has Fobs","290607","2024-03-23","03:02:43",""
"2312568","5.8956","0.0001","18.6224","0.0004","19.9632","0.0004","90","","91.97","0.002","90","","2190.47","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(1-Hydroxyethylidene)anilinium diiodobromide–\ <i>N</i>-phenylacetamide–diiodine (2/2/1)","","- C16 H19 Br0.93 I3.07 N2 O2 -","- C16 H19 Br0.931 I3.069 N2 O2 -","- C64 H76 Br3.724 I12.276 N8 O8 -","4","1","EF3058","Jaconelli, Harry S.; Kennedy, Alan R.","Salt forms of amides: protonation of acetanilide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007332","","","1.54184","CuKα","","0.0564","0.0516","","","0.1466","0.1508","","","","","","1.077","","","","has coordinates,has disorder","294065","2024-08-09","01:46:36",""
"2312574","9.9449","0.0003","14.1246","0.0004","14.3921","0.0004","90","","93.216","0.002","90","","2018.44","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) dibromide","","- C18 H14 Br2 N6 O Zn -","- C18 H14 Br2 N6 O Zn -","- C72 H56 Br8 N24 O4 Zn4 -","4","1","ZO3049","Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.","Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S205322962400737X","","x-ray","1.54184","CuKα","","0.0873","0.0748","","","0.236","0.249","","","","","","1.066","","","","has coordinates,has Fobs","294093","2024-08-13","01:58:11",""
"3000361","6.19","0.003","4.659","0.007","6.2","0.005","90","","113.66","0.08","90","","163.8","0.3","293","2","293","2","","","","","","","","2","P 1 21/m 1","-P 2yb","","CeZn","Cerium Zinc","","- Ce Zn -","","","","","","X.-L. Shen; H. Ma; Dilip Bhoi; J. Gouchi; Y. Uwatoko; A. Dalan; Y. Kawamura; H. Sato; I. Umehara; M. Uehara","Pressure induced superconductivity and multiple structural transitions in CsCl-type cubic CeZn single crystal","To be published in Crystals","","","","","","","","x-ray","0.71073","MoKα","","0.1236","0.1046","","","0.2842","0.2967","","","","","","1.33","","","","","274553","2022-04-15","10:20:21","2023-09-15"
"3000504","3.0493352102","","3.4212053793","","9.3406050997","","90","","93.522","","90","","97.261","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","","","","","- Ca H12 Li2 -","","","","","","Morgan Redington","","To be published in Chemistry of Materials","","","","","","","","","","","","","","","","","","","","","","","","","","","","291908","2024-05-17","13:55:56","2024-11-17"
"3000515","2.8095242286","","3.1151525","","8.798009465","","90","","96.0404","","90","","76.574","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","","","","","- Ca H12 Li2 -","","","","","","Morgan Redington","","To be published in Chemistry of Materials","","","","","","","","","","","","","","","","","","","","","","","","","","","","291919","2024-05-17","14:26:07","2024-11-17"
"3500058","8.2137","0.001","6.0253","0.001","12.282","0.001","90","","100.1","0.001","90","","598.42","0.13","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cr F13 Pb5 -","- Cr F12 Pb5 -","- Cr2 F24 Pb10 -","2","0.5","","Armel Le Bail","Approaching the crystal structure of Pb5CrF13 (a big mess indeed : systematic twinning)","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.1611","0.1057","","","0.2702","0.3216","","","","","","1.052","","","","has coordinates","288183","2023-12-08","14:42:53",""
"3500063","7.9489","0.0004","6.7664","0.0003","10.9689","0.0005","90","","106.406","0.003","90","","565.95","0.05","295","","295","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H13 Mn O8 -","- C6 H13 Mn O8 -","- C12 H26 Mn2 O16 -","2","0.5","","Armel Le Bail","Rietveld refinement of the crystal structure of manganese(III) triacetate dihydrate from x-ray powder diffraction data","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","4.1934","","","","","","","","has coordinates","189308","2020-10-21","18:00:00",""
"3500072","3.8295","0.0002","20.8392","0.0008","10.4262","0.0004","90","","97.142","0.002","90","","825.59","0.06","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane","","- C18 H12 B3 F3 O3 -","- C18 H12 B3 F3 O3 -","- C36 H24 B6 F6 O6 -","2","0.5","","Thierry Maris","2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane","Personal communication to COD","2019","","","","","","","x-ray","1.34139","GaKα","","0.0624","0.0555","","","0.1531","0.1582","","","","","","1.132","","","","has coordinates,has Fobs","245326","2020-10-21","18:00:00",""
"4000049","7.284","0.002","16.032","0.005","19.029","0.009","90","","92.38","0.06","90","","2220.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C20 H36 Cl2 Cu0.5 N -","- C20 H5 Cl2 Cu0.5 N -","- C80 H20 Cl8 Cu2 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1637","0.0832","","","0.2052","0.2422","","","","","","1.032","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000219","4.9387","0.0012","12.06","0.003","8.1856","0.0019","90","","92.045","0.004","90","","487.2","0.2","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H4 Al2 F2 O8.51 P2 -","- C2 H4 Al2 F2 O8.51 P2 -","- C4 H8 Al4 F4 O17.02 P4 -","2","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.6931","synchrotron","","0.1227","0.0886","","","0.2161","0.2352","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000252","4.814","0.004","8.53","0.004","15.214","0.008","90","","99.09","0.1","90","","616.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Cl O6 P2 Sn2 -","- C1.33333 H3.33333 Cl0.333333 O2 P0.666667 Sn0.666667 -","- C8 H20 Cl2 O12 P4 Sn4 -","6","1.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.076","0.0484","","","0.1207","0.1543","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000281","17.568","0.003","4.1924","0.0007","18.499","0.003","90","","90.383","0.003","90","","1362.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi8.01 K Rb Se13 -","- Bi8.004 K1.042 Rb Se13 -","- Bi16.008 K2.084 Rb2 Se26 -","2","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0819","0.0391","","","0.0762","0.0874","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000361","7.4459","0.0001","9.216","0.0001","9.3199","0.0002","90","","104.281","0.001","90","","619.78","0.02","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H2 K0.5 O7.5 P1.5 V Zn0.5 -","- K0.5 O7.5 P1.5 V Zn0.5 -","- K2 O30 P6 V4 Zn2 -","4","1","","","Crystal structures and magnetic properties of the new alkaline zinc oxovanadium phosphates MZn(H2O)(VO)2(PO4)2(H2PO4) with M = K+, Rb+ and Cs+.","Chemistry of Materials","2004","","","","","10.1021/cm031090k","","","0.71073","MoKα","","0.0636","0.0475","","","0.0926","0.0946","","","","","","2.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000363","7.5159","0.0001","9.1994","0.0001","9.5465","0.0002","90","","99.912","0.001","90","","650.21","0.02","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Cs0.5 H2 O7.5 P1.5 V Zn0.5 -","- Cs0.5 O7.5 P1.5 V Zn0.5 -","- Cs2 O30 P6 V4 Zn2 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm031090k","","","0.71073","MoKα","","0.0565","0.0491","","","0.1064","0.1082","","","","","","2.477","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000545","10.5407","0.0002","6.4298","0.0002","10.6172","0.0003","90","","113.89","0.001","90","","657.93","0.03","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Fe0.5 N O3 P -","- C5 H5 Fe0.5 N O3 P -","- C20 H20 Fe2 N4 O12 P4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm049064p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000810","7.798","0.015","7.212","0.014","10.351","0.019","90","","93.97","0.02","90","","580.7","1.9","125","2","125","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cs2 Cu3 F12 Zr -","- Cs2 Cu3 F12 Zr -","- Cs4 Cu6 F24 Zr2 -","2","0.5","","Reisinger, Sandra A.; Tang, Chiu C.; Thompson, Stephen P.; Morrison, Finlay D.; Lightfoot, Philip","Structural Phase Transition in theS=1/2Kagome System Cs2ZrCu3F12and a Comparison to the Valence-Bond-Solid Phase in Rb2SnCu3F12","Chemistry of Materials","2011","23","18","4234","","10.1021/cm201762f","","","0.71073","MoKα","","0.062","0.0489","","","0.1022","0.1087","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001101","7.6492","0.0003","5.258","0.0002","9.0485","0.0003","90","","101.742","0.002","90","","356.31","0.02","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H2 K O9 S2 Ti -","- H2 K O9 S2 Ti -","- H4 K2 O18 S4 Ti2 -","2","0.5","","Nilsen, G. J.; Rønnow, H. M.; Läuchli, A. M.; Fabbiani, F. P. A.; Sanchez-Benitez, J.; Kamenev, K. V.; Harrison, A.","A New Realisation of theS= 1/2 Frustrated Chain Antiferromagnet","Chemistry of Materials","2008","20","1","8","","10.1021/cm7023263","","","0.71073","MoKα","","0.0353","0.0334","","0.0978","0.0947","0.0978","","","","","","1.0474","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001573","11.9343","0.0007","21.222","0.0013","11.9882","0.0007","90","","117.077","0.001","90","","2703.5","0.3","571","2","571","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.43 Te12 -","- Ba3 Cu13.429 Te12 -","- Ba12 Cu53.716 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0596","0.0506","","","0.1111","0.114","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001574","11.9091","0.0018","21.174","0.004","11.9826","0.0018","90","","117.071","0.004","90","","2690.5","0.8","180","2","180","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.65 Te12 -","- Ba3 Cu13.6475 Te12 -","- Ba12 Cu54.59 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0591","0.0451","","","0.0877","0.0919","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001786","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Chen, Hailong; Hao, Qing; Zivkovic, Olivera; Hautier, Geoffroy; Du, Lin-Shu; Tang, Yuanzhi; Hu, Yan-Yan; Ma, Xiaohua; Grey, Clare P.; Ceder, Gerbrand","Sidorenkite (Na3MnPO4CO3): A New Intercalation Cathode Material for Na-Ion Batteries","Chemistry of Materials","2013","25","14","2777","","10.1021/cm400805q","powder diffraction","","0.775192","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002085","5.3028","0.0001","14.7838","0.0003","10.981","0.0002","90","","90.173","0.001","90","","860.86","0.03","200","2","200","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","2","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0528","0.0265","","","0.0655","0.076","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002290","17.22279","","4.2729","","18.4659","","90","","90.72","","90","","1358.82","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Bi6.67 Se13 -","- Ba3 Bi6.6667 Se13 -","- Ba6 Bi13.3334 Se26 -","2","0.5","","Wang, Y.C.; DiSalvo, F.J.","Synthesis and characterization of Ba3 Bi6.67 Se13 and its filled variants Ba3 Bi6 Pb Se13 and Ba3 Bi6 Sn Se13","Chemistry of Materials (1,1989-)","2000","12","","1011","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002291","17.24269","","4.2736","","18.45599","","90","","90.861","","90","","1359.84","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Bi6 Pb Se13 -","- Ba3 Bi6 Pb Se13 -","- Ba6 Bi12 Pb2 Se26 -","2","0.5","","Wang, Y.C.; DiSalvo, F.J.","Synthesis and characterization of Ba3 Bi6.67 Se13 and its filled variants Ba3 Bi6 Pb Se13 and Ba3 Bi6 Sn Se13","Chemistry of Materials (1,1989-)","2000","12","","1011","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002292","17.24979","","4.2912","","18.459","","90","","90.679","","90","","1366.28","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ba3 Bi6 Sn Se13","","- Ba3 Bi6 Se13 Sn -","- Ba3 Bi5.99 Se13 Sn1.01 -","- Ba6 Bi11.98 Se26 Sn2.02 -","2","0.5","","Wang, Y.C.; DiSalvo, F.J.","Synthesis and characterization of Ba3 Bi6.67 Se13 and its filled variants Ba3 Bi6 Pb Se13 and Ba3 Bi6 Sn Se13","Chemistry of Materials (1,1989-)","2000","12","","1011","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002337","13.4931","","4.1558","","24.876","","90","","96.571","","90","","1385.75","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb2 Bi8 Se13","","- Bi8 Rb2 Se13 -","- Bi8 Rb2 Se13 -","- Bi16 Rb4 Se26 -","2","0.5","","Iordanidis, L.; Kyratsi, T.; Brazis, P.W.; Ireland, J.; Ghelani, N.; Kannewurf, C.R.; Lane, M.; Chen, W.; Uher, C.; Kanatzidis, M.G.; Hogan, T.; Dyck, J.S.","A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","147610","2020-10-21","18:00:00",""
"4002338","13.704","","4.1532","","25.008","","90","","96.848","","90","","1413.19","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs2 Bi8 Se13","","- Bi8 Cs2 Se13 -","- Bi8 Cs2 Se13 -","- Bi16 Cs4 Se26 -","2","0.5","","Iordanidis, L.; Brazis, P.W.; Kyratsi, T.; Ireland, J.; Lane, M.; Kannewurf, C.R.; Dyck, J.S.; Ghelani, N.; Chen, W.; Uher, C.; Hogan, T.; Kanatzidis, M.G.","A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","147612","2020-10-21","18:00:00",""
"4002473","9.6544","","8.5207","","6.6737","","90","","100.741","","90","","539.375","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Y Fe (Ge2 O7)","","- Fe Ge2 O7 Y -","- Fe Ge2 O7 Y -","- Fe4 Ge8 O28 Y4 -","4","1","","Cascales, C.; Fernandez-Diaz, M.T.; Monge, M.A.; Bucio, L.","Crystal structure and low-temperature magnetic ordering in rare earth iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb","Chemistry of Materials (1,1989-)","2002","14","","1995","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002474","9.64","","8.4753","","6.7122","","90","","100.515","","90","","539.19","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dy Fe (Ge2 O7)","","- Dy Fe Ge2 O7 -","- Dy Fe Ge2 O7 -","- Dy4 Fe4 Ge8 O28 -","4","1","","Cascales, C.; Monge, M.A.; Fernandez-Diaz, M.T.; Bucio, L.","Crystal structure and low-temperature magnetic ordering in rare earth iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb","Chemistry of Materials (1,1989-)","2002","14","","1995","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002475","9.6557","","8.5444","","6.6336","","90","","101.125","","90","","537.002","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Tm Fe (Ge2 O7)","","- Fe Ge2 O7 Tm -","- Fe Ge2 O7 Tm -","- Fe4 Ge8 O28 Tm4 -","4","1","","Cascales, C.; Fernandez-Diaz, M.T.; Monge, M.A.; Bucio, L.","Crystal structure and low-temperature magnetic ordering in rare earth iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb","Chemistry of Materials (1,1989-)","2002","14","","1995","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002476","9.6672","","8.5558","","6.6253","","90","","101.321","","90","","537.321","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Yb Fe (Ge2 O7)","","- Fe Ge2 O7 Yb -","- Fe Ge2 O7 Yb -","- Fe4 Ge8 O28 Yb4 -","4","1","","Cascales, C.; Monge, M.A.; Fernandez-Diaz, M.T.; Bucio, L.","Crystal structure and low-temperature magnetic ordering in rare earth iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb","Chemistry of Materials (1,1989-)","2002","14","","1995","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002527","9.5724","","7.1632","","9.978","","90","","108.816","","90","","647.618","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Ga (N H3 (C H2)3 N H3) (P2 O7) F (H2 O)3","","- C3 H18 F Ga N2 O10 P2 -","- C3 F Ga N2 O10 P2 -","- C6 F2 Ga2 N4 O20 P4 -","2","0.5","","Millange, F.; Walton, R.I.; Guillou, N.; Ferey, G.; O'Hare, D.; Loiseau, T.","Synthesis and structure of low-dimensional gallium fluorodiphosphates seen during the crystallization of the three-dimensional microporous gallium fluorophosphate ULM-3","Chemistry of Materials (1,1989-)","2002","14","","4448","4459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002550","6.5092","","3.18231","","9.3548","","90","","105.443","","90","","186.782","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Mo2 Sb S2","","- Mo2 S2 Sb -","- Mo2 S2 Sb -","- Mo4 S4 Sb2 -","2","0.5","","Lee Chishen; Safa-Sefat, A.; Greedan, J.E.; Kleinke, H.","Syntehsis, structure and physical properties of mixed valent Mo2 Sb S2, the first superconducting antimonide-sulfide","Chemistry of Materials (1,1989-)","2003","15","","780","786","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002836","16.475","0.004","24.378","0.005","29.61","0.006","90","","102.95","0.003","90","","11590","4","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C180 H150 Au23 Br7 P10 Pd2 -","- C180 H150 Au23 Br7 P10 Pd2 -","- C360 H300 Au46 Br14 P20 Pd4 -","2","0.5","","Kang, Xi; Xiang, Ji; Lv, Ying; Du, Wenjun; Yu, Haizhu; Wang, Shuxin; Zhu, Manzhou","Synthesis and Structure of Self-Assembled Pd2Au23(PPh3)10Br7 Nanocluster: Exploiting Factors That Promote Assembly of Icosahedral Nano-Building-Blocks","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b02015","","","0.71073","MoKα","","0.1665","0.0809","","","0.1441","0.1696","","","","","","0.909","","","","has coordinates","199720","2020-10-21","18:00:00",""
"4002989","6.112","0.002","7.781","0.003","6.88","0.003","90","","91.147","0.009","90","","327.1","0.2","280","2","280","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li3.83 P0.2 S4 Si0.8 -","- Li3.82 P0.2 S4 Si0.8 -","- Li7.64 P0.4 S8 Si1.6 -","2","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.065","0.048","","","0.1146","0.1216","","","","","","1.117","","","","has coordinates","220413","2020-10-21","18:00:00",""
"4003014","9.313","0.002","7.0555","0.0014","14.116","0.003","90","","97.977","0.004","90","","918.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H23 Cl2 N5 O3 Ru S -","- C13 H7 Cl2 N5 O3 Ru S -","- C26 H14 Cl4 N10 O6 Ru2 S2 -","2","0.5","","Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng","Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching","Chemistry of Materials","2019","31","13","4927","","10.1021/acs.chemmater.9b01738","","","0.41328","synchrotron","","0.0656","0.0543","","","0.1368","0.1449","","","","","","1.061","","","","has coordinates,has disorder","220437","2020-10-21","18:00:00",""
"4003122","12.2606","0.0007","4.3331","0.0002","12.5","0.0008","90","","101.398","0.006","90","","650.98","0.06","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Br3 H2 O Pb1.5 -","- Br3 H2 O Pb1.5 -","- Br12 H8 O4 Pb6 -","4","1","","Liu, Mei; Zhao, Jiangtao; Luo, Zhenlin; Sun, Zhihu; Pan, Nan; Ding, Huaiyi; Wang, Xiaoping","Unveiling Solvent-Related Effect on Phase Transformations in CsBr‒PbBr2 System: Coordination and Ratio of Precursors","Chemistry of Materials","2018","30","17","5846","","10.1021/acs.chemmater.8b00537","","","0.71073","MoKα","","0.1218","0.0811","","","0.1895","0.226","","","","","","1.05","","","","has coordinates","226227","2020-10-21","18:00:00",""
"4003130","7.641","0.002","4.0199","0.0011","9.013","0.003","90","","113.764","0.009","90","","253.37","0.13","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu O Sb Se2 Sr -","- Cu O Sb Se2 Sr -","- Cu2 O2 Sb2 Se4 Sr2 -","2","0.5","","Bu, Kejun; Huang, Jian; Luo, Mengjia; Guan, Mengjia; Zheng, Chong; Pan, Jie; Zhang, Xian; Wang, Sishun; Zhao, Wei; Shi, Xun; Xu, Li; Huang, Fuqiang","Observation of High Seebeck Coefficient and Low Thermal Conductivity in [SrO]-Intercalated CuSbSe2 Compound","Chemistry of Materials","2018","30","16","5539","","10.1021/acs.chemmater.8b02651","","","0.71073","MoKα","","0.0743","0.0392","","","0.0605","0.0668","","","","","","0.991","","","","has coordinates","226234","2020-10-21","18:00:00",""
"4003554","11.7951","0.0011","7.8822","0.0007","11.8001","0.0011","90","","101.304","0.002","90","","1075.79","0.17","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 I3 N Pb -","- C12 H12 I3 N Pb -","- C24 H24 I6 N2 Pb2 -","2","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.1407","0.0554","","","0.1416","0.1769","","","","","","1.028","","","","has coordinates,has disorder","252250","2020-10-21","18:00:00",""
"4003644","10.009","0.004","16.663","0.008","14.61","0.006","90","","106.65","0.03","90","","2334.5","1.8","100","2","100.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H16 Cl2.667 N12 Zn3.267 -","- C24 H16 Cl2.66667 N12 Zn3.26667 -","- C72 H48 Cl8 N36 Zn9.8 -","3","0.75","","Mian, Mohammad Rasel; Islamoglu, Timur; Afrin, Unjila; Goswami, Subhadip; Cao, Ran; Kirlikovali, Kent O.; Hall, Morgan G.; Peterson, Gregory W.; Farha, Omar K.","Catalytic Degradation of an Organophosphorus Agent at Zn‒OH Sites in a Metal‒Organic Framework","Chemistry of Materials","2020","32","16","6998","7004","10.1021/acs.chemmater.0c02373","","","1.54184","CuKα","","0.0973","0.084","","","0.232","0.2464","","","","","","1.0994","","","","has coordinates","257101","2020-10-21","18:00:00",""
"4003694","8.0589","0.0009","8.0388","0.0009","19.876","0.002","90","","101.719","0.004","90","","1260.8","0.2","298","2","298.02","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0884","0.056","","","0.1347","0.1478","","","","","","1.066","","","","has coordinates,has disorder","258234","2020-10-21","18:00:00",""
"4020035","11.9778","0.0013","7.1149","0.0008","14.3189","0.0016","90","","99.461","0.002","90","","1203.7","0.2","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","N-[5-Bromo-3-methyl-thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide","","- C9 H13 Br N2 O S -","- C9 H13 Br N2 O S -","- C36 H52 Br4 N8 O4 S4 -","4","1","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0571","0.041","","","0.1151","0.1268","","","","","","1.06","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020234","8.8905","0.0007","7.0693","0.0006","9.3375","0.0007","90","","98.594","0.002","90","","580.27","0.08","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","fluorobenzoyl chloride * GaCl3","","","- C7 H4 Cl4 F Ga O -","- C7 H4 Cl4 F Ga O -","- C14 H8 Cl8 F2 Ga2 O2 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020239","8.9723","0.0005","7.1793","0.0004","10.5981","0.0006","90","","103.835","0.001","90","","662.87","0.06","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","benzoyl chloride*SbCl5","","","- C7 H5 Cl6 O Sb -","- C7 H5 Cl6 O Sb -","- C14 H10 Cl12 O2 Sb2 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020293","8.3057","0.0019","10.161","0.002","11.493","0.003","90","","98.305","0.004","90","","959.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","0.5","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020523","8.6162","0.001","22.137","0.003","12.4884","0.0014","90","","93.563","0.002","90","","2377.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22.5 H12.5 O S5.5 -","- C21.5 H12.5 O S5.5 -","- C86 H50 O4 S22 -","4","1","","Yu-Long Zhao; Qun Liu; Jing-Ping Zhang; Zhi-Qiang Liu","Heteroatom-Substituted Expanded Radialenes: One-Pot Synthesis and Characterization of Expanded 1,3-Dithiolane[n]radialenes","Journal of Organic Chemistry","2005","70","","6913","6917","10.1021/jo050993p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020706","8.118","0.0003","20.8664","0.0008","8.9972","0.0003","90","","108.976","0.005","90","","1441.24","0.09","173","","173","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H27 N4 O5 P -","- C32 H27 N4 O5 P -","- C64 H54 N8 O10 P2 -","2","0.5","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4021080","11.307","0.002","6.9899","0.0014","12.56","0.003","90","","104.97","0.03","90","","959","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H19 F3 N2 O -","- C23 H19 F3 N2 O -","- C46 H38 F6 N4 O2 -","2","0.5","","Xuefeng Guo; Yucheng Zhou; Deqing Zhang; Bing Yin; Zhiliang Liu; Caiming Liu; Zhengliang Lu; Yuanhe Huang; Daoben Zhu","7-Trifluoromethylquinoline-Functionalized Luminescent Photochromic Spiropyran with the Stable Merocyanine Species Both in Solution and in the Solid State","Journal of Organic Chemistry","2004","69","","8924","8931","10.1021/jo0487799","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021163","10.575","0.002","15.203","0.003","18.436","0.004","90","","91.464","0.004","90","","2963","1","150","2","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H29.5 Br2 N8 O3.75 -","- C26 H22 Br2 N8 O3.75 -","- C104 H88 Br8 N32 O15 -","4","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021371","6.3437","0.0017","6.455","0.0018","10.061","0.003","90","","98.465","0.004","90","","407.52","0.19","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","0.5","","Cheol-Min Park","Concise Synthesis of 3,7-Dioxa-9-aza-bicyclo[3,3,1]-nonane","Journal of Organic Chemistry","2006","71","","413","415","10.1021/jo051982z","","","0.71073","MoKα","","0.0476","0.0445","","","0.1123","0.1145","","","","","","1.118","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4022185","14.1116","0.0014","17.7254","0.0017","14.209","0.0015","90","","117.54","0.002","90","","3151.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C69 H38 Cl2 F16 N4 O2 Zn -","- C69 H38 Cl2 F16 N4 O2 Zn -","- C138 H76 Cl4 F32 N8 O4 Zn2 -","2","0.5","","Chao Liu; Dong-Mei Shen; Zhuo Zeng; Can-Cheng Guo; Qing-Yun Chen","C-F Bond Activation by Modified Sulfinatodehalogenation: Facile Synthesis and Properties of Novel Tetrafluorobenzoporphyrins by Direct Intramolecular Cyclization and Reductive Defluorinative Aromatization of Readily Available β-Perfluoroalkylated Porphyrins","Journal of Organic Chemistry","2006","71","","9772","9783","10.1021/jo061743r","","","0.71073","MoKα","","0.1268","0.0832","","","0.2445","0.2722","","","","","","1.006","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022252","3.777","0.0001","9.4807","0.0002","8.2024","0.0002","90","","98.348","0.001","90","","290.604","0.012","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","diazetine","3-Methyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C10 H10 N6 O4 -","2","0.5","","Gary W. Breton; Kenneth L. Martin","Are 1,2-Dihydrodiazetes Aromatic? An Experimental and Computational Investigation","Journal of Organic Chemistry","2002","67","","6699","6704","10.1021/jo026082m","","","0.71073","MoKα","","0.0607","0.0318","","","0.0827","0.0848","","","","","","0.686","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022355","11.2043","0.0006","15.275","0.002","14.901","0.001","90","","96.4206","0.0009","90","","2534.3","0.4","230.2","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 O9 S4 -","- C43.4 H52.6 O9.5 S4 -","- C86.8 H105.2 O19 S8 -","2","0.5","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0601","","","","0.0754","","","","","","2.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022563","11.1489","0.0013","22.831","0.003","13.336","0.0013","90","","103.368","0.003","90","","3302.6","0.6","90","1","90","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C76 H75 N8 O11 -","- C76 H75 N8 O11 -","- C152 H150 N16 O22 -","2","0.5","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.0851","0.0633","","","0.1564","0.1759","","","","","","1.057","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022714","10.063","0.005","10.356","0.005","12.085","0.006","90","","111.333","0.007","90","","1173.1","1","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C26 H30 Cl N3 -","- C26 H30 Cl N3 -","- C52 H60 Cl2 N6 -","2","0.5","","Laura D. Shirtcliff; Michael M. Haley; Rainer Herges","CuCl-Induced Formation and Migration of Isoindazolyl Carbenoids","Journal of Organic Chemistry","2007","72","","2411","2418","10.1021/jo0622274","","","0.71073","MoKα","","0.1687","0.0715","","","0.1227","0.156","","","","","","0.973","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022972","7.678","0.0008","6.5331","0.0007","8.0416","0.0009","90","","94.255","0.002","90","","402.26","0.08","295","1","295","1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 O5 -","- C8 H8 O5 -","- C16 H16 O10 -","2","0.5","","Jinhua Song; Yi Xiong Lei; Zvi Rappoport","The First Solid Enols of Anhydrides. Structure, Properties, and Enol/Anhydride Equilibria","Journal of Organic Chemistry","2007","72","","9152","9162","10.1021/jo071206m","","","0.71073","MoKα","","0.0662","0.0557","","","0.1455","0.1545","","","","","","1.057","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4023862","12.349","0.0014","17.171","0.0018","13.4281","0.0015","90","","91.906","0.003","90","","2845.8","0.5","153","2","153","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C93 H26 Br6 -","- C93 H25 Br6 -","- C186 H50 Br12 -","2","0.5","","Paris E. Georghiou; Louise N. Dawe; Huu-Anh Tran; Jörg Struübe; Beate Neumann; Hans-Georg Stammler; Dietmar Kuck","C~3v~Symmetrical Tribenzotriquinacenes as Hosts for C~60~ and C~70~ in Solution and in the Solid State","Journal of Organic Chemistry","2008","73","","9040","9047","10.1021/jo801782z","","","0.7107","MoKα","","0.0744","0.0655","","","0.1671","0.1748","","","","","","1.085","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4024122","10.332","0.002","6.883","0.001","10.983","0.002","90","","116.71","0.02","90","","697.7","0.2","293","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H7 N3 S2 -","- C15 H7 N3 S2 -","- C30 H14 N6 S4 -","2","0.5","","Silvia Alías; Raquel Andreu; María Jesús Blesa; Santiago Franco; Javier Garín; Aurora Gragera; Jesús Orduna; Pilar Romero; Belén Villacampa; Magali Allain","Synthesis, Structure, and Optical Properties of 1,4-Dithiafulvene-Based Nonlinear Optic-phores","Journal of Organic Chemistry","2007","72","","6440","6446","10.1021/jo070694v","","x-ray","0.71073","MoKα","","","0.0411","","","","0.0878","","","","","","0.88","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024346","8.4404","0.0013","6.8469","0.001","10.5269","0.0016","90","","104.712","0.003","90","","588.41","0.15","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","00437a","","","- C14 H20 B N -","- C14 H20 B N -","- C28 H40 B2 N2 -","2","0.5","","Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov","1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds","Journal of Organic Chemistry","2009","74","","1709","1720","10.1021/jo802504c","","","0.71073","MoKα","","0.0555","0.0466","","","0.1223","0.1317","","","","","","1.095","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024839","7.3767","0.0013","6.8003","0.0012","12.369","0.002","90","","91.419","0.003","90","","620.3","0.19","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H10 O4 S2 -","- C13 H10 O4 S2 -","- C26 H20 O8 S4 -","2","0.5","","Neta Shefer; Tal Harel; Shlomo Rozen","Synthesis of Oxygenated Fused Oligothiophenes with HOF.CH3CN","Journal of Organic Chemistry","2009","74","","6993","6998","10.1021/jo901106j","","","0.71073","MoKα","","0.0618","0.0575","","","0.1204","0.1226","","","","","","1.236","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4025040","9.856","0.002","7.3947","0.0018","11.096","0.002","90","","101.068","0.018","90","","793.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","0.5","","Jui-Chi Tsai; Sie-Rong Li; Michael Y. Chiang; Lian-Yeu Chen; Po-Yuan Chen; Yi-Fang Lo; Chen-Hao Wang; Chun-Nan Lin; Eng-Chi Wang","Synthesis of 3-Alkoxymethylcoumarin from 3-Cyanochromene via a Novel Intermediate 2-Phenylimino-3-alkoxymethylchromene","Journal of Organic Chemistry","2009","74","","8798","8801","10.1021/jo9015634","","","0.71073","MoKα","","0.0536","0.0409","","","0.1224","0.1332","","","","","","1.069","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025156","8.6897","0.0014","19.734","0.003","9.1977","0.0015","90","","94.59","0.001","90","","1572.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H29 N2 O P S -","- C41 H29 N2 O P S -","- C82 H58 N4 O2 P2 S2 -","2","0.5","","Takashi Nakabuchi; Makoto Nakashima; Shinya Fujishige; Haruyuki Nakano; Yoshihiro Matano; Hiroshi Imahori","Synthesis and Reactions of Phosphaporphyrins: Reconstruction of π-Skeleton Triggered by Oxygenation of a Core Phosphorus Atom","Journal of Organic Chemistry","2010","75","","375","389","10.1021/jo902060b","","","0.7107","MoKα","","0.0413","0.0394","","","0.087","0.0884","","","","","","1.042","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025938","11.1774","0.00011","7.41636","0.00011","17.15108","0.00017","90","","101.722","0.001","90","","1392.1","0.03","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C60 H68 Br4 O12 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0559","0.0488","","","0.0994","0.1012","","","","","","1.295","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4026135","18.845","0.005","13.192","0.003","19.392","0.005","90","","117.468","0.003","90","","4277.4","1.9","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C69 H60 N12 O6 -","- C69 H60 N12 O6 -","- C138 H120 N24 O12 -","2","0.5","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.71073","MoKα","","0.0817","0.0644","","","0.1842","0.194","","","","","","1.058","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026173","11.9102","0.0005","19.4178","0.0009","14.6074","0.0007","90","","91.028","0.002","90","","3377.7","0.3","223","2","223","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C22 H17 Br -","- C22 H17 Br -","- C176 H136 Br8 -","8","2","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0534","0.0462","","","0.1215","0.127","","","","","","1.033","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4027822","6.497","","6.727","","9.434","","90","","92.69","","90","","411.862","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K2 Au (P S4)","","- Au K2 P S4 -","- Au K2 P S4 -","- Au2 K4 P2 S8 -","2","0.5","","Loeken, S.; Tremel, W.","K2 Au P S4, Tl2 Au P S4, K2 Au As S4 and K Au5 P2 S8: syntheses, structures, and properties of quaternary gold thiophosphate and thioarsenate compounds","European Journal of Inorganic Chemistry","1998","1998","","283","289","10.1002/(SICI)1099-0682(199802)1998:2<283::AID-EJIC283>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027823","6.459","","6.669","","9.193","","90","","93.84","","90","","395.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Tl2 Au (P S4)","","- Au P S4 Tl2 -","- Au P S4 Tl2 -","- Au2 P2 S8 Tl4 -","2","0.5","","Tremel, W.; Loeken, S.","K2 Au P S4, Tl2 Au P S4, K2 Au As S4 and K Au5 P2 S8: syntheses, structures, and properties of quaternary gold thiophosphate and thioarsenate compounds","European Journal of Inorganic Chemistry","1998","1998","","283","289","10.1002/(SICI)1099-0682(199802)1998:2<283::AID-EJIC283>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029257","14.794","0.019","32.47","0.05","17.79","0.03","90","","100.281","0.016","90","","8408","2","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C182 H94 N14 O4 S2 -","- C182 H96 N14 O4 S2 -","- C364 H192 N28 O8 S4 -","2","0.5","","Sakaguchi, Ken-Ichi; Kamimura, Takuya; Uno, Hidemitsu; Mori, Shigeki; Ozako, Shuwa; Nobukuni, Hirofumi; Ishida, Masatoshi; Tani, Fumito","Phenothiazine-bridged cyclic porphyrin dimers as high-affinity hosts for fullerenes and linear array of c60 in self-assembled porphyrin nanotube.","The Journal of organic chemistry","2014","79","7","2980","2992","10.1021/jo500034f","","","0.71041","synchrotron","","0.1729","0.0832","","","0.2156","0.2384","","","","","","1.068","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029462","8.5927","0.001","12.5125","0.0011","9.8811","0.0011","90","","107.977","0.013","90","","1010.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H31 Cl2 O P -","- C26 H31 Cl2 O P -","- C52 H62 Cl4 O2 P2 -","2","0.5","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0444","0.0361","","","0.109","0.114","","","","","","0.921","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029785","8.0309","0.0017","14.995","0.003","9.5461","0.0019","90","","106.162","0.004","90","","1104.1","0.4","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H35 B F3 N -","- C23 H35 B F3 N -","- C46 H70 B2 F6 N2 -","2","0.5","","Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P.","CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃.","Beilstein journal of organic chemistry","2010","6","","709","712","10.3762/bjoc.6.82","","","0.71073","MoKα","","0.0889","0.0647","","","0.1772","0.188","","","","","","1.363","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4030183","7.305","0.002","19.265","0.004","13.648","0.003","90","","117.77","0.02","90","","1699.5","0.8","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Br3 Nb3 Se10 -","- Br3 Nb3 Se10 -","- Br12 Nb12 Se40 -","4","1","","Grenouilleau, Philippe; Guemas, Louisette; Meerschaut, Alain","Un nouvel exemple de polymorphisme dans un compose de basse dimensionnalite : Nb3Se10Br3","European Journal of Solid State and Inorganic Chemistry","1988","25","","341","350","","","x-ray","0.71069","MoKα","","","0.074","","","0.087","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030244","6.488","0.002","3.962","0.002","7.77","0.004","90","","99.96","0.01","90","","196.72","0.15","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H2 La N O5 -","- La N O5 -","- La2 N2 O10 -","2","0.5","","Louer, M.; Louer, D.; Lopez Delgado, A.; Garcia Martinez, O.","The structures of lanthanum hydroxide nitrates investigated by the Rietveld profile refinement technique","European Journal of Solid State and Inorganic Chemistry","1989","26","","241","253","","powder diffraction","x-ray","1.5406","CuKα","","","0.069","","","","","","0.091","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030267","6.922","0.002","11.286","0.003","8.713","0.002","90","","98.21","0.04","90","","673.7","0.3","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H21 Cl Pt -","- C12 Cl Pt -","- C24 Cl2 Pt2 -","2","0.5","","Rockensuss, W.; Roeski, H. W.; Gilje, J. W.; Noltemeyer, M.","Synthesis and structure of new n5-pentamethylcyclopentadienyldimethylplatinum (IV) complexes","European Journal of Solid State and Inorganic Chemistry","1990","27","","599","615","","","x-ray","0.71069","MoKα","","","0.041","","","0.05","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030340","5.419","0.001","11.729","0.004","8.373","0.002","90","","94.5","0.02","90","","530.5","0.2","","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H6 N2 O7 Re2 -","- C4 N2 O7 Re2 -","- C8 N4 O14 Re4 -","2","0.5","","Roesky, H. W.; Hesse, D.; Noltemeyer, M.","Synthesis and crystal structure of Re2O7.2CH3CN","European Journal of Solid State and Inorganic Chemistry","1991","28","","809","814","","","x-ray","0.71069","MoKα","","","0.081","","","0.096","","","","","","","","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030447","10.904","0.009","8.489","0.007","5.56","0.005","90","","94.06","0.07","90","","513.4","0.8","","","294","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C3 H2 Ag F6 N O5 S2 -","- C4 Ag F6 O5 S2 -","- C8 Ag2 F12 O10 S4 -","2","0.5","","Desmarteau, D. D.; Zuberi, S. S.; Pennington, W. T.; Randolph, B. B.","Structural studies of silver (I) salts of the cyclic sulfonimides (CF2)n(SO2)2NH (n = 3, 4)","European Journal of Solid State and Inorganic Chemistry","1992","29","","777","789","","","x-ray","0.71069","MoKα","","","0.0544","","","0.073","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030479","17.5234","0.0009","4.0107","0.0003","10.1736","0.0006","90","","98.601","0.004","90","","706.97","0.08","","","293","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- S3 Y2 -","- S3 Y2 -","- S18 Y12 -","6","1.5","","Schleid, Thomas","Crystal structures of D-Y2S3 and Y2OS2","European Journal of Solid State and Inorganic Chemistry","1992","29","","1015","1028","","","x-ray","0.71069","MoKα","","","0.042","","","0.028","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030735","9.793","0.001","8.464","0.005","10.712","0.001","90","","117.2","0.01","90","","789.7","0.5","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- F7 Th Tl3 -","- F7 Th Tl3 -","- F28 Th4 Tl12 -","4","1","","Gaumet, Y.; El-Ghozzi, M.; Avignant, D.","The crystal structure of Tl3ThF7: a case of stereochemical activity of Tl+ lone pair in fluorides","European Journal of Solid State and Inorganic Chemistry","1995","32","","893","905","","","x-ray","0.71069","MoKα","","","0.044","","","0.051","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030865","4.589","0.001","8.446","0.002","8.976","0.003","90","","97.76","0.03","90","","344.71","0.16","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Co2 Li O10 P3 -","- Co2 Li O10 P3 -","- Co4 Li2 O20 P6 -","2","0.5","","Rissouli, K.; Benkhouja, K.; Sadel, A.; Bettach, M.; Zahir, M.; Giorgi, M.; Pierrot, M.; Drillon, M.","A new type of triphosphate group : crystal structure and magnetic properties of Co2LiP3O10","European Journal of Solid State and Inorganic Chemistry","1997","34","","221","230","","","x-ray","0.71073","MoKα","","","0.033","","","0.042","","","","","","","1.46","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030911","4.889","0.0002","14.3857","0.0005","7.9017","0.0003","90","","90.134","0.004","90","","555.74","0.04","","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Cu3 F K2 O12 P3 Zn -","- Cu3 F K2 O12 P3 Zn -","- Cu6 F2 K4 O24 P6 Zn2 -","2","0.5","","Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem Yanetz, L. N.","The crystal structure of K~2~[Cu~3~ZnF(PO~4~)~3~], a new mixed zinc copper phosphate","European Journal of Solid State and Inorganic Chemistry","1998","35","2","133","141","10.1016/S0992-4361(98)80192-6","","x-ray","1.5418","CuKα","","","0.0452","","","0.1233","","","","","","","1.175","","","","has coordinates","182188","2020-10-21","18:00:00",""
"4031406","5.958","","7.628","","8.2997","","90","","100.5","","90","","370.885","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs ((C F3)2 B F2)","","- C2 B Cs F8 -","- C2 B Cs F8 -","- C4 B2 Cs2 F16 -","2","0.5","","Brauer, D.J.; Buerger, H.; Pawelke, G.","Vibrational spectra and normal coordinate analysis of C F3 compounds XXXIV. The bis(trifluoromethyl)difluoroborate anion. X-Ray structure of Cs (C F3)2 B F2)","Journal of Organometallic Chemistry","1980","192","","305","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031424","8.444","","7.705","","11.357","","90","","107.7","","90","","703.92","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Co (N H3)6 Hg Cl5","","- Cl5 Co H18 Hg N6 -","- Cl5 Co H18 Hg N6 -","- Cl10 Co2 H36 Hg2 N12 -","2","0.5","","Clegg, W.","Deviations from ideal trigonal-bipyramidal geometry in the (Hg Cl5)(3-)-anion. Crystal structure of two complex salts.","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","593","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4031539","10.957","0.0008","22.2567","0.0016","16.8706","0.0011","90","","97.384","0.006","90","","4080.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H22 F12 N8 P2 Ru -","- C24 H22 F12 N8 P2 Ru -","- C96 H88 F48 N32 P8 Ru4 -","4","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0794","0.0604","","","0.1788","0.1904","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031802","6.9","","11.29","","6.41","","90","","93.8","","90","","498.248","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(C O)3 Cr (P H3)3","","- C3 H9 Cr O3 P3 -","- C3 H9 Cr O3 P3 -","- C6 H18 Cr2 O6 P6 -","2","0.5","","Huttner, G.; Schelle, S.","Kristall- und Molekuelstruktur von zwei Metallcarbonylderivaten des P H3: (C O)3 Cr (P H3)3 und (C O)5 Cr (P H3)","Journal of Organometallic Chemistry","1973","47","","383","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4033199","10.691","","21.5103","","14.9915","","90","","98.822","","90","","3406.76","","143","","143","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C118 H112 Cl4 F24 N8 O16 Sb4 -","2","0.5","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1254","0.085","","","0.2052","0.2367","","","","","","1.004","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033530","27.1507","0.0002","19.4075","0.00015","29.45","0.0002","90","","106.74","0.0008","90","","14860.3","0.2","123","","123","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C171 H156 N6 O6 P6 Pd3 -","- C171 H156 N6 O6 P6 Pd3 -","- C342 H312 N12 O12 P12 Pd6 -","2","0.5","","Abe, Hajime; Hashikawa, Daisuke; Minami, Takaya; Ohtani, Kohei; Masuda, Kentaro; Matsumoto, Shinya; Inouye, Masahiko","Hexaphenolic Rigid Cages Prepared by Self-Organization of C<sub>3 v</sub> Tridentates.","The Journal of organic chemistry","2018","83","6","3132","3141","10.1021/acs.joc.7b03111","","","1.54187","CuKα","","0.0807","0.0729","","","0.192","0.1978","","","","","","1.026","","","","has coordinates","227570","2020-10-21","18:00:00",""
"4033945","18.83","0.004","32.96","0.007","18.84","0.004","90","","119.64","0.03","90","","10163","5","100","2","100","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- C156 H162 -","- C156 H162 -","- C312 H324 -","2","0.5","","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","","","0.85","synchrotron","","0.1069","0.0931","","","0.3243","0.339","","","","","","1.537","","","","has coordinates,has disorder","222519","2020-10-21","18:00:00",""
"4033948","18.83","0.004","32.96","0.007","18.84","0.004","90","","119.64","0.03","90","","10163","5","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C180 H210 Cl24 -","- C179.998 H209.984 Cl23.998 -","- C359.996 H419.968 Cl47.996 -","2","0.5","","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","","","0.85","synchrotron","","0.1496","0.1387","","","0.3864","0.404","","","","","","1.898","","","","has coordinates,has disorder","222522","2020-10-21","18:00:00",""
"4034019","10.406","0.001","6.819","0.0007","10.517","0.001","90","","102.1","0.01","90","","729.69","0.13","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H13 N3 O S -","- C17 H13 N3 O S -","- C34 H26 N6 O2 S2 -","2","0.5","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","","1.5418","CuKα","","0.0464","0.043","","0.129","0.1236","0.129","","","","","","1.0511","","","","has coordinates","222578","2020-10-21","18:00:00",""
"4034998","10.0873","0.0008","13.9444","0.0013","12.7124","0.0019","90","","106.462","0.011","90","","1714.8","0.3","103.3","","103.3","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C65.5 H9 N S3 -","- C65.5 H9 N S3 -","- C131 H18 N2 S6 -","2","0.5","","Wu, Sheng-Li; Gao, Xiang","Copper-Catalyzed Aerobic Oxidative Reaction of C<sub>60</sub> with Aliphatic Primary Amines and CS<sub>2</sub>.","The Journal of organic chemistry","2018","83","4","2125","2130","10.1021/acs.joc.7b03061","","","0.7107","MoKα","","0.0915","0.0601","","","0.1253","0.1407","","","","","","1.043","","","","has coordinates,has disorder","226501","2020-10-21","18:00:00",""
"4035291","8.5723","0.0005","7.0541","0.0004","10.5423","0.0005","90","","103.424","0.006","90","","620.07","0.06","298.2","","298.2","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H14 N6 -","- C12 H14 N6 -","- C24 H28 N12 -","2","0.5","","Pathare, Ramdas S.; Ansari, Arshad J.; Verma, Sarika; Maurya, Anand; Maurya, Antim K.; Agnihotri, Vijai K.; Sharon, Ashoke; Pardasani, Ram T.; Sawant, Devesh M.","Sequential Pd(0)/Fe(III) Catalyzed Azide-Isocyanide Coupling/Cyclization Reaction: One-Pot Synthesis of Aminotetrazoles.","The Journal of organic chemistry","2018","83","16","9530","9537","10.1021/acs.joc.8b01261","","x-ray","0.71073","MoKα","","0.1123","0.0708","","","0.1991","0.2566","","","","","","1.044","","","","has coordinates,has disorder","226755","2020-10-21","18:00:00",""
"4035714","7.7479","0.0006","25.908","0.002","10.202","0.0007","90","","103.259","0.002","90","","1993.3","0.3","120","","120","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","2,8-Bis(phenoxazin-10-yl)dibenzothiophene-S,S-dioxide, deuterochloroform trisolvate","","- C39 H22 Cl9 D3 N2 O4 S -","- C39 H22 Cl9 D3 N2 O4 S -","- C78 H44 Cl18 D6 N4 O8 S2 -","2","0.5","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Batsanov, Andrei S.; Santos, Jose; Dias, Fernando B.; Bryce, Martin R.","Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.","The Journal of organic chemistry","2018","83","23","14431","14442","10.1021/acs.joc.8b02187","","x-ray","0.71073","MoKα","","0.0596","0.0466","","","0.1107","0.1195","","","","","","1.032","","","","has coordinates,has disorder","227163","2020-10-21","18:00:00",""
"4035760","11.409","0.0005","44.6389","0.0019","21.1247","0.0008","90","","101.254","0.004","90","","10551.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C115 H152 Cl2 F N16 -","- C115 H152 Cl2 F N16 -","- C460 H608 Cl8 F4 N64 -","4","1","","Molina-Muriel, Ricardo; Aragay, Gemma; Escudero-Adán, Eduardo C; Ballester, Pablo","Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle.","The Journal of organic chemistry","2018","83","21","13507","13514","10.1021/acs.joc.8b02449","","","0.7107","MoKα","","0.1922","0.0882","","","0.2054","0.2397","","","","","","1.207","","","","has coordinates,has disorder","227201","2020-10-21","18:00:00",""
"4037097","8.686","0.002","7.044","0.002","10.612","0.006","90","","91.27","0.03","90","","649.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","0.5","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0862","0.0534","","","0.1022","0.1165","","","","","","1.02","","","","has coordinates","235663","2020-10-21","18:00:00",""
"4037230","16.4628","0.0012","6.9001","0.0005","18.9585","0.0019","90","","111.283","0.004","90","","2006.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H25.5 Cl1.5 O -","- C24 H26.5 Cl1.5 O -","- C96 H106 Cl6 O4 -","4","1","","Ye, Qun; Zhang, Zhen; Png, Zhuang Mao; Neo, Wei Teng; Lin, Tingting; Zeng, Huining; Xu, Hui; Xu, Jianwei","Cyclization of Tetraaryl-Substituted Benzoquinones and Hydroquinones through the Scholl Reaction.","The Journal of organic chemistry","2016","81","19","9219","9226","10.1021/acs.joc.6b01785","","","1.54178","CuKα","","0.1929","0.0995","","","0.2515","0.2823","","","","","","1.026","","","","has coordinates,has disorder","235835","2020-10-21","18:00:00",""
"4037466","8.4519","0.0004","6.8822","0.0003","10.8607","0.0005","90","","112.056","0.002","90","","585.51","0.05","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H6 N O4 -","- C14 H6 N O4 -","- C28 H12 N2 O8 -","2","0.5","","Han, Sang Hoon; Kim, Saegun; De, Umasankar; Mishra, Neeraj Kumar; Park, Jihye; Sharma, Satyasheel; Kwak, Jong Hwan; Han, Sangil; Kim, Hyung Sik; Kim, In Su","Synthesis of Succinimide-Containing Chromones, Naphthoquinones, and Xanthones under Rh(III) Catalysis: Evaluation of Anticancer Activity.","The Journal of organic chemistry","2016","81","24","12416","12425","10.1021/acs.joc.6b02577","","","0.71073","MoKα","","0.1512","0.1113","","","0.3163","0.3601","","","","","","1.252","","","","has coordinates,has disorder","236196","2020-10-21","18:00:00",""
"4038014","12.5156","0.0004","18.1763","0.0005","13.11","0.0003","90","","94.555","0.003","90","","2972.94","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2,4,6,8-Tetra(cyclohexyl)-5^4^,5^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,3^4^,3^6^-tetrol","","- C56 H72 O8 -","- C56 H72 O8 -","- C112 H144 O16 -","2","0.5","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0671","0.0587","","","0.17","0.1784","","","","","","1.038","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038101","5.4761","0.0002","8.8259","0.0003","6.3408","0.0002","90","","101.156","0.002","90","","300.67","0.018","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","0.5","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0311","0.0295","","","0.0787","0.0807","","","","","","1.006","","","","has coordinates","249679","2020-10-21","18:00:00",""
"4038245","9.2209","","6.6668","","9.3831","","90","","99.2121","","90","","569.376","","90","","90","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Br N2 O2 -","- C12 H15 Br N2 O2 -","- C24 H30 Br2 N4 O4 -","2","0.5","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0178","","","","0.0465","","","","","","1.077","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038693","9.8312","0.0012","6.6242","0.0009","12.7222","0.0019","90","","95.267","0.008","90","","825.02","0.19","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H10 Cl N5 O5 -","- C18 H10 Cl N5 O5 -","- C36 H20 Cl2 N10 O10 -","2","0.5","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.1521","0.0762","","","0.1589","0.2062","","","","","","0.996","","","","has coordinates,has disorder","255298","2020-10-21","18:00:00",""
"4038891","6.9527","0.0002","6.30259","0.00016","7.5416","0.0002","90","","114.963","0.004","90","","299.6","0.017","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H3 Cl N4 -","- C5 H3 Cl N4 -","- C10 H6 Cl2 N8 -","2","0.5","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0319","0.0319","","","0.0832","0.0832","","","","","","1.123","","","","has coordinates","258401","2020-10-21","18:00:00",""
"4060141","8.447","0.005","24.218","0.005","9.788","0.005","90","","100.41","0.005","90","","1969.4","1.6","150","0.1","150","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C41 H64 P Rh Si2 -","- C41 H64 P Rh Si2 -","- C82 H128 P2 Rh2 Si4 -","2","0.5","","","","Organometallics","2005","","","","","10.1021/om049261y","","","0.71069","MoKα","","0.0523","0.0409","","","0.1051","0.1111","","","","","","1.092","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4061037","8.3802","0.0004","20.5784","0.0009","9.7226","0.0004","90","","102.714","0.001","90","","1635.56","0.13","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C35 H52 Fe N2 -","- C35 H52 Fe N2 -","- C70 H104 Fe2 N4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061370","10.1914","0.0013","17.009","0.002","12.7509","0.0016","90","","108.839","0.002","90","","2091.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H29 Cl2 Fe3 O15 P Pt4 -","- C28 H29 Cl2 Fe3 O15 P Pt4 -","- C56 H58 Cl4 Fe6 O30 P2 Pt8 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om0342659","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061372","10.0725","0.0006","16.8032","0.001","12.7612","0.0008","90","","108.895","0.001","90","","2043.4","0.2","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C28 H29 Cl2 Fe3 O15 P Pd Pt3 -","- C28 H29 Cl2 Fe3 O15 P Pd Pt3 -","- C56 H58 Cl4 Fe6 O30 P2 Pd2 Pt6 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om0342659","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061495","7.5676","0.0002","12.1539","0.0004","7.878","0.0002","90","","118.515","0.0014","90","","636.69","0.03","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H15 Cl3 N3 Sc -","- C6 H15 Cl3 N3 Sc -","- C12 H30 Cl6 N6 Sc2 -","2","0.5","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061588","11.221","0.002","18.01","0.004","11.883","0.003","90","","107.027","0.003","90","","2296.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H64 B10 Rh2 S2 -","- C34 H60 B10 Rh2 S2 -","- C68 H120 B20 Rh4 S4 -","2","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061802","6.833","0.003","13.633","0.006","7.711","0.003","90","","109.421","0.006","90","","677.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O7 S2 -","- C8 H4 Fe2 O7 S2 -","- C16 H8 Fe4 O14 S4 -","2","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218786","2020-10-21","18:00:00",""
"4062213","8.3","0.004","11.905","0.005","9.169","0.004","90","","113.149","0.007","90","","833.1","0.6","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 Fe2 O4 Si -","- C17 H14 Fe2 O4 Si -","- C34 H28 Fe4 O8 Si2 -","2","0.5","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062382","9.098","0.003","14.337","0.005","9.71","0.003","90","","117.384","0.005","90","","1124.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H18 Mo2 N0 O6 Si -","- C21 H18 Mo2 O6 Si -","- C42 H36 Mo4 O12 Si2 -","2","0.5","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","","","","","","","","","","","","","","","","","","","has coordinates","192131","2020-10-21","18:00:00",""
"4062497","20.2339","0.0016","6.9091","0.0008","8.6311","0.0009","90","","100.962","0.008","90","","1184.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H12 Cl Hg N O -","- C11 H12 Cl Hg N O -","- C44 H48 Cl4 Hg4 N4 O4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178520","2020-10-21","18:00:00",""
"4062596","12.8372","0.0012","14.8717","0.0014","19.6316","0.0019","90","","106.16","0.002","90","","3599.8","0.6","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C63 H65 Cl3 O4 P4 Pt3 S2 -","- C73 H54 Cl3 O4 P4 Pt3 S2 -","- C146 H108 Cl6 O8 P8 Pt6 S4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om034312x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178521","2020-10-21","18:00:00",""
"4062639","8.3232","0.0014","17.302","0.003","8.4939","0.0015","90","","117.185","0.003","90","","1088.1","0.3","203","2","203","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C22 H36 Th -","- C22 H6 Th -","- C44 H12 Th2 -","2","0.5","","Kimberly C. Jantunen; Carol J. Burns; Ingrid Castro-Rodriguez; Ryan E. Da Re; Jeffery T. Golden; David E. Morris; Brian L. Scott; Felicia L. Taw; Jaqueline L. Kiplinger","Thorium(IV) and Uranium(IV) Ketimide Complexes Prepared by Nitrile Insertion in ActinideAlkyl and -Aryl Bonds","Organometallics","2004","","","","","10.1021/om0343824","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062907","6.833","0.003","13.633","0.006","7.711","0.003","90","","109.421","0.006","90","","677.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O7 S2 -","- C8 H4 Fe2 O7 S2 -","- C16 H8 Fe4 O14 S4 -","2","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Hu, Qing-Mei","Novel Single and Double Diiron Oxadithiolates as Models for the Active Site of [Fe]-Only Hydrogenases","Organometallics","2004","23","13","3082","3084","10.1021/om049752i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218787","2020-10-21","18:00:00",""
"4063226","12.057","0.001","12.521","0.002","14.701","0.001","90","","93.219","0.007","90","","2215.8","0.3","20","","20","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","?","- C78 H94 Cl8 Ir4 P2 Pd2 S4 -","- C78 H94 Cl8 Ir4 P2 Pd2 S4 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.038","","","0.028","","","","","2.1","2.1","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063503","7.121","0.001","13.743","0.001","8.296","0.001","90","","105.022","0.001","90","","784.13","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H23 Ir O4 -","- C16 H23 Ir O4 -","- C32 H46 Ir2 O8 -","2","0.5","","Moussa, Jamal; Rager, Marie Noelle; Chamoreau, Lise Marie; Ricard, Louis; Amouri, Hani","Unprecedented π-Bonded Rhodio- and Iridio-o-Benzoquinones as Organometallic Linkers for the Design of Chiral Octahedral Bimetallic Assemblies","Organometallics","2009","28","2","397","404","10.1021/om800594g","","","0.71069","MoKα","","0.0277","0.026","","","0.06","0.0607","","","","","","1.073","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4064219","8.808","0.0002","19.733","0.0004","9.324","0.0002","90","","106.589","0.001","90","","1553.14","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H36 Br Mn N2 O4 -","- C31 H36 Br Mn N2 O4 -","- C62 H72 Br2 Mn2 N4 O8 -","2","0.5","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.056","0.0403","","","0.0938","0.1001","","","","","","1.117","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064225","10.13","0.002","10.7788","0.0017","11.2932","0.0006","90","","112.488","0.006","90","","1139.3","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H11 Co3 Fe O9 -","- C21 H11 Co3 Fe O9 -","- C42 H22 Co6 Fe2 O18 -","2","0.5","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.0403","0.0231","","","0.0499","0.0536","","","","","","0.986","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064538","8.6175","0.0001","21.0066","0.0003","9.9016","0.0001","90","","108.535","0.001","90","","1699.46","0.04","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Rucaphos, 4 in manuscript","","","- C41 H32 Cl2 P2 -","- C41 H32 Cl1.916 P2 -","- C82 H64 Cl3.832 P4 -","2","0.5","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.0645","0.0488","","","0.1124","0.1232","","","","","","1.02","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064652","12.6248","0.0012","14.1844","0.001","16.479","0.0016","90","","90.715","0.003","90","","2950.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C36 H34 Al2 Cl11 Cr2 N4 P2 -","- C36 H34 Al2 Cl11 Cr2 N4 P2 -","- C72 H68 Al4 Cl22 Cr4 N8 P4 -","2","0.5","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","x-ray","0.71073","MoKα","","0.1248","0.0858","","","0.2287","0.2447","","","","","","1.095","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064864","10.404","0.0008","14.2093","0.0008","15.6601","0.0012","90","","93.878","0.009","90","","2309.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C50 H76 Ni2 O2 -","- C50 H76 Ni2 O2 -","- C100 H152 Ni4 O4 -","2","0.5","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.0747","0.0464","","","0.109","0.1179","","","","","","0.914","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064944","8.0239","0.0011","14.246","0.002","10.4439","0.0014","90","","99.861","0.009","90","","1176.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H41 Cl N2 Ni P2 -","- C18 H41 Cl N2 Ni P2 -","- C36 H82 Cl2 N4 Ni2 P4 -","2","0.5","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0923","0.0546","","","0.1362","0.155","","","","","","1.074","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064951","12.5547","0.0003","10.7005","0.0006","14.7609","0.0006","90","","115.168","0.003","90","","1794.75","0.14","291","2","291","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C32 H49 Cl F6 N2 O P Rh Ru -","- C32 H49 Cl F6 N2 O P Rh Ru -","- C64 H98 Cl2 F12 N4 O2 P2 Rh2 Ru2 -","2","0.5","","Hildebrandt, Björn; Frank, Walter; Ganter, Christian","A Cationic N-Heterocyclic Carbene with an Organometallic Backbone: Synthesis and Reactivity","Organometallics","2011","30","13","3483","","10.1021/om2004496","","","0.71073","MoKα","","0.0849","0.0735","","","0.1518","0.1549","","","","","","1.711","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4065401","10.4902","0.0014","10.6054","0.0015","11.0924","0.0015","90","","109.053","0.002","90","","1166.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H29 B10 N Zr -","- C19 H29 B10 N Zr -","- C38 H58 B20 N2 Zr2 -","2","0.5","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0473","0.0441","","","0.1163","0.1221","","","","","","1.194","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065402","10.811","0.003","10.573","0.003","14.089","0.004","90","","112.161","0.004","90","","1491.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H27 B10 N Zr -","- C21 H27 B10 N Zr -","- C42 H54 B20 N2 Zr2 -","2","0.5","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0644","0.0516","","","0.1336","0.1401","","","","","","1.088","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065513","13.0724","0.0006","19.3867","0.0007","13.9064","0.0007","90","","95.742","0.004","90","","3506.6","0.3","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H36.5 Br4 Fe2 N10.5 O0.5 -","- C25 H36.5 Br4 Fe2 N10.5 O0.5 -","- C100 H146 Br16 Fe8 N42 O2 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0741","0.0526","","","0.0841","0.0894","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4066010","9.4818","0.0004","18.8992","0.0007","11.7168","0.0004","90","","109.64","0.0004","90","","1977.49","0.13","173","2","173","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C35 H50 Cu I N2 O P2 Si2 -","- C35 H50 Cu I N2 O P2 Si2 -","- C70 H100 Cu2 I2 N4 O2 P4 Si4 -","2","0.5","","Ma, Guibin; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Rare, Hexatomic, Boat-Shaped, Cross-Linked Bis(iminodiphenylphosphorano)methanediide Pincer Carbon Bridged Photoluminescent Copper Clusters Capped with Methyl or Halide Bridges","Organometallics","2010","29","19","4251","","10.1021/om1002478","","","0.71073","MoKα","","0.0374","0.0335","","","0.0902","0.093","","","","","","1.056","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066152","7.1346","0.0003","31.4177","0.0011","7.5643","0.0002","90","","113.524","0.0019","90","","1554.65","0.1","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H35 B F4 N4 -","- C35 H35 B F4 N4 -","- C70 H70 B2 F8 N8 -","2","0.5","","Al Thagfi, Jameel; Dastgir, Sarim; Lough, Alan J.; Lavoie, Gino G.","Synthesis and Structural Characterization of the First Copper(I) Complexes with Bis(imino)-N-heterocyclic Carbene NCN Pincer Ligands","Organometallics","2010","29","14","3133","","10.1021/om100321n","","","0.71073","MoKα","","0.1133","0.0629","","","0.1673","0.1995","","","","","","1.046","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066911","8.7676","0.0005","22.1871","0.0013","10.3947","0.0006","90","","110.587","0.002","90","","1892.93","0.19","110","2","110","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C31 H32 Cl6 F3 I2 P2 Rh -","- C31 H32 Cl6 F3 I2 P2 Rh -","- C62 H64 Cl12 F6 I4 P4 Rh2 -","2","0.5","","Panthi, Basu D.; Gipson, Stephen L.; Franken, Andreas","Comparison of the Thermal and Reductive Decarbonylation of a Rhodium Trifluoroacetyl Diphosphine Complex","Organometallics","2010","29","22","5890","","10.1021/om1007055","","","0.71073","MoKα","","0.0239","0.0194","","","0.0451","0.0478","","","","","","1.051","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4067006","8.407","0.0009","15.2225","0.0017","10.5861","0.0012","90","","101.503","0.003","90","","1327.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","7-KetoMes-Rh(CO)2Cl","","","- C29 H38 Cl N2 O4 Rh -","- C29 H38 Cl N2 O4 Rh -","- C58 H76 Cl2 N4 O8 Rh2 -","2","0.5","","Hudnall, Todd W.; Tennyson, Andrew G.; Bielawski, Christopher W.","A Seven-MemberedN,N′-Diamidocarbene","Organometallics","2010","29","20","4569","","10.1021/om1007665","","","0.71075","MoKα","","0.026","0.025","","","0.0715","0.0728","","","","","","1.007","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067145","9.3319","0.0004","22.498","0.001","10.143","0.0004","90","","112.34","0.002","90","","1969.68","0.15","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H23 Br Li2 N O1.5 -","- C17 H23 Br Li2 N O1.5 -","- C68 H92 Br4 Li8 N4 O6 -","4","1","","Bhadbhade, Mohan; Clentsmith, Guy K. B.; Field, Leslie D.","Sterically Hindered Diazabutadienes (DABs): Competing Reaction Pathways with MeLi","Organometallics","2010","29","23","6509","","10.1021/om100850p","","","0.71073","MoKα","","0.0457","0.035","","","0.0873","0.093","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067150","11.0649","0.0008","14.2485","0.0013","11.7148","0.0009","90","","96.237","0.003","90","","1836","0.3","173","1","173","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H45 Cl4 P Ru2 S2 -","- C38 H44 Cl4 P Ru2 S2 -","- C76 H88 Cl8 P2 Ru4 S4 -","2","0.5","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Preparation of Thiolate-Bridged Dinuclear Ruthenium Complexes Bearing a Phosphine Ligand and Application to Propargylic Reduction of Propargylic Alcohols with 2-Propanol","Organometallics","2010","29","22","5994","","10.1021/om100852x","","","0.71069","MoKα","","0.0456","0.0401","","","0.107","0.1115","","","","","","1.08","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067220","10.455","0.004","17.283","0.006","11.175","0.004","90","","98.818","0.005","90","","1995.4","1.3","113","2","113","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H52 Cl N3 O Pd -","- C43 H52 Cl N3 O Pd -","- C86 H104 Cl2 N6 O2 Pd2 -","2","0.5","","Jin, Zhong; Qiu, Ling-Ling; Li, Yan-Qing; Song, Hai-Bin; Fang, Jian-Xin","Insight into the Steric and Electronic Effects of Ancillary Ligands: Synthesis and Structure−Reactivity Relationship of Well-Defined, Air- and Moisture-Stable (NHC)Pd(sal)Cl Complexes (sal = Salicylaldimine)","Organometallics","2010","29","23","6578","","10.1021/om100906n","","","0.71075","MoKα","","0.0373","0.0301","","","0.066","0.0686","","","","","","1.025","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067238","7.7567","0.0004","18.6392","0.0007","10.7397","0.0005","90","","100.621","0.002","90","","1526.13","0.12","183","2","183","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C36 H42 Na O3 -","- C36 H42 Na O3 -","- C72 H84 Na2 O6 -","2","0.5","","Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkali Metal-Stabilized 1,3,5-Triphenylbenzene Monoanions: Synthesis and Characterization of the Lithium, Sodium, and Potassium Complexes†","Organometallics","2010","29","24","6790","","10.1021/om1009632","","","0.71073","MoKα","","0.1184","0.0555","","","0.1383","0.1651","","","","","","1.021","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067252","7.9845","0.0012","23.481","0.004","10.7492","0.0016","90","","106.231","0.003","90","","1935","0.5","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H36 Cl6 Ir2 O13 -","- C13 H16.5 Cl3 Ir O6.5 -","- C52 H66 Cl12 Ir4 O26 -","4","1","","Bischof, Steven M.; Ess, Daniel H.; Meier, Steven K.; Oxgaard, Jonas; Nielsen, Robert J.; Bhalla, Gaurav; Goddard, William A.; Periana, Roy A.","Benzene C−H Bond Activation in Carboxylic Acids Catalyzed by O-Donor Iridium(III) Complexes: An Experimental and Density Functional Study","Organometallics","2010","29","4","742","","10.1021/om900036j","","","0.71073","MoKα","","0.0709","0.0524","","","0.1287","0.1346","","","","","","1.043","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067398","10.542","0.003","30.577","0.008","16.928","0.005","90","","99.017","0.004","90","","5389","3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C52 H48 F6 N2 O10 Ru2 S4 -","- C52 H48 F6 N2 O10 Ru2 S4 -","- C208 H192 F24 N8 O40 Ru8 S16 -","4","1","","Jia, Ai-Quan; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Syntheses and Reactions of Half-Sandwich Iridium, Rhodium, and Ruthenium Metallacycles Containing 4-Pyridyl Dithioether Ligands","Organometallics","2010","29","1","232","240","10.1021/om900921g","","","0.71073","MoKα","","0.1619","0.0867","","","0.2332","0.2619","","","","","","0.894","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067625","7.6802","0.0003","21.277","0.001","8.5207","0.0004","90","","99.1876","0.0011","90","","1374.52","0.11","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","{2,6-bis[1-(2,6-dimethylphenylimino)ethyl]pyridine} (trimethylsilylmethyl) cobalt(I)","","- C29 H38 Co N3 Si -","- C29 H38 Co N3 Si -","- C58 H76 Co2 N6 Si2 -","2","0.5","","Zhu, Di; Janssen, Femke F. B. J.; Budzelaar, Peter H. M.","(Py)2Co(CH2SiMe3)2As an Easily Accessible Source of “CoR2”","Organometallics","2010","29","8","1897","","10.1021/om901045s","","x-ray","0.71073","MoKα","","0.0398","0.0379","","","0.0995","0.1008","","","","","","1.075","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4068078","9.5868","0.0017","14.893","0.002","12.1232","0.0018","90","","108.183","0.013","90","","1644.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H56 Mg4 O4 -","- C24 H56 Mg4 O4 -","- C48 H112 Mg8 O8 -","2","0.5","","Blasberg, Florian; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","An Approach to Pin Down the Solid-State Structure of the “Turbo Grignard”","Organometallics","2012","31","3","1001","","10.1021/om201080t","","","0.71073","MoKα","","0.117","0.0559","","","0.115","0.1326","","","","","","0.893","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068112","5.4428","0.0005","15.996","0.003","7.7092","0.0015","90","","96.317","0.01","90","","667.11","0.19","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dichloromethyl(1,10-phenanthroline-N,N')antimony(III)","","- C13 H11 Cl2 N2 Sb -","- C13 H11 Cl2 N2 Sb -","- C26 H22 Cl4 N4 Sb2 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0457","0.0446","","","0.1067","0.1072","","","","","","1.21","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068114","5.7015","0.001","16.459","0.003","7.0828","0.001","90","","95.639","0.01","90","","661.44","0.19","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibromo-methyl(2,2'-bipyridyl-N,N')antimony(III)","","- C11 H11 Br2 N2 Sb -","- C11 H11 Br2 N2 Sb -","- C22 H22 Br4 N4 Sb2 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.047","0.0428","","","0.1045","0.1068","","","","","","1.101","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068151","8.1267","0.0004","11.8871","0.0005","13.7639","0.0006","90","","98.606","0.002","90","","1314.66","0.1","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H25 Br2 N3 Ni -","- C22 H25 Br2 N3 Ni -","- C44 H50 Br4 N6 Ni2 -","2","0.5","","Badaj, Anna C.; Lavoie, Gino G.","Synthesis and Structural Characterization of Nickel(II) Complexes with Imino-N-heterocyclic Carbene Heteroditopic Ligands","Organometallics","2012","31","3","1103","","10.1021/om2011485","","","0.71073","MoKα","","0.1011","0.0653","","","0.1881","0.2063","","","","","","1.117","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068231","13.7916","0.0006","21.0283","0.0009","13.8291","0.0006","90","","97.836","0.001","90","","3973.2","0.3","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C68 H76 Au6 Cl4 I6 N12 -","- C68 H78 Au6 Cl4 I6 N12 -","- C136 H156 Au12 Cl8 I12 N24 -","2","0.5","","Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh","Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation","Organometallics","2012","31","3","1195","","10.1021/om201268m","","","0.71073","MoKα","","0.0513","0.04","","","0.0851","0.0889","","","","","","1.092","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068363","6.9331","0.0002","13.3655","0.0005","7.9811","0.0003","90","","108.879","0.002","90","","699.78","0.04","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 Fe2 O6 Se2 -","- C9 H6 Fe2 O6 Se2 -","- C18 H12 Fe4 O12 Se4 -","2","0.5","","Harb, Mohammad K.; Niksch, Tobias; Windhager, Jochen; Görls, Helmar; Holze, Rudolf; Lockett, L. Tori; Okumura, Noriko; Evans, Dennis H.; Glass, Richard S.; Lichtenberger, Dennis L.; El-khateeb, Mohammad; Weigand, Wolfgang","Synthesis and Characterization of Diiron Diselenolato Complexes Including Iron Hydrogenase Models","Organometallics","2009","28","4","1039","","10.1021/om800748p","","","0.71073","MoKα","","0.0425","0.0375","","","0.0975","0.1011","","","","","","1.051","","","","has coordinates,has disorder","178573","2020-10-21","18:00:00",""
"4068789","8.2566","0.0001","19.2495","0.0003","8.841","0.0001","90","","115.216","0.001","90","","1271.25","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 B I N4 -","- C24 H30 B I N4 -","- C48 H60 B2 I2 N8 -","2","0.5","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination","Organometallics","2009","28","6","1730","","10.1021/om8010933","","","0.71073","MoKα","","0.0351","0.0269","","","0.0597","0.063","","","","","","1.044","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4069058","9.547","0.005","18.178","0.008","10.896","0.005","90","","107.703","0.007","90","","1801.4","1.5","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H57 O0 P3 -","- C34.558 P3 -","- C69.116 P6 -","2","0.5","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Schiffhauer, Matthew F.; Davidson, Fredric; McEwen, Charles N.","Highly Unsaturated Phosphorus Compounds: Generation and Reactions on Both Multiple Bonds of Vinyl Phosphaalkyne†","Organometallics","2009","28","8","2410","","10.1021/om801224d","","","0.71073","MoKα","","0.2914","0.1003","","","0.2197","0.2774","","","","","","0.983","","","","has coordinates,has disorder","178507","2020-10-21","18:00:00",""
"4069111","8.0993","0.0007","10.6819","0.0009","10.327","0.0009","90","","98.456","0.002","90","","883.74","0.13","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H25 B2 Co Ru -","- C18 H25 B2 Co Ru -","- C36 H50 B4 Co2 Ru2 -","2","0.5","","Siebert, Walter; Kudinov, Alexander R.; Zanello, Piero; Antipin, Mikhail Yu.; Scherban, Vyacheslav V.; Romanov, Alexander S.; Muratov, Dmitry V.; Starikova, Zoya A.; Corsini, Maddalena","Synthesis of μ-Diborolyl Triple-Decker Complexes by Electrophilic Stacking. Similar Bonding Properties of Anions [CpCo(1,3-C3B2H5)]−and Cp−toward Transition Metals†","Organometallics","2009","28","9","2707","","10.1021/om900032z","","","0.71073","MoKα","","0.0324","0.03","","","0.0699","0.0716","","","","","","0.997","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069113","8.537","0.002","12.233","0.003","10.101","0.003","90","","100.322","0.005","90","","1037.8","0.5","110","2","110","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C21 H32 B2 Co2 -","- C21 H32 B2 Co2 -","- C42 H64 B4 Co4 -","2","0.5","","Siebert, Walter; Kudinov, Alexander R.; Zanello, Piero; Antipin, Mikhail Yu.; Scherban, Vyacheslav V.; Romanov, Alexander S.; Muratov, Dmitry V.; Starikova, Zoya A.; Corsini, Maddalena","Synthesis of μ-Diborolyl Triple-Decker Complexes by Electrophilic Stacking. Similar Bonding Properties of Anions [CpCo(1,3-C3B2H5)]−and Cp−toward Transition Metals†","Organometallics","2009","28","9","2707","","10.1021/om900032z","","","0.71073","MoKα","","0.0883","0.0492","","","0.1182","0.1345","","","","","","0.898","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069246","6.418","0.0013","11.568","0.002","11.538","0.002","90","","97.91","0.03","90","","848.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C13 H13 B F4 Mo N2 O4 -","- C13 H13 B F4 Mo N2 O4 -","- C26 H26 B2 F8 Mo2 N4 O8 -","2","0.5","","Honzíček, Jan; Mukhopadhyay, Abhik; Santos-Silva, Teresa; Romão, Maria J.; Romão, Carlos C.","Ring-Functionalized Molybdenocene Complexes","Organometallics","2009","28","9","2871","","10.1021/om9001022","","","0.71073","MoKα","","0.0255","0.0221","","","0.0547","0.0564","","","","","","1.059","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069355","6.6672","0.0004","10.1737","0.0008","14.2564","0.0011","90","","101.119","0.004","90","","948.86","0.12","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H17 Br N2 O7 Pt -","- C16 H17 Br N2 O7 Pt -","- C32 H34 Br2 N4 O14 Pt2 -","2","0.5","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia","Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes","Organometallics","2009","28","12","3501","","10.1021/om9001582","","","0.71073","MoKα","","0.019","0.0161","","","0.0371","0.0377","","","","","","1.025","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069902","10.4727","0.0003","15.1067","0.0004","13.7281","0.0002","90","","95.432","0.002","90","","2162.14","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C42.3 H71.92 N2 P Rh -","- C42.3 H72.58 N2 P Rh -","- C84.6 H145.16 N4 P2 Rh2 -","2","0.5","","Aktas, Halil; Slootweg, J. Chris; Ehlers, Andreas W.; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","N-Heterocyclic Carbene Functionalized Group 7−9 Transition Metal Phosphinidene Complexes","Organometallics","2009","28","17","5166","","10.1021/om900496y","","","0.71073","MoKα","","0.0351","0.0285","","","0.0861","0.0906","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4069939","8.5333","0.0003","22.5383","0.0006","9.745","0.0003","90","","100.809","0.001","90","","1840.96","0.1","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C36 H63 Si2 Sm -","- C36 H63 Si2 Sm -","- C72 H126 Si4 Sm2 -","2","0.5","","Summerscales, Owen T.; Jones, Simon C.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Anti-Bimetallic Complexes of Divalent Lanthanides with Silylated Pentalene and Cyclooctatetraenyl Bridging Ligands as Molecular Models for Lanthanide-Based Polymers","Organometallics","2009","28","20","5896","","10.1021/om900520h","","x-ray","0.71073","MoKα","","0.0337","0.0258","","","0.0536","0.0561","","","","","","1.095","","","","has coordinates,has disorder","178588","2020-10-21","18:00:00",""
"4069941","8.2612","0.0001","17.42","0.0004","17.7584","0.0003","90","","94.206","0.001","90","","2548.73","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C53 H86 Si2 Yb2 -","- C53 H86 Si2 Yb2 -","- C106 H172 Si4 Yb4 -","2","0.5","","Summerscales, Owen T.; Jones, Simon C.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Anti-Bimetallic Complexes of Divalent Lanthanides with Silylated Pentalene and Cyclooctatetraenyl Bridging Ligands as Molecular Models for Lanthanide-Based Polymers","Organometallics","2009","28","20","5896","","10.1021/om900520h","","x-ray","0.71073","MoKα","","0.0476","0.0364","","","0.0856","0.0887","","","","","","1.351","","","","has coordinates,has disorder","178588","2020-10-21","18:00:00",""
"4070080","8.9511","0.0008","14.2462","0.0013","11.7027","0.0011","90","","106.223","0.001","90","","1432.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H50 Al3 N2 Tm -","- C25 H50 Al3 N2 Tm -","- C50 H100 Al6 N4 Tm2 -","2","0.5","","Korobkov, Ilia; Gambarotta, Sandro","Unusual Reactivity of a Tm-Pyrrolide/Aluminate Complex with a Metallocene-Type Structural Motif","Organometallics","2009","28","18","5560","","10.1021/om900604h","","","0.71073","MoKα","","0.0421","0.0328","","","0.0796","0.0844","","","","","","1.012","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070081","11.732","0.002","14.273","0.002","12.422","0.002","90","","108.691","0.002","90","","1970.4","0.5","203","2","203","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H66 Al4 N4 Si Tm -","- C33 H66 Al4 N4 Si Tm -","- C66 H132 Al8 N8 Si2 Tm2 -","2","0.5","","Korobkov, Ilia; Gambarotta, Sandro","Unusual Reactivity of a Tm-Pyrrolide/Aluminate Complex with a Metallocene-Type Structural Motif","Organometallics","2009","28","18","5560","","10.1021/om900604h","","","0.71073","MoKα","","0.0462","0.0429","","","0.1104","0.113","","","","","","1.043","","","","has coordinates,has disorder","178589","2020-10-21","18:00:00",""
"4070289","6.8151","0.0002","23.1315","0.0006","9.0264","0.0002","90","","104.107","0.002","90","","1380.04","0.06","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","2d","","","- C32 H22 Fe2 Mo N2 O5 -","- C32 H22 Fe2 Mo N2 O5 -","- C64 H44 Fe4 Mo2 N4 O10 -","2","0.5","","Rosen, Evelyn L.; Varnado, C. Daniel; Tennyson, Andrew G.; Khramov, Dimitri M.; Kamplain, Justin W.; Sung, Daphne H.; Cresswell, Philip T.; Lynch, Vincent M.; Bielawski, Christopher W.","Redox-Active N-Heterocyclic Carbenes: Design, Synthesis, and Evaluation of Their Electronic Properties","Organometallics","2009","28","23","6695","","10.1021/om900698x","","","0.7107","MoKα","","0.0265","0.023","","","0.0511","0.0526","","","","","","1.053","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070310","10.0935","0.0007","16.0492","0.0012","10.9204","0.0009","90","","93.071","0.005","90","","1766.5","0.2","223","2","223","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C38 H29 B F8 N4 P2 Ru -","- C38 H29 B F8 N4 P2 Ru -","- C76 H58 B2 F16 N8 P4 Ru2 -","2","0.5","","Flores-Figueroa, Aarón; Kaufhold, Oliver; Hepp, Alexander; Fröhlich, Roland; Hahn, F. Ekkehardt","Synthesis of a Ruthenium(II) Complex Containing an [11]ane-P2CNHC(NHC = Imidazolidin-2-ylidene) Macrocycle","Organometallics","2009","28","21","6362","","10.1021/om900703q","","","1.54178","CuKα","","0.0675","0.0609","","","0.1538","0.1611","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070596","8.596","0.0017","14.522","0.003","11.155","0.002","90","","94.99","0.03","90","","1387.2","0.5","173","2","173","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C22 H35 B Cl2 N4 O S2 Ta -","- C22 H35 B Cl2 N4 O S2 Ta -","- C44 H70 B2 Cl4 N8 O2 S4 Ta2 -","2","0.5","","Hill, Anthony F.; Smith, Matthew K.; Wagler, Jörg","Near Linear Ta−H−B Geometry: [TaCl2(η-C5Me5){κ3-H,S,S′-H2B(methimazolyl)2}]","Organometallics","2008","27","9","2137","","10.1021/om7008099","","","0.71073","MoKα","","0.0365","0.0334","","","0.0837","0.0854","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4070670","10.045","0.002","20.093","0.004","10.41","0.002","90","","91.951","0.003","90","","2099.9","0.7","100","1","100","1","","","","","","","see text","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H65 Br2 La N2 O3 -","- C41 H65 Br2 La N2 O3 -","- C82 H130 Br4 La2 N4 O6 -","2","0.5","","Bambirra, Sergio; Perazzolo, Francesca; Boot, Steven J.; Sciarone, Timo J. J.; Meetsma, Auke; Hessen, Bart","Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands","Organometallics","2008","27","4","704","","10.1021/om700919h","","","0.71073","MoKα","","0.0614","0.0464","","","0.1166","0.1271","","","","","","1.037","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070708","6.8441","0.0007","13.6033","0.0014","7.7636","0.0008","90","","108.98","0.002","90","","683.51","0.12","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H5 Fe2 N O6 S2 -","- C8 H5 Fe2 N O6 S2 -","- C16 H10 Fe4 N2 O12 S4 -","2","0.5","","Stanley, Jane L.; Heiden, Zachariah M.; Rauchfuss, Thomas B.; Wilson, Scott R.; De Gioia, Luca; Zampella, Guiseppe","Desymmetrized Diiron Azadithiolato Carbonyls: A Step Toward Modeling the Iron-Only Hydrogenases.","Organometallics","2008","27","1","119","125","10.1021/om7009599","","","0.71073","MoKα","","0.0322","0.0239","","","0.06","0.0641","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071200","13.19","0.003","19.765","0.004","13.373","0.003","90","","97.16","0.03","90","","3459.2","1.3","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Complex 8","","","- C65 H60 B F30 O3 P2 Rh -","- C65 H60 B F30 O3 P2 Rh -","- C130 H120 B2 F60 O6 P4 Rh2 -","2","0.5","","Salem, Hiyam; Shimon, Linda J. W.; Leitus, Gregory; Weiner, Lev; Milstein, David","B−C Bond Cleavage of BArFAnion Upon Oxidation of Rhodium(I) with AgBArF. Phosphinite Rhodium(I), Rhodium(II), and Rhodium(III) Pincer Complexes","Organometallics","2008","27","10","2293","","10.1021/om800034t","","","0.71073","MoKα","","0.061","0.0497","","","0.0979","0.1014","","","","","","1.126","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071283","10.983","0.002","14.196","0.003","11.017","0.002","90","","106.04","0.03","90","","1650.8","0.6","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H42 Cl4 N2 -","- C33 H42 Cl4 N2 -","- C66 H84 Cl8 N4 -","2","0.5","","Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.","From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis","Organometallics","2008","27","10","2337","","10.1021/om800080e","","","0.71073","MoKα","","0.081","0.0637","","","0.1587","0.1687","","","","","","1.058","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071354","8.624","0.009","10.9514","0.0018","10.323","0.003","90","","106.99","0.03","90","","932.4","1","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","{1,2-bis(dimethylphosphino)ethane}diphenylplatinium(II)","","- C18 H26 P2 Pt -","- C18 H26 P2 Pt -","- C36 H52 P4 Pt2 -","2","0.5","","Canty, Allan J.; Watson, Russell P.; Karpiniec, Samuel S.; Rodemann, Thomas; Gardiner, Michael G.; Jones, Roderick C.","Synthesis and Reactivity of (η1-Alkynyl)diorganoplatinum(IV) Species, Including Structural Studies of PtIMe(p-Tol)(CCSiMe3)(dmpe) [dmpe = 1,2-bis(dimethylphosphino)ethane] and the Platinum(II) Reagent PtPh2(dmpe)","Organometallics","2008","27","13","3203","","10.1021/om800122k","","","0.71073","MoKα","","0.029","0.0275","","","0.0699","0.0709","","","","","","1.073","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071446","9.2928","0.0011","7.633","0.0009","12.4413","0.0015","90","","104.249","0.002","90","","855.34","0.18","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Ethoxy-(benzo[b]thien-2-yl)-methylidene)-(pentacarbonyl)-chromium","","- C16 H10 Cr O6 S -","- C16 H10 Cr O6 S -","- C32 H20 Cr2 O12 S2 -","2","0.5","","Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon","Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium","Organometallics","2008","27","11","2447","","10.1021/om8001735","","","0.71073","MoKα","","0.035","0.0324","","","0.0912","0.0952","","","","","","1.101","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071595","9.7472","0.0003","12.0024","0.0003","11.4226","0.0003","90","","99.241","0.001","90","","1318.98","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H28 Cl4 Ir P -","- C27 H28 Cl4 Ir P -","- C54 H56 Cl8 Ir2 P2 -","2","0.5","","Lebel, Hélène; Ladjel, Chehla","Iridium Complexes in Olefination Reactions","Organometallics","2008","27","11","2676","","10.1021/om800255c","","","1.54178","CuKα","","0.0339","0.0305","","","0.0755","0.0778","","","","","","1.011","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4072119","11.4667","0.0013","8.5646","0.0008","14.1478","0.0016","90","","98.271","0.009","90","","1375","0.3","143","2","143","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H16 Au2 F6 Fe N2 -","- C30 H16 Au2 F6 Fe N2 -","- C60 H32 Au4 F12 Fe2 N4 -","2","0.5","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior","Organometallics","2008","27","24","6419","","10.1021/om8005992","","","0.71073","MoKα","","0.0829","0.0455","","","0.0819","0.091","","","","","","0.878","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072129","7.1875","0.0013","14.16","0.003","9.0408","0.0016","90","","97.959","0.003","90","","911.3","0.3","294","2","294","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H15 I N4 O4 W -","- C15 H15 I N4 O4 W -","- C30 H30 I2 N8 O8 W2 -","2","0.5","","Xie, Yun-Fu; Wen, Zhen-Kang; Tan, Run-Yu; Hong, Juan; Zhao, Shu-Bin; Tang, Liang-Fu","Bis(3,5-dimethylpyrazol-1-yl)acyl and Bis(3,5-dimethylpyrazol-1-yl)methide Carbonyl Tungsten Derivatives","Organometallics","2008","27","21","5684","","10.1021/om800603p","","","0.71073","MoKα","","0.054","0.0354","","","0.0693","0.0751","","","","","","1.025","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072154","8.753","0.003","15.573","0.005","11.017","0.003","90","","110.86","","90","","1403.3","0.8","120","1","120","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H48 N Si2 U -","- C26 H47 N Si2 U -","- C52 H94 N2 Si4 U2 -","2","0.5","","Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.","A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide","Organometallics","2008","27","20","5371","","10.1021/om800622g","","","0.71073","MoKα","","0.1049","0.0787","","","0.2064","0.2123","","","","","","1.539","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072265","7.024","0.002","13.185","0.004","8.438","0.002","90","","101.602","0.004","90","","765.5","0.4","125","2","125","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H21 O2 P2 V -","- C13 H21 O2 P2 V -","- C26 H42 O4 P4 V2 -","2","0.5","","Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don","Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity","Organometallics","2008","27","21","5717","","10.1021/om800712k","","","0.71073","MoKα","","0.0703","0.0391","","","0.0786","0.0834","","","","","","0.857","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072530","14.5348","0.0012","9.9545","0.0009","18.5063","0.0016","90","","91.1816","0.0012","90","","2677","0.4","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H38 F6 Ir N P2 -","- C25 H38 F6 Ir N P2 -","- C100 H152 F24 Ir4 N4 P8 -","4","1","","Cipot, Judy; McDonald, Robert; Ferguson, Michael J.; Schatte, Gabriele; Stradiotto, Mark","Cationic and Formally Zwitterionic Rhodium(I) and Iridium(I) Derivatives of a P,N-Substituted Indene: A Comparative Synthetic, Structural, and Catalytic Investigation","Organometallics","2007","26","3","594","","10.1021/om060758c","","","0.71073","MoKα","","0.0361","0.029","","","0.0706","0.074","","","","","","1.088","","","","has coordinates,has disorder","178614","2020-10-21","18:00:00",""
"4072681","9.5386","0.0008","17.4011","0.0015","9.795","0.0009","90","","111.087","0.001","90","","1516.9","0.2","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C31 H39 N2 O4 Rh -","- C31 H39 N2 O4 Rh -","- C62 H78 N4 O8 Rh2 -","2","0.5","","Praetorius, Jeremy M.; Kotyk, Matthew W.; Webb, Jonathan D.; Wang, Ruiyao; Crudden, Cathleen M.","Rhodium N-Heterocyclic Carbene Carboxylato Complexes: Synthesis, Structure Determination, and Catalytic Activity in the Hydroformylation of Alkenes","Organometallics","2007","26","4","1057","","10.1021/om060942y","","","0.71073","MoKα","","0.0299","0.0277","","","0.0716","0.0729","","","","","","1","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072986","6.877","0.003","13.49","0.005","7.975","0.003","90","","107.903","0.006","90","","704","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O6 S3 -","- C8 H4 Fe2 O6 S3 -","- C16 H8 Fe4 O12 S6 -","2","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Hua, Yu-Juan; Wang, Hu-Ting; Liu, Yang; Hu, Qing-Mei","Diiron Thiadithiolates as Active Site Models for the Iron-Only Hydrogenases: Synthesis, Structures, and Catalytic H2Production","Organometallics","2007","26","8","2106","","10.1021/om061186z","","","0.71073","MoKα","","0.0326","0.0242","","","0.0538","0.0567","","","","","","1.058","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072997","9.5265","0.0018","23.609","0.005","11.124","0.002","90","","113.372","0.012","90","","2296.6","0.8","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H74 Cl2 F3 P2 Ru -","- C45 H74 Cl2 F3 P2 Ru -","- C90 H148 Cl4 F6 P4 Ru2 -","2","0.5","","Caskey, Stephen R.; Stewart, Michael H.; Ahn, Yi Joon; Johnson, Marc J. A.; Rowsell, Jesse L. C.; Kampf, Jeff W.","Synthesis, Structure, and Reactivity of Four-, Five-, and Six-Coordinate Ruthenium Carbyne Complexes","Organometallics","2007","26","8","1912","","10.1021/om061192v","","","0.71073","MoKα","","0.0953","0.053","","","0.0969","0.1109","","","","","","1.03","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4073192","9.688","0.002","9.907","0.003","6.989","0.002","90","","106.35","0.02","90","","643.7","0.3","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H9 Fe N3 -","- C15 H9 Fe N3 -","- C30 H18 Fe2 N6 -","2","0.5","","Nemykin, Victor N.; Maximov, Alexander Y.; Koposov, Alexey Y.","Mercury-Free Preparation, Characterization, and Molecular Structure of Tricyanovinylferrocene Using an Unusual Reaction between Ferrocene and Tetracyanoethylene","Organometallics","2007","26","13","3138","","10.1021/om070160k","","","0.71073","MoKα","","0.0363","0.0324","","0.0666","0.0597","0.0597","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073194","6.946","0.0014","9.8","0.002","9.6527","0.0019","90","","106.26","0.03","90","","630.8","0.2","173","","173","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H9 Fe N3 -","- C15 H9 Fe N3 -","- C30 H18 Fe2 N6 -","2","0.5","","Nemykin, Victor N.; Maximov, Alexander Y.; Koposov, Alexey Y.","Mercury-Free Preparation, Characterization, and Molecular Structure of Tricyanovinylferrocene Using an Unusual Reaction between Ferrocene and Tetracyanoethylene","Organometallics","2007","26","13","3138","","10.1021/om070160k","","","0.71073","MoKα","","0.0637","0.0332","","0.0742","0.0625","0.0625","","","","","","0.9384","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073397","8.6467","0.0002","13.5974","0.0003","9.8469","0.0002","90","","98.525","0.001","90","","1144.93","0.04","173","1","173","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H28 I2 O5 Sn -","- C18 H28 I2 O5 Sn -","- C36 H56 I4 O10 Sn2 -","2","0.5","","Reeske, Gregor; Schürmann, Markus; Costisella, Burkhard; Jurkschat, Klaus","Ph(3-n)XnSnCH2-16-crown-5 (X = F, Cl, Br, I, SCN;n= 1, 2): Intramolecular O →Sn Coordination versus Ditopic Complexation of Sodium Thiocyanate†","Organometallics","2007","26","17","4170","","10.1021/om700304p","","","0.71073","MoKα","","0.0493","0.0282","","","0.0548","0.0581","","","","","","0.959","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073611","6.3023","0.0007","9.9052","0.0011","10.3559","0.0011","90","","90.559","0.002","90","","646.44","0.12","178","2","178","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","06211","","","- C13 H17 Cr N O3 -","- C13 H17 Cr N O3 -","- C26 H34 Cr2 N2 O6 -","2","0.5","","Fischer, Paul J.; Herm, Zoey R.; Kucera, Benjamin E.","[(2-(Trimethylammonium)ethyl)cyclopentadienyl]tricarbonylmetalates: Group VI Metal Zwitterions","Organometallics","2007","26","18","4680","","10.1021/om700497z","","","0.71073","MoKα","","0.0538","0.0499","","","0.1294","0.1314","","","","","","1.021","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073612","6.3508","0.0013","9.796","0.002","10.603","0.002","90","","90.015","0.003","90","","659.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","06172","","","- C13 H17 Mo N O3 -","- C13 H17 Mo N O3 -","- C26 H34 Mo2 N2 O6 -","2","0.5","","Fischer, Paul J.; Herm, Zoey R.; Kucera, Benjamin E.","[(2-(Trimethylammonium)ethyl)cyclopentadienyl]tricarbonylmetalates: Group VI Metal Zwitterions","Organometallics","2007","26","18","4680","","10.1021/om700497z","","","0.71073","MoKα","","0.0371","0.0342","","","0.081","0.0829","","","","","","1.053","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073613","6.335","0.0007","9.7811","0.0011","10.5825","0.0011","90","","90.015","0.002","90","","655.73","0.12","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","06179","","","- C13 H17 N O3 W -","- C13 H17 N O3 W -","- C26 H34 N2 O6 W2 -","2","0.5","","Fischer, Paul J.; Herm, Zoey R.; Kucera, Benjamin E.","[(2-(Trimethylammonium)ethyl)cyclopentadienyl]tricarbonylmetalates: Group VI Metal Zwitterions","Organometallics","2007","26","18","4680","","10.1021/om700497z","","","0.71073","MoKα","","0.022","0.0218","","","0.0557","0.0559","","","","","","1.071","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073696","9.547","0.003","10.589","0.003","14.693","0.004","90","","104.055","0.006","90","","1440.9","0.7","243","2","243","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C17 H26 Br2 Cl6 N2 O Pt S -","- C17 H26 Br2 Cl6 N2 O Pt S -","- C34 H52 Br4 Cl12 N4 O2 Pt2 S2 -","2","0.5","","Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng","Mono- vs Bis(carbene) Complexes: A Detailed Study on Platinum(II)−Benzimidazolin-2-ylidenes","Organometallics","2007","26","18","4612","","10.1021/om700543p","","","0.71073","MoKα","","0.0405","0.0352","","","0.0926","0.0947","","","","","","1.089","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073838","9.3537","0.0002","20.6676","0.0006","15.8981","0.0007","90","","93.302","0.001","90","","3068.29","0.17","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C62 H77 B K O8 P3 S2 -","- C62 H69 B K O8 P3 S2 -","- C124 H138 B2 K2 O16 P6 S4 -","2","0.5","","Doux, Marjolaine; Thuéry, Pierre; Blug, Matthias; Ricard, Louis; Le Floch, Pascal; Arliguie, Thérèse; Mézailles, Nicolas","Anions of Tridentate SPS Ligands: Syntheses, X-ray Structures and DFT Calculations","Organometallics","2007","26","23","5643","","10.1021/om7006634","","","0.71073","MoKα","","0.0669","0.0558","","","0.1543","0.1619","","","","","","1.057","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073888","7.635","0.003","14.65","0.006","11.743","0.005","90","","92.222","0.005","90","","1312.5","0.9","123.1","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H34 Br2 Co N2 O -","- C25 H24 Br2 Co N2 O -","- C50 H48 Br4 Co2 N4 O2 -","2","0.5","","Tanabiki, Masao; Sunada, Yusuke; Nagashima, Hideo","A Bis-[C(trimethylsilyl)-N-arylimino]dimethylsilane, Me3Si(CNAr)SiMe2(CNAr)SiMe3(Ar = 2,6-xylyl), as a New β-Diimine Ligand‖","Organometallics","2007","26","24","6055","","10.1021/om700711r","","","0.7107","MoKα","","","0.0726","","","","0.2381","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074005","9.4546","0.0008","7.1925","0.0004","19.9374","0.0016","90","","91.829","0.01","90","","1355.1","0.18","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H20 O3 Si -","- C12 H20 O3 Si -","- C48 H80 O12 Si4 -","4","1","","Popp, Friedrich; Nätscher, Jennifer B.; Daiss, Jürgen O.; Burschka, Christian; Tacke, Reinhold","The 2,4,6-Trimethoxyphenyl Unit as a Unique Protecting Group for Silicon in Synthesis and the Silylation Potential of (2,4,6-Trimethoxyphenyl)silanes","Organometallics","2007","26","24","6014","","10.1021/om700805p","","","0.71073","MoKα","","0.0626","0.0425","","","0.1046","0.1162","","","","","","1.047","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074165","7.2153","0.0019","8.362","0.002","9.324","0.003","90","","103.351","0.012","90","","547.4","0.3","180","","180","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H13 I N2 Ni -","- C8 H13 I N2 Ni -","- C16 H26 I2 N4 Ni2 -","2","0.5","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.71073","MoKα","","0.1798","0.1451","","0.1286","0.1128","0.1128","","","","","","1.2114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074777","8.594","0.009","13.63","0.02","8.87","0.01","90","","114.75","0.09","90","","944","2","200.2","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H24 Ru -","- C52 H48 Ru -","- C104 H96 Ru2 -","2","0.5","","Shibasaki, Takao; Komine, Nobuyuki; Hirano, Masafumi; Komiya, Sanshiro","Synthesis of Mono-, Di-, and Triruthenium(0) Complexes Having a Triphenylene Ligand†","Organometallics","2006","25","2","523","","10.1021/om050875s","","","0.7107","MoKα","","","0.0774","","","","0.129","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075272","8.0885","0.0016","15.882","0.003","8.9084","0.0018","90","","104.81","0.03","90","","1106.4","0.4","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Cl4 F6 N4 O2 P Rh -","- C13 H12 Cl4 F6 N4 O2 P Rh -","- C26 H24 Cl8 F12 N8 O4 P2 Rh2 -","2","0.5","","Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings","Organometallics","2006","25","12","3063","","10.1021/om060174a","","","0.71073","MoKα","","0.1191","0.0919","","","0.2475","0.2752","","","","","","1.123","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075273","8.0898","0.0005","15.8913","0.001","8.9124","0.0005","90","","104.882","0.001","90","","1107.32","0.12","273","2","273","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Cl4 F6 Ir N4 O2 P -","- C13 H12 Cl4 F6 Ir N4 O2 P -","- C26 H24 Cl8 F12 Ir2 N8 O4 P2 -","2","0.5","","Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings","Organometallics","2006","25","12","3063","","10.1021/om060174a","","","0.71073","MoKα","","0.0579","0.0389","","","0.1059","0.1176","","","","","","1.117","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075354","7.299","0.004","11.283","0.006","8.262","0.005","90","","103.519","0.008","90","","661.6","0.6","213","2","213","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 F2 Ir O -","- C13 H14 F2 Ir O -","- C26 H28 F4 Ir2 O2 -","2","0.5","","Bourgeois, Cheryl J.; Hughes, Russell P.; Yuan, Jian; DiPasquale, Antonio G.; Rheingold, Arnold L.","α- and β-Fluorine Elimination Reactions Induced by Reduction of Iridium−Fluoroalkyl Complexes. Selective Formation of Fluoroalkylidene and Hydrofluoroalkene Ligands","Organometallics","2006","25","12","2908","","10.1021/om060243l","","","0.71073","MoKα","","0.023","0.0224","","","0.0592","0.0596","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4076280","9.5298","0.0008","16.3972","0.0014","11.1057","0.001","90","","103.348","0.001","90","","1688.5","0.3","194","2","194","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H40 Cl5 Cu N2 -","- C29 H40 Cl5 Cu N2 -","- C58 H80 Cl10 Cu2 N4 -","2","0.5","","Mankad, Neal P.; Gray, Thomas G.; Laitar, David S.; Sadighi, Joseph P.","Synthesis, Structure, and CO2Reactivity of a Two-Coordinate (Carbene)copper(I) Methyl Complex","Organometallics","2004","23","6","1191","","10.1021/om034368r","","","0.71073","MoKα","","0.0675","0.0655","","","0.1651","0.1667","","","","","","1.058","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076444","9.5764","0.0006","21.346","0.0014","10.0396","0.0006","90","","108.081","0.001","90","","1950.9","0.2","193","2","193","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C25 H44 F6 O11 P4 Rh2 S2 -","- C25 H44 F6 O11 P4 Rh2 S2 -","- C50 H88 F12 O22 P8 Rh4 S4 -","2","0.5","","Slaney, Michael E.; Anderson, D. Jason; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2, Rh2, and IrRh: Geminal C‒H Activation of α-Olefins","Organometallics","2012","31","6","2286","","10.1021/om201214z","","","0.71073","MoKα","","0.0242","0.0225","","","0.0611","0.0625","","","","","","1.04","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076502","11.5404","0.0014","17.8908","0.0014","13.864","0.003","90","","112.408","0.011","90","","2646.3","0.7","100","","100","","","","","","","","tetrahydrofuran","6","P 1 21/m 1","-P 2yb","11","","(E,E)-1,6,11-tris(4-tolylsulfonyl)-1,6,11-triazacyclopentadeca-3,8-diene- 13-ynenickel(0)-1,5-cyclooctadiene-nickel(0) penta-tetrahydrofuran solute","","- C53 H77 N3 Ni O11 S3 -","- C52.92 H37 N3 Ni O10.98 S3 -","- C105.84 H74 N6 Ni2 O21.96 S6 -","2","0.5","","Brun, Sandra; Pla-Quintana, Anna; Roglans, Anna; Pörschke, Klaus-Richard; Goddard, Richard","Nickel(0) Complexes of Polyunsaturated Azamacrocyclic Ligands","Organometallics","2012","31","5","1983","","10.1021/om201271y","","","0.71073","MoKα","","0.1228","0.073","","","0.1567","0.181","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4076921","5.9268","0.0002","10.7263","0.0004","8.3862","0.0003","90","","97.171","0.002","90","","528.96","0.03","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 Cr N O2 -","- C10 H11 Cr N O2 -","- C20 H22 Cr2 N2 O4 -","2","0.5","","Goh, Lai Yoong; Weng, Zhiqiang; Hor, Andy T. S.; Leong, Weng Kee","Organometallic Radical-Initiated Carbon−Sulfur Bond Cleavage and Carbon−Carbon Coupling in Dithiocarbamate and Thiocarbenoid Cyclopentadienylchromium Complexes","Organometallics","2002","21","21","4408","","10.1021/om020294s","","","0.71073","MoKα","","0.0401","0.0369","","","0.0964","0.0981","","","","","","1.061","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4077457","9.796","0.002","11.19","0.002","12.212","0.002","90","","104.51","0.03","90","","1295.9","0.4","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C13 H2 Bi4 Cl2 Co4 O12 -","- C13 H3 Bi4 Cl2 Co4 O12 -","- C26 H6 Bi8 Cl4 Co8 O24 -","2","0.5","","Gröer, Thomas; Scheer, Manfred","Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†","Organometallics","2000","19","18","3683","","10.1021/om000372g","","","0.71073","MoKα","","0.063","0.0551","","","0.1367","0.1426","","","","","","1.092","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077502","10.4367","0.0011","20.164","0.002","10.573","0.0009","90","","100.243","0.006","90","","2189.6","0.4","193","2","193","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 Cl2 Hf N3 P2 Si2 -","- C42 H53 Cl2 Hf N3 P2 Si2 -","- C84 H106 Cl4 Hf2 N6 P4 Si4 -","2","0.5","","Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.","Nucleophilic Reactivity of the Multiply Bonded Carbon Center in Group 4−Pincer Bis(iminophosphorano)methanediide Complexes","Organometallics","2000","19","18","3462","","10.1021/om000181d","","","0.71073","MoKa","","0.0411","0.0339","","0.0834","0.0798","","","","1.039","1.063","1.063","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4078203","10.0771","0.0005","16.5047","0.0009","15.2788","0.0008","90","","96.256","0.001","90","","2526","0.2","123","1","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C54 H73 K3 N4 O -","- C54 H74 K3 N4 O -","- C108 H148 K6 N8 O2 -","2","0.5","","Deacon, Glen B.; Gardiner, Michael G.; Junk, Peter C.; Townley, Josh P.; Wang, Jun","Rare-Earth Metalation of Calix[4]pyrrole/Calix[4]arene Free of Alkali-Metal Companions","Organometallics","2012","31","10","3857","","10.1021/om2011134","","","0.71073","MoKα","","0.056","0.0452","","","0.1124","0.1203","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078241","7.8446","0.0009","28.21","0.002","8.2365","0.001","90","","114.61","0.014","90","","1657.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H43 Cl2 Ir N2 O6 -","- C33 H43 Cl2 Ir N2 O6 -","- C66 H86 Cl4 Ir2 N4 O12 -","2","0.5","","Azua, Arturo; Mata, Jose A.; Peris, Eduardo; Lamaty, Frederic; Martinez, Jean; Colacino, Evelina","Alternative Energy Input for Transfer Hydrogenation using Iridium NHC Based Catalysts in Glycerol as Hydrogen Donor and Solvent","Organometallics","2012","31","10","3911","","10.1021/om300109e","","","0.71073","MOKα","","0.1048","0.0654","","","0.1155","0.1302","","","","","","1.05","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078728","12.5802","0.0004","27.1104","0.0009","24.6206","0.0008","90","","97.372","0.001","90","","8327.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C96 H112 N4 Y2 -","- C96 H112 N4 Y2 -","- C384 H448 N16 Y8 -","4","1","","Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene","Organometallics","2012","31","15","5349","","10.1021/om300377h","","","0.71073","MoKα","","0.174","0.0704","","","0.1253","0.1462","","","","","","0.996","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078887","12.9471","0.0013","12.1262","0.0013","21.102","0.002","90","","93.458","0.003","90","","3307","0.6","223","2","223","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C23.5 H32.25 B F6 N6.75 P Ru S2 -","- C23.5 H33.25 B F6 N6.25 P Ru S2 -","- C94 H133 B4 F24 N25 P4 Ru4 S8 -","4","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich (Cp*/(HMB))Ru Complexes Containing Bis(methimazolyl)(pyrazolyl)borate (Cp* = η5-C5Me5, HMB = η6-C6Me6)","Organometallics","2012","31","14","5159","","10.1021/om300497p","","","0.71073","MoKα","","0.1798","0.1632","","","0.3434","0.3515","","","","","","1.257","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078943","10.4283","0.0003","12.2666","0.0003","11.9217","0.0003","90","","96.174","0.002","90","","1516.18","0.07","200","0.1","200","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H31 I3 N6 O2 Rh2 -","- C23 H31 I3 N6 O2 Rh2 -","- C46 H62 I6 N12 O4 Rh4 -","2","0.5","","Gonell, Sergio; Poyatos, Macarena; Mata, José A.; Peris, Eduardo","Y-Shaped Tris-N-Heterocyclic-Carbene Ligand for the Preparation of Multifunctional Catalysts of Iridium, Rhodium, and Palladium","Organometallics","2012","31","15","5606","","10.1021/om300569w","","","0.7107","MoKα","","0.0541","0.0356","","","0.0823","0.0936","","","","","","1.065","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4079203","7.532","0.0004","22.7008","0.0011","8.7206","0.0004","90","","105.393","0.001","90","","1437.58","0.12","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[N{(C3F7)C(2-(CF3)C6H3)N}2]Cu(C2H4)","","","- C24 H12 Cu F20 N3 -","- C24 H12 Cu F20 N3 -","- C48 H24 Cu2 F40 N6 -","2","0.5","","Adiraju, Venkata A.K.; Flores, Jaime A.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Copper(I) Ethylene Complexes Supported by 1,3,5-Triazapentadienyl Ligands with Electron-Withdrawing Groups","Organometallics","2012","31","22","7926","","10.1021/om300567v","","","0.71073","MoKα","","0.043","0.0418","","","0.1155","0.118","","","","","","1.051","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079283","12.5473","0.0011","12.5952","0.001","15.1387","0.0014","90","","113.91","0.004","90","","2187.1","0.3","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/m 1","-P 2yb","11","","","","- C19 H18 F3 Mn N4 O6 S -","- C19 H18 F3 Mn N4 O6 S -","- C76 H72 F12 Mn4 N16 O24 S4 -","4","1","","Ruiz, Javier; Garc\?ía, Lucía; Mejuto, Carmen; Perandones, Bernabé F.; Vivanco, Marilín","Divergent Reactivity of Mixed-Ligand Manganese(I) Carbonyl‒Isocyanide Complexes toward Primary Amines","Organometallics","2012","31","17","6420","","10.1021/om3006454","","x-ray","0.7107","MoKα","","0.094","0.0709","","","0.1288","0.1384","","","","","","1.066","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079396","9.6762","0.0002","17.4964","0.0004","9.9031","0.0002","90","","115.002","0.001","90","","1519.47","0.06","193","2","193","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H26 Cu2 N4 S2 -","- C36 H26 Cu2 N4 S2 -","- C72 H52 Cu4 N8 S4 -","2","0.5","","Chen, Chaohuang; Weng, Zhiqiang; Hartwig, John F.","Synthesis of Copper(I) Thiolate Complexes in the Thioetherification of Aryl Halides.","Organometallics","2012","31","22","8031","8037","10.1021/om300711c","","","0.71073","MoKα","","0.0367","0.0279","","","0.072","0.0761","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079399","9.9454","0.0011","25.845","0.003","12.3586","0.0013","90","","106.687","0.001","90","","3042.9","0.6","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C67 H68 Ge3 P4 Pt2 -","- C67 H68 Ge3 P4 Pt2 -","- C134 H136 Ge6 P8 Pt4 -","2","0.5","","Arii, Hidekazu; Hashimoto, Rei; Mochida, Kunio; Kawashima, Takayuki","Syntheses of Di- and Trinuclear Platinum Complexes with Multibridged Germanium Centers Derived from Unsymmetrical Digermanes","Organometallics","2012","31","18","6635","","10.1021/om3007147","","","0.71073","MoKα","","0.0334","0.0276","","","0.0622","0.0646","","","","","","1.054","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079400","11.7251","0.0015","24.701","0.003","11.8731","0.0015","90","","113.173","0.002","90","","3161.3","0.7","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C70 H74 Ge3 P4 Pt2 -","- C70 H74 Ge3 P4 Pt2 -","- C140 H148 Ge6 P8 Pt4 -","2","0.5","","Arii, Hidekazu; Hashimoto, Rei; Mochida, Kunio; Kawashima, Takayuki","Syntheses of Di- and Trinuclear Platinum Complexes with Multibridged Germanium Centers Derived from Unsymmetrical Digermanes","Organometallics","2012","31","18","6635","","10.1021/om3007147","","","0.71073","MoKα","","0.0388","0.0265","","","0.0544","0.0579","","","","","","1.027","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079532","13.6471","0.0002","25.3253","0.0003","17.3337","0.0002","90","","99.907","0.001","90","","5901.49","0.13","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C108 H96 Cl18 F12 Ir2 N4 O2 P6 -","- C108 H96 Cl18 F12 Ir2 N4 O2 P6 -","- C216 H192 Cl36 F24 Ir4 N8 O4 P12 -","2","0.5","","Kuo, Hsin-Ya; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung","N,N′-Dialkylation Catalyzed by Bimetallic Iridium Complexes Containing a Saturated Bis-N-Heterocyclic Carbene (NHC) Ligand","Organometallics","2012","31","20","7248","","10.1021/om300800c","","","0.71073","MoKα","","0.0995","0.0573","","","0.1342","0.1501","","","","","","0.963","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4080006","8.3333","0.0009","7.2581","0.0006","10.0435","0.0012","90","","95.211","0.013","90","","604.96","0.11","291","2","291","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 B F4 N2 O -","- C10 H11 B F4 N2 O -","- C20 H22 B2 F8 N4 O2 -","2","0.5","","Makhloufi, Abdelaziz; Wahl, Michaela; Frank, Walter; Ganter, Christian","A New Mixed Amino‒Amido N-Heterocyclic Carbene Based on Anthranilic Acid","Organometallics","2013","32","3","854","","10.1021/om301152n","","","0.71073","MoKα","","0.1048","0.064","","","0.1906","0.2089","","","","","","1.231","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080291","8.5397","0.0017","22.649","0.004","9.756","0.002","90","","100.18","0.03","90","","1857.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","complex_7","","","- C37 H65 Si2 U -","- C37 H65 Si2 U -","- C74 H130 Si4 U2 -","2","0.5","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.0497","0.0427","","","0.0989","0.1026","","","","","","1.22","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080360","10.652","0.001","26.052","0.001","11.446","0.001","90","","107.083","0.001","90","","3036.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C66 H87 N2 O4 P2 Y -","- C66 H87 N2 O4 P2 Y -","- C132 H174 N4 O8 P4 Y2 -","2","0.5","","Bakewell, Clare; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Long, Nicholas J.; Auffrant, Audrey; Williams, Charlotte K.","Yttrium Phosphasalen Initiators forrac-Lactide Polymerization","Organometallics","2013","32","5","1475","","10.1021/om301129k","","","0.71069","MoKα","","0.0655","0.0512","","","0.1277","0.1416","","","","","","1.033","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080410","7.2856","0.0001","13.551","0.0002","8.3838","0.0002","90","","109.241","0.001","90","","781.47","0.02","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H20 Fe O2 -","- C18 H20 Fe O2 -","- C36 H40 Fe2 O4 -","2","0.5","","Kalman, Steven E.; Petit, Alban; Gunnoe, T. Brent; Ess, Daniel H.; Cundari, Thomas R.; Sabat, Michal","Facile and Regioselective C‒H Bond Activation of Aromatic Substrates by an Fe(II) Complex Involving a Spin-Forbidden Pathway","Organometallics","2013","32","6","1797","","10.1021/om301219t","","","0.71073","MoKα","","0.0312","0.0287","","","0.1071","0.1108","","","","","","0.979","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080444","8.8702","0.0016","9.0088","0.0016","15.678","0.003","90","","95.007","0.003","90","","1248","0.4","193","2","193","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H30 F6 Fe Mn O3 P -","- C23 H30 F6 Fe Mn O3 P -","- C46 H60 F12 Fe2 Mn2 O6 P2 -","2","0.5","","Ghag, Sonam K.; Tarlton, Michael L.; Henle, Ernst A.; Ochoa, Elizabeth M.; Watson, Alex W.; Zakharov, Lev N.; Watson, Eric J.","Synthesis and Structures of Triple-Decker Complexes with a Bridging Tetramethylcyclopentadienyl Ligand","Organometallics","2013","32","6","1851","","10.1021/om301258s","","","0.71073","MoKα","","0.0578","0.0463","","","0.1248","0.1396","","","","","","1.065","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080978","6.8642","0.0014","13.424","0.003","7.7612","0.0016","90","","110.67","0.03","90","","669.1","0.3","113","2","113","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O7 Se2 -","- C8 H4 Fe2 O7 Se2 -","- C16 H8 Fe4 O14 Se4 -","2","0.5","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0549","0.0445","","","0.0876","0.0896","","","","","","0.712","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080979","6.9473","0.0014","13.261","0.003","8.0038","0.0016","90","","108.6","0.03","90","","698.9","0.3","113","2","113","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O6 S Se2 -","- C8 H4 Fe2 O6 S Se2 -","- C16 H8 Fe4 O12 S2 Se4 -","2","0.5","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0271","0.0234","","","0.0609","0.0616","","","","","","1.054","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080980","9.4713","0.0015","7.4385","0.0012","10.8863","0.0017","90","","91.231","0.004","90","","766.8","0.2","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H21 Au N2 O2 -","- C15 H21 Au N2 O2 -","- C30 H42 Au2 N4 O4 -","2","0.5","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0376","0.0345","","","0.0887","0.0911","","","","","","1.075","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4081337","8.9752","0.0014","16.3783","0.0002","10.1876","0.0013","90","","90.7989","0.0013","90","","1497.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H57 B P2 Ru -","- C27 H57 B P2 Ru -","- C54 H114 B2 P4 Ru2 -","2","0.5","","Gloaguen, Yann; Bénac-Lestrille, Gaëtan; Vendier, Laure; Helmstedt, Ulrike; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B‒H) Coordination Mode","Organometallics","2013","32","17","4868","","10.1021/om400610k","","x-ray","0.71073","MoKα","","0.0175","0.0162","","","0.0432","0.0439","","","","","","1.093","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081630","8.486","0.0002","22.6545","0.0005","9.7819","0.0003","90","","100.633","0.001","90","","1848.24","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","complex_11A_hydride","","","- C36 H63 Si2 U -","- C36 H63 Si2 U -","- C72 H126 Si4 U2 -","2","0.5","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0613","0.0447","","","0.0743","0.0786","","","","","","1.098","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081672","9.3966","0.0002","13.8611","0.0003","14.2631","0.0003","90","","94.259","0.002","90","","1852.6","0.07","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H54 F6 N6 Na2 -","- C32 H54 F6 N6 Na2 -","- C64 H108 F12 N12 Na4 -","2","0.5","","Garden, Jennifer A.; Armstrong, David R.; Clegg, William; García-Alvarez, Joaquin; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.; Russo, Luca","Donor-Activated Lithiation and Sodiation of Trifluoromethylbenzene: Structural, Spectroscopic, and Theoretical Insights","Organometallics","2013","32","19","5481","","10.1021/om4007664","","","0.71073","MoKα","","0.0571","0.0416","","","0.1038","0.1125","","","","","","1.045","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081832","10.9048","0.0009","15.866","0.0013","12.1558","0.001","90","","101.82","0.001","90","","2058.5","0.3","173","","173","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C48 H32 Fe2 O4 P4 -","- C48 H32 Fe2 O4 P4 -","- C96 H64 Fe4 O8 P8 -","2","0.5","","Teramoto, Yuichi; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Formation of a Hexacarbonyl Diiron Complex Having a Naphthalene-1,8-bis(phenylphosphido) Bridge and the Electrochemical Behavior of Its Derivatives","Organometallics","2013","32","23","7014","","10.1021/om4006142","","","0.71073","MoKα","","0.0426","0.0331","","","0.0813","0.0867","","","","","","1.045","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4082044","9.6071","0.0002","19.8185","0.0005","13.4726","0.0003","90","","90.911","0.002","90","","2564.84","0.1","170","2","170","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C59 H61 Cr2 N9 -","- C59 H61 Cr2 N9 -","- C118 H122 Cr4 N18 -","2","0.5","","Stevens, Charlotte J.; Nichol, Gary S.; Arnold, Polly L.; Love, Jason B.","Isocyanide and Phosphine Oxide Coordination in Binuclear Chromium Pacman Complexes","Organometallics","2013","32","23","6879","","10.1021/om4009313","","","0.71073","MoKα","","0.0452","0.0343","","","0.082","0.087","","","","","","1.015","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082505","5.8811","0.0012","13.267","0.003","6.5236","0.0013","90","","97.4","0.03","90","","504.76","0.19","172","2","172","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","(2,4-dimethyl-ε^5 ^-pentadienyl)tricarbonylmanganese","","- C10 H11 Mn O3 -","- C10 H11 Mn O3 -","- C20 H22 Mn2 O6 -","2","0.5","","de la Cruz Cruz, José Ignacio; Juárez-Saavedra, Patricia; Paz-Michel, Brenda; Leyva-Ramirez, Marco Antonio; Rajapakshe, Asha; Vannucci, Aaron K.; Lichtenberger, Dennis L.; Paz-Sandoval, M. Angeles","Phosphine-Substituted (η5-Pentadienyl) Manganese Carbonyl Complexes: Geometric Structures, Electronic Structures, and Energetic Properties of the Associative Substitution Mechanism, Including Isolation of the Slipped η3-Pentadienyl Associative Intermediate","Organometallics","2014","33","1","278","","10.1021/om401017t","","x-ray","0.71073","MoKα","","0.0313","0.0283","","","0.0645","0.0661","","","","","","1.069","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082577","10.4817","0.0007","14.8519","0.0009","11.9429","0.0008","90","","101.523","0.0018","90","","1821.7","0.2","123","2","123","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C38 H66 Ru2 -","- C41 H5 Ru2 -","- C82 H10 Ru4 -","2","0.5","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0629","0.0472","","","0.1259","0.1472","","","","","","1.141","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082606","7.021","0.0014","19.501","0.004","10.38","0.002","90","","106.1","0.03","90","","1365.5","0.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H9 N6 O12 Re3 -","- C21 H9 N6 O12 Re3 -","- C42 H18 N12 O24 Re6 -","2","0.5","","Lin, Shih-Ming; Velayudham, Murugesan; Tsai, Chi-Hwe; Chang, Che-Hao; Lee, Chung-Chou; Luo, Tzuoo-Tsair; Thanasekaran, Pounraj; Lu, Kuang-Lieh","A Molecular Triangle as a Precursor Toward the Assembly of a Jar-Shaped Metallasupramolecule","Organometallics","2014","33","1","40","","10.1021/om4005065","","","0.71073","MoKα","","0.0151","0.0128","","","0.0313","0.0316","","","","","","1.133","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082920","10.4411","0.0012","6.8784","0.0008","12.5348","0.0014","90","","97.708","0.002","90","","892.09","0.18","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 Ag F6 N3 O2 -","- C17 H14 Ag F6 N3 O2 -","- C34 H28 Ag2 F12 N6 O4 -","2","0.5","","Flores, Jaime A.; Pal, Kuntal; Carroll, Maria E.; Pink, Maren; Karty, Jonathan A.; Mindiola, Daniel J.; Caulton, Kenneth G.","Mechanistic Understanding of a Silver Pyridylpyrrolide as a Catalyst for 3 + 2 Cyclization of a Nitrile with Diazo Ester","Organometallics","2014","33","7","1544","","10.1021/om400756t","","","0.71073","MoKα","","0.0227","0.0203","","","0.049","0.05","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083636","8.6204","0.0002","7.4012","0.0002","12.1953","0.0003","90","","107.84","0.001","90","","740.66","0.03","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[2-(1-methyl-2-benzoimidazole)-6-methylpyridine]dichlorocobalt","","- C14 H13 Cl2 Co N3 O0 -","- C14 H13 Cl2 Co N3 -","- C28 H26 Cl4 Co2 N6 -","2","0.5","","Sun, Wen-Hua; Hao, Peng; Zhang, Shu; Shi, Qisong; Zuo, Weiwei; Tang, Xiubo; Lu, Xiaoming","Iron(II) and Cobalt(II) 2-(Benzimidazolyl)-6-(1-(arylimino)ethyl)pyridyl Complexes as Catalysts for Ethylene Oligomerization and Polymerization","Organometallics","2007","26","10","2720","","10.1021/om0700819","","","0.71073","MoKα","","","0.0269","","","0.0791","0.0825","","","","","","0.982","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083803","6.7464","0.0005","14.2479","0.001","8.4038","0.0006","90","","112.833","0.004","90","","744.49","0.1","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H18 I N3 Pt -","- C13 H18 I N3 Pt -","- C26 H36 I2 N6 Pt2 -","2","0.5","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.053","0.0323","","","0.0556","0.0594","","","","","","0.925","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083883","10.4816","0.0009","26.2116","0.0016","12.226","0.001","90","","110.867","0.0019","90","","3138.6","0.4","173","","173","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C56 H80 Au2 Cl6 N4 Se2 -","- C56 H80 Au2 Cl6 N4 Se2 -","- C112 H160 Au4 Cl12 N8 Se4 -","2","0.5","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0304","","","","0.0832","","","","","","1.028","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4084098","7.3536","0.0003","9.157","0.0004","20.1027","0.0008","90","","94.364","0.002","90","","1349.73","0.1","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H31 Cl3 Fe Ru -","- C29 H31 Cl3 Fe Ru -","- C58 H62 Cl6 Fe2 Ru2 -","2","0.5","","Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr","Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units","Organometallics","2014","33","18","5020","","10.1021/om500505n","","","0.71073","MoKα","","0.0411","0.0376","","","0.0911","0.0924","","","","","","1.139","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084185","6.4997","0.0002","12.9246","0.0004","12.0586","0.0004","90","","105.5","0.002","90","","976.15","0.05","100","","100","","","","","","","","toluene","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H38 B2 S2 -","- C20 H38 B2 S2 -","- C40 H76 B4 S4 -","2","0.5","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.0414","0.0361","","","0.1008","0.1055","","","","","","0.805","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084584","10.152","","29.764","","10.313","","90","","94.88","","90","","3104.92","","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H89 Fe N3 P2 -","- C65 H90 Fe N3 P2 -","- C130 H180 Fe2 N6 P4 -","2","0.5","","Lin, Ya-Fan; Ichihara, Nobuko; Nakajima, Yumiko; Ozawa, Fumiyuki","Disproportionation of Bis(phosphaethenyl)pyridine Iron(I) Bromide Induced bytBuNC","Organometallics","2014","33","22","6700","","10.1021/om500901a","","","0.7107","MoKα","","0.1059","0.0676","","","0.1683","0.1948","","","","","","0.988","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084666","9.017","0.003","11.509","0.003","9.073","0.003","90","","104.913","0.003","90","","909.9","0.5","199","","199","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H22 O Ru -","- C23 H22 O Ru -","- C46 H44 O2 Ru2 -","2","0.5","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0438","","","","0.0987","","","","","","1.225","","","","has coordinates","275193","2022-05-07","02:47:36",""
"4084707","7.862","0.003","16.139","0.007","10.465","0.004","90","","102.499","0.004","90","","1296.4","0.9","110","2","110","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","(POCOP)Rh(NPh(CH2))","","","- C25 H38 N O2 P2 Rh -","- C25 H38 N O2 P2 Rh -","- C50 H76 N2 O4 P4 Rh2 -","2","0.5","","Timpa, Samuel D.; Pell, Christopher J.; Zhou, Jia; Ozerov, Oleg V.","Fate of Aryl/Amido Complexes of Rhodium(III) Supported by a POCOP Pincer Ligand: C‒N Reductive Elimination, β-Hydrogen Elimination, and Relevance to Catalysis","Organometallics","2014","33","19","5254","","10.1021/om500577w","","","0.71073","MoKα","","0.0268","0.0234","","","0.0599","0.0621","","","","","","1.067","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4085008","10.1468","0.0015","16.477","0.002","11.297","0.0017","90","","102.176","0.001","90","","1846.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C34 H45 Br Cl2 N3 O3 Re -","- C34 H45 Br Cl2 N3 O3 Re -","- C68 H90 Br2 Cl4 N6 O6 Re2 -","2","0.5","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0177","0.0164","","","0.0408","0.0414","","","","","","1.038","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085327","9.2246","0.0001","20.7046","0.0003","11.5888","0.0002","90","","101.066","0.001","90","","2172.21","0.05","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","complex_2_amide","amido(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))uranium(IV)","","- C41 H77 N O Si2 U -","- C41 H78 N O Si2 U -","- C82 H156 N2 O2 Si4 U2 -","2","0.5","","Higgins Frey, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and Reactivity of a Mixed-Sandwich Uranium(IV) Primary Amido Complex","Organometallics","2015","34","11","2102","","10.1021/om501190x","","x-ray","0.71073","MoKα","","0.0367","0.0285","","","0.0593","0.0617","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085350","14.014","0.003","23.494","0.005","20.568","0.004","90","","101.149","0.004","90","","6644","2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H46 Si4 Zr -","- C30 H44.25 Si4 Zr -","- C240 H354 Si32 Zr8 -","8","2","","Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Rosenthal, Uwe; Shur, Vladimir B.","Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene and Its Interaction with Acetylenes. Synthesis and Structures of Novel Seven-Membered Zirconacyclocumulene Complexes","Organometallics","2015","34","11","2471","","10.1021/om501205s","","","0.71073","MoKα","","0.1641","0.0759","","","0.1359","0.1612","","","","","","1.043","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085655","8.9604","0.0001","20.3126","0.0004","9.8847","0.0002","90","","116.193","0.001","90","","1614.36","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H50 N2 Pb -","- C33 H50 N2 Pb -","- C66 H100 N4 Pb2 -","2","0.5","","Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin","β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations","Organometallics","2015","34","11","2515","","10.1021/om501223a","","x-ray","0.71073","MoKα","","0.0262","0.0233","","","0.0571","0.0586","","","","","","1.102","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085656","9.0355","0.0001","20.4803","0.0002","9.7186","0.0002","90","","109.596","0.001","90","","1694.26","0.04","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C34 H52 N2 Pb -","- C34 H52 N2 Pb -","- C68 H104 N4 Pb2 -","2","0.5","","Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin","β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations","Organometallics","2015","34","11","2515","","10.1021/om501223a","","x-ray","0.7107","MoKα","","0.019","0.0172","","","0.0424","0.0434","","","","","","1.013","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085795","11.879","0.0017","14.547","0.002","12.9966","0.0018","90","","114.323","0.002","90","","2046.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H56 F O P2 Rh -","- C45 H56 F O P2 Rh -","- C90 H112 F2 O2 P4 Rh2 -","2","0.5","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.0528","0.0463","","","0.1132","0.1179","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085796","11.8677","0.0004","14.5318","0.0005","13.01","0.0005","90","","114.51","","90","","2041.51","0.13","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H55 F2 O P2 Rh -","- C45 H55 F2 O P2 Rh -","- C90 H110 F4 O2 P4 Rh2 -","2","0.5","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.026","0.023","","","0.0564","0.0578","","","","","","1.025","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086337","8.9145","0.0006","19.8791","0.0012","10.0955","0.0006","90","","114.254","0.0017","90","","1631.13","0.18","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H52 Al F N2 -","- C35 H52 Al F N2 -","- C70 H104 Al2 F2 N4 -","2","0.5","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Nikonov, Georgii I.","Transition Metal-like Oxidative Addition of C‒F and C‒O Bonds to an Aluminum(I) Center","Organometallics","2015","34","22","5363","","10.1021/acs.organomet.5b00793","","","0.71073","MoKα","","0.0457","0.0398","","","0.1105","0.1164","","","","","","1.049","","","","has coordinates","170824","2020-10-21","18:00:00",""
"4086544","6.3051","0.0003","19.326","0.0014","6.3244","0.0005","90","","118.867","0.003","90","","674.89","0.08","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H21 O3 Re -","- C13 H21 O3 Re -","- C26 H42 O6 Re2 -","2","0.5","","Raju, Suresh; van Slagmaat, Christian A. M. R.; Li, Jing; Lutz, Martin; Jastrzebski, Johann T. B. H.; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Synthesis of Cyclopentadienyl-Based Trioxo-rhenium Complexes and Their Use as Deoxydehydration Catalysts","Organometallics","2016","35","13","2178","","10.1021/acs.organomet.6b00120","","","0.71073","MoKα","","0.0261","0.026","","","0.0648","0.0649","","","","","","1.179","","","","has coordinates","184940","2020-10-21","18:00:00",""
"4086649","8.7519","0.0007","18.4759","0.0017","11.7496","0.0011","90","","110.301","0.002","90","","1781.9","0.3","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C35 H38 B Fe N4 O3 -","- C35 H38 B Fe N4 O3 -","- C70 H76 B2 Fe2 N8 O6 -","2","0.5","","Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex","Organometallics","2016","35","17","3069","","10.1021/acs.organomet.6b00599","","","0.71073","MoKα","","0.1338","0.0983","","0.3081","0.2859","0.3081","","","","","","0.9703","","","","has coordinates","186959","2020-10-21","18:00:00",""
"4087048","9.03","0.005","14.267","0.009","9.649","0.006","90","","117.5","0.009","90","","1102.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H18 O6 Si W2 -","- C21 H18 O6 Si W2 -","- C42 H36 O12 Si2 W4 -","2","0.5","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0581","0.0332","","","0.061","0.0679","","","","","","1.04","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087416","8.624","0.0004","12.4051","0.0006","10.7526","0.0006","90","","97.865","0.001","90","","1139.51","0.1","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H28 Fe N2 O4 Sn -","- C21 H28 Fe N2 O4 Sn -","- C42 H56 Fe2 N4 O8 Sn2 -","2","0.5","","Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao","Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands","Organometallics","2015","34","7","1377","","10.1021/acs.organomet.5b00082","","","0.71073","MoKα","","0.0199","0.0192","","","0.0492","0.0496","","","","","","1.061","","","","has coordinates","236789","2020-10-21","18:00:00",""
"4087417","8.427","0.003","12.448","0.005","10.577","0.004","90","","96.899","0.007","90","","1101.5","0.7","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H28 Fe N2 O4 Si -","- C21 H28 Fe N2 O4 Si -","- C42 H56 Fe2 N4 O8 Si2 -","2","0.5","","Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao","Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands","Organometallics","2015","34","7","1377","","10.1021/acs.organomet.5b00082","","","0.71073","MoKα","","0.0346","0.0314","","","0.0821","0.0843","","","","","","1.065","","","","has coordinates","236789","2020-10-21","18:00:00",""
"4087458","9.03","0.0015","6.5561","0.0011","9.5756","0.0016","90","","108.303","0.002","90","","538.21","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H7 Au Cl F3 N2 -","- C9 H7 Au Cl F3 N2 -","- C18 H14 Au2 Cl2 F6 N4 -","2","0.5","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0337","0.0264","","","0.0545","0.0566","","","","","","1","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087576","11.1242","0.0011","15.234","0.0016","11.7171","0.0012","90","","116.335","0.002","90","","1779.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Copper-phosphine complex","","","- C33 H33 B2 Cu F8 N4 P2 -","- C33 H33 B2 Cu F8 N4 P2 -","- C66 H66 B4 Cu2 F16 N8 P4 -","2","0.5","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0651","0.0509","","","0.1207","0.1348","","","","","","1.067","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087756","8.7809","0.0004","21.4011","0.0011","10.6362","0.0005","90","","113.372","0.0007","90","","1834.76","0.15","15","2","15","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","NiBr3dppb","","","- C16.5 H15 Br1.5 Cl3 Ni0.5 P -","- C16.5 H15 Br1.5 Cl3 Ni0.5 P -","- C66 H60 Br6 Cl12 Ni2 P4 -","4","1","","Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.","Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere","Organometallics","2015","34","19","4766","","10.1021/acs.organomet.5b00568","","","0.41328","synchrotron","","0.021","0.0187","","","0.0439","0.0446","","","","","","1.039","","","","has coordinates","236987","2020-10-21","18:00:00",""
"4088626","6.37","0.003","13.996","0.006","10.509","0.005","90","","101.353","0.006","90","","918.6","0.7","273","","273","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H7 Cl7 O Ti -","- C15 H7 Cl7 O Ti -","- C30 H14 Cl14 O2 Ti2 -","2","0.5","","Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands","Organometallics","2016","35","11","1895","","10.1021/acs.organomet.6b00242","","","0.71075","MoKα","","","0.0414","","","","0.2193","","","","","","1.182","","","","has coordinates","237720","2020-10-21","18:00:00",""
"4088762","8.1014","0.0004","19.6607","0.0009","11.7352","0.0006","90","","94.836","0.003","90","","1862.52","0.16","110","2","110","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","1175","","","- C17 H12 F10 N3 O Re -","- C17 H12 F10 N3 O Re -","- C68 H48 F40 N12 O4 Re4 -","4","1","","Lambic, Nikola S.; Lilly, Cassandra P.; Robbins, Leanna K.; Sommer, Roger D.; Ison, Elon A.","Reductive Carbonylation of Oxorhenium Hydrides Induced by Lewis Acids","Organometallics","2016","35","17","2822","","10.1021/acs.organomet.6b00393","","","0.71073","MoKα","","0.0681","0.0457","","","0.1104","0.1242","","","","","","1.046","","","","has coordinates,has disorder","237808","2020-10-21","18:00:00",""
"4088846","5.6899","0.0003","25.685","0.0012","9.5148","0.0004","90","","107.034","0.002","90","","1329.54","0.11","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","meso-1-benzhydryl-3,7-dicyclohexyl-1,3,7-azadiphosphocane","","- C30 H43 N P2 -","- C30 H43 N P2 -","- C60 H86 N2 P4 -","2","0.5","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.044","0.0391","","","","0.1073","","","","","","1.0558","","","","has coordinates","237853","2020-10-21","18:00:00",""
"4089029","9.0062","0.0004","12.5202","0.0005","10.7172","0.0004","90","","107.054","0.001","90","","1155.33","0.08","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H43 Ga N2 -","- C23 H43 Ga N2 -","- C46 H86 Ga2 N4 -","2","0.5","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0245","0.0227","","","0.0592","0.0601","","","","","","1.141","","","","has coordinates,has disorder","237935","2020-10-21","18:00:00",""
"4089607","9.5736","0.0008","9.6865","0.0008","9.9936","0.0008","90","","112.472","0.002","90","","856.38","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H15 N O5 S W -","- C16 H15 N O5 S W -","- C32 H30 N2 O10 S2 W2 -","2","0.5","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.71073","MoKα","","0.0299","0.0257","","","0.0467","0.048","","","","","","0.996","","","","has coordinates,has disorder","243697","2020-10-21","18:00:00",""
"4089611","9.4682","0.0004","7.6448","0.0003","9.7945","0.0004","90","","99.547","0.002","90","","699.13","0.05","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H8 O6 S W -","- C12 H8 O6 S W -","- C24 H16 O12 S2 W2 -","2","0.5","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.71073","MoKα","","0.0276","0.0241","","","0.0541","0.0557","","","","","","1.247","","","","has coordinates","243701","2020-10-21","18:00:00",""
"4100123","8.8819","0.0001","10.268","0.0001","10.9361","0.0001","90","","108.66","0.0004","90","","944.939","0.017","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H18 Mn O2 P -","- C23 H18 Mn O2 P -","- C46 H36 Mn2 O4 P2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050817y","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100174","10.188","0.002","19.669","0.004","10.536","0.002","90","","109.43","0.03","90","","1991","1","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 Al Dy N2 O -","- C45 H60 Al Dy N2 O -","- C90 H120 Al2 Dy2 N4 O2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100175","10.214","0.001","19.606","0.001","10.556","0.001","90","","109.37","0.01","90","","1994","1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 Al N2 O Sm -","- C45 H60 Al N2 O Sm -","- C90 H120 Al2 N4 O2 Sm2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050521s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178747","2020-10-21","18:00:00",""
"4100242","11.0603","0.0009","14.4019","0.0011","15.575","0.0012","90","","103.891","0.001","90","","2408.4","0.3","90","","90","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C94 H14 S4 Sc3 -","- C94 H14 S4 Sc2.996 -","- C188 H28 S8 Sc5.992 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201210","2020-10-21","18:00:00",""
"4100555","6.4449","0.0003","9.0872","0.0004","9.9654","0.0006","90","0.002","96.794","0.0019","90","0.002","579.54","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,3-dimethylcyclopenta[c]thienyltricarbonylmanganese","","","- C12 H9 Mn O3 S -","- C12 H9 Mn O3 S -","- C24 H18 Mn2 O6 S2 -","2","0.5","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4101132","3.73","0.003","12.589","0.008","16.7","0.01","90","","94.6","0.02","90","","781.6","1","293.1","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H8 N5 S2 -","- C18 H8 N5 S2 -","- C36 H16 N10 S4 -","2","0.5","","Yoshikatsu Umezono; Wataru Fujita; Kunio Awaga","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057207i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101314","7.29","0.004","30.69","0.006","6.7","0.003","90","","100.38","0.04","90","","1474","1","293.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl4 Ga S4 Se8 -","- C16 H12 Cl4 Ga S4 Se8 -","- C32 H24 Cl8 Ga2 S8 Se16 -","2","0.5","","Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo","Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.","Journal of the American Chemical Society","2006","128","28","9006","9007","10.1021/ja062277q","","","0.7107","MoKα","","","0.0374","","","","0.1155","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101315","7.29","0.005","30.655","0.004","6.696","0.002","90","","100.42","0.04","90","","1471","1","293.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 Cl4 Fe S4 Se8 -","- C16 H12 Cl4 Fe S4 Se8 -","- C32 H24 Cl8 Fe2 S8 Se16 -","2","0.5","","Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo","Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.","Journal of the American Chemical Society","2006","128","28","9006","9007","10.1021/ja062277q","","","0.7107","MoKα","","","0.0378","","","","0.1188","","","","","","1.372","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101513","6.9746","0.0011","12.471","0.002","7.7054","0.0012","90","","102.12","0.002","90","","655.29","0.18","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 F Mo O2 -","- C13 H15 F Mo O2 -","- C26 H30 F2 Mo2 O4 -","2","0.5","","Huang, Hui; Hughes, Russell P; Landis, Clark R; Rheingold, Arnold L","The simplest binary fluorocarbon as a ligand. Synthetic, spectroscopic, crystallographic, and computational studies of a molybdenum complex of terminally ligated carbon monofluoride (fluoromethylidyne).","Journal of the American Chemical Society","2006","128","23","7454","7455","10.1021/ja062510k","","","0.71073","MoKα","","0.0236","0.0229","","","0.0738","0.0743","","","","","","1.458","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101559","6.327","0.0002","36.536","0.001","14.262","0.0005","90","","90.552","0.003","90","","3296.7","0.18","10","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C68 H56 P4 Pd8 S80 -","4","1","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.063","","","","0.189","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101560","6.3962","0.0003","36.6911","0.0005","7.929","0.0003","90","","114.302","0.002","90","","1695.92","0.1","297","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C34 H28 P2 Pd4 S40 -","2","0.5","","Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi","Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.","Journal of the American Chemical Society","2006","128","31","10016","10017","10.1021/ja063525l","","","0.7107","MoKα","","","0.0332","","","","0.0909","","","","","","1.047","","","","has coordinates","134499","2020-10-21","18:00:00",""
"4101760","7.0551","0.0009","11.6875","0.0014","8.0262","0.001","90","","115.576","0.002","90","","596.96","0.13","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C4 H17 B11 -","- C4 H17 B11 -","- C8 H34 B22 -","2","0.5","","Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.","Journal of the American Chemical Society","2007","129","1","18","19","10.1021/ja067129e","","","0.71073","MoKα","","0.0904","0.0724","","","0.2121","0.2415","","","","","","1.071","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101884","8.2106","0.0014","6.7252","0.0012","12.488","0.002","90","","96.472","0.003","90","","685.2","0.2","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 N4 O3 S -","- C13 H12 N4 O3 S -","- C26 H24 N8 O6 S2 -","2","0.5","","Peihua Xi; Fan Yang; Song Qin; Dongbing Zhao; Jingbo Lan; Ge Gao; Changwei Hu; Jingsong You","Palladium(II)-Catalyzed Oxidative C-H/C-H Cross-Coupling of Heteroarenes","Journal of the American Chemical Society","2010","132","","1822","1824","10.1021/ja909807f","","x-ray","0.71073","MoKα","","0.0529","0.0454","","","0.1332","0.1438","","","","","","1.094","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4102025","8.822","0.0003","20.0098","0.0004","9.7785","0.0003","90","","111.974","0.003","90","","1600.76","0.09","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","HLSi(NH2)-Ni(CO)3","","","- C32 H43 N3 Ni O3 Si -","- C32 H43 N3 Ni O3 Si -","- C64 H86 N6 Ni2 O6 Si2 -","2","0.5","","Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess","Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex","Journal of the American Chemical Society","2010","132","","3038","3046","10.1021/ja910305p","","","0.71073","MoKα","","0.0684","0.0466","","","0.0932","0.0998","","","","","","1.103","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102357","19.6918","0.0009","4.1153","0.0002","24.3607","0.0011","90","","90.02","0.01","90","","1974.13","0.16","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Iron Lead Antinony Selenide (0.96/3.04/4/10)","","- Fe0.96 Pb3.04 Sb4 Se10 -","- Fe0.9615 Pb3.0385 Sb4 Se10 -","- Fe3.846 Pb12.154 Sb16 Se40 -","4","1","","Pierre F. P. Poudeu; Nathan Takas; Clarence Anglin; James Eastwood; Arianna Rivera","Fe~x~Pb~4-x~Sb~4~Se~10~: A New Class of Ferromagnetic Semiconductors with Quasi 1D {Fe~2~Se~10~} Ladders","Journal of the American Chemical Society","2010","132","","5751","5760","10.1021/ja910545e","","","0.71073","MoKα","","0.0282","0.0282","","","0.0664","0.0664","","","","","","1.22","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102359","9.2925","0.0003","14.6281","0.0004","15.0725","0.0005","90","","103.215","0.002","90","","1994.57","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H48 F12 N4 Sb2 -","- C30 H48 F11 N4 Sb2 -","- C60 H96 F22 N8 Sb4 -","2","0.5","","Almaz S. Jalilov; Gaoquan Li; Stephen F. Nelsen; Ilia A. Guzei; Qin Wu","Solution and Solid-State Studies of Doubly Trimethylene-Bridged Tetraalkyl p-Phenylenediamine Diradical Dication Conformations","Journal of the American Chemical Society","2010","132","","6176","6182","10.1021/ja100322k","","","1.54178","Cu-Kα","","0.0551","0.0395","","","0.0862","0.0915","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102622","7.8913","0.0003","22.2515","0.0008","9.1239","0.0003","90","","111.896","0.001","90","","1486.52","0.09","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H36 I Ir P2 Si -","- C31 H36 I Ir P2 Si -","- C62 H72 I2 Ir2 P4 Si2 -","2","0.5","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0199","0.0186","","","0.0415","0.0419","","","","","","1.045","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102714","6.9669","0.0003","12.1166","0.0006","9.4462","0.0004","90","","90.395","0.001","90","","797.38","0.06","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H22 B10 O -","- C11 H22 B10 O -","- C22 H44 B20 O2 -","2","0.5","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0627","0.0525","","","0.1544","0.1662","","","","","","1.044","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102718","11.9958","0.0002","19.8135","0.0005","12.3023","0.0002","90","","106.354","0.001","90","","2805.69","0.1","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","1.2AN","Tetrakis(acetonitrile-1κN)bis{η^3^-μ~3~-1,3-bis[(2-pyridyl-1κN)methyl]- 1<i>H</i>-imidazol-2-ylidene-2κC}dicopper(I) gold(I) tris(hexafluorophosphate) acetonitrile disolvate","","- C42 H46 Au Cu2 F18 N14 P3 -","- C42 H46 Au Cu2 F18 N14 P3 -","- C84 H92 Au2 Cu4 F36 N28 P6 -","2","0.5","","Christoph E. Strasser; Vincent J. Catalano","""On-Off"" Au(I)...Cu(I) Interactions in a Au(NHC)2 Luminescent Vapochromic Sensor","Journal of the American Chemical Society","2010","132","","10009","10011","10.1021/ja104585q","","","0.71073","MoKα","","0.0565","0.041","","","0.1023","0.1104","","","","","","1.04","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102979","7.329","0.0017","16.483","0.004","8.629","0.002","90","","102.646","0.003","90","","1017.1","0.4","220","2","220","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H32 Cl2 Mo N2 -","- C18 H32 Cl2 Mo N2 -","- C36 H64 Cl4 Mo2 N4 -","2","0.5","","Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 ""End-On-Bridged"" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)","Journal of the American Chemical Society","2010","132","","12273","12285","10.1021/ja100469f","","","0.71073","MoKα","","0.0449","0.0325","","","0.0666","0.0699","","","","","","1","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102998","11.7932","0.001","26.194","0.002","13.0147","0.0011","90","","97.469","0.002","90","","3986.3","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","7a","","","- C88 H106 Au3 Cu2 N O7 P2 -","- C88 H106 Au3 Cu2 N O7 P2 -","- C176 H212 Au6 Cu4 N2 O14 P4 -","2","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.1106","0.0544","","","0.1026","0.1219","","","","","","1.028","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4103094","25.225","0.002","19.7976","0.0019","27.139","0.003","90","","95.21","0.001","90","","13497","2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","U26Py11","","","- K20 O185 P22 U26 -","- K20 O185 P22 U26 -","- K40 O370 P44 U52 -","2","0.5","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.0564","0.0481","","","0.1269","0.1299","","","","","","1.055","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103315","6.492","0.0007","6.138","0.0006","7.61","0.0008","90","","91.908","0.004","90","","303.07","0.05","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 O4 -","- C6 H6 O4 -","- C12 H12 O8 -","2","0.5","","James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson","Alkene Syn Dihydroxylation with Malonoyl Peroxides","Journal of the American Chemical Society","2010","132","","14409","14411","10.1021/ja1066674","","","0.71073","MoKα","","0.0541","0.0465","","","0.1095","0.1127","","","","","","1.069","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103448","8.4812","0.0008","13.7542","0.0007","8.5138","0.0007","90","","109.015","0.003","90","","938.96","0.13","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C0 Be2 K2 Na0 O12 Si4 -","- Be1.34 K2.274 O16 Si6.66 -","- Be2.68 K4.548 O32 Si13.32 -","2","0.5","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.1037","0.0866","","","0.2402","0.2626","","","","","","1.041","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103644","8.6214","0.0014","19.146","0.003","9.5494","0.0015","90","","102.381","0.007","90","","1539.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C37 H45 Cr N2 -","- C37 H45 Cr N2 -","- C74 H90 Cr2 N4 -","2","0.5","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0458","0.0369","","","0.0975","0.103","","","","","","1.054","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103814","6.023","0.0002","10.9397","0.0002","6.5172","0.0001","90","","100.728","0.001","90","","421.912","0.017","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 Cr O3 -","- C9 H6 Cr O3 -","- C18 H12 Cr2 O6 -","2","0.5","","Louis J. Farrugia; Cameron Evans; Dieter Lentz; Max Roemer","The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2","Journal of the American Chemical Society","2009","131","","1251","1268","10.1021/ja808303j","","x-ray","0.71073","MoKα","","0.011","0.0084","","","","0.01","","","","","","1.662","","","","has coordinates,has Fobs","178784","2020-10-21","18:00:00",""
"4103890","10.0841","0.0003","15.819","0.0005","11.5732","0.0004","90","","104.946","0.001","90","","1783.7","0.1","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H33 B F10 Si2 Zr -","- C34 H34 B F10 Si2 Zr -","- C68 H68 B2 F20 Si4 Zr2 -","2","0.5","","Juri Ugolotti; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Five-Membered Zirconacycloallenoids: Synthesis and Characterization of Members of a Unique Class of Internally Metal-Stabilized Bent Allenoid Compounds","Journal of the American Chemical Society","2009","131","","1996","2007","10.1021/ja8084302","","","0.71073","MoKα","","0.0957","0.0557","","","0.1191","0.1356","","","","","","1.019","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4104013","13.8153","0.0005","26.2742","0.0007","14.8383","0.0006","90","","108.159","0.004","90","","5117.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C86 H126 Ag17 F3 O6 S -","- C86 H126 Ag17 F3 O6 S -","- C172 H252 Ag34 F6 O12 S2 -","2","0.5","","Shu-Dan Bian; Jian-Hua Jia; Quan-Ming Wang","High-Nuclearity Silver Clusters Templated by Carbonates Generated from Atmospheric Carbon Dioxide Fixation","Journal of the American Chemical Society","2009","131","","3422","3423","10.1021/ja8087696","","","0.71073","MoKα","","0.2079","0.0452","","","0.0648","0.0817","","","","","","0.682","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104265","6.589","0.0018","10.395","0.003","6.6896","0.0019","90","","115.963","0.002","90","","411.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl3 Ti -","- C5 H5 Cl3 Ti -","- C10 H10 Cl6 Ti2 -","2","0.5","","Aaron J. Rossini; Ryan W. Mills; Graham A. Briscoe; Erin L. Norton; Stephen J. Geier; Ivan Hung; Shaohui Zheng; Jochen Autschbach; Robert W. Schurko","Solid-State Chlorine NMR of Group IV Transition Metal Organometallic Complexes","Journal of the American Chemical Society","2009","131","","3317","3330","10.1021/ja808390a","","","0.71073","MoKα","","0.0344","0.0309","","","0.0811","0.0845","","","","","","1.104","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104440","3.876","0.0016","22.776","0.01","5.892","0.003","90","","91.571","0.007","90","","519.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0909","0.0616","","","0.1782","0.2032","","","","","","1.055","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104441","3.8266","0.0002","23.0145","0.0009","5.9776","0.0002","90","","91.777","0.003","90","","526.18","0.04","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.1477","0.083","","","0.2817","0.3529","","","","","","1.059","","","","has coordinates,has disorder","178790","2020-10-21","18:00:00",""
"4104443","4.0165","0.0002","29.8961","0.0012","6.2402","0.0003","90","","90.084","0.004","90","","749.31","0.06","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C32 H36 O12 -","2","0.5","","Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi","Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions","Journal of the American Chemical Society","2009","131","","7247","7249","10.1021/ja902094b","","","0.71073","MoKα","","0.0654","0.0383","","","0.0849","0.0919","","","","","","0.958","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104457","8.8617","0.0005","20.047","0.0008","9.7565","0.0004","90","","112.839","0.006","90","","1597.36","0.15","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","HLSi(OH)-Ni(CO)3","","","- C32 H42 N2 Ni O4 Si -","- C32 H42 N2 Ni O4 Si -","- C64 H84 N4 Ni2 O8 Si2 -","2","0.5","","Antje Meltzer; Carsten Präsang; Matthias Driess","Diketiminate Silicon(II) and Related NHSi Ligands Generated in the Coordination Sphere of Nickel(0)","Journal of the American Chemical Society","2009","131","","7232","7233","10.1021/ja9026727","","","0.71073","MoKα","","0.0803","0.0425","","","0.0895","0.0971","","","","","","0.899","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104497","9.831","0.002","21.651","0.004","11.917","0.002","90","","109.44","0.03","90","","2391.9","0.9","160","2","160","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H86 N2 P2 Ru Si2 -","- C45 H86 N2 P2 Ru Si2 -","- C90 H172 N4 P4 Ru2 Si4 -","2","0.5","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","","0.71073","MoKα","","0.0466","0.0403","","","0.0912","0.0953","","","","","","1.101","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104700","11.36","0.011","27.82","0.02","12.44","0.012","90","","109.908","0.01","90","","3697","6","113.1","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C55 H59 Cl2 F6 Mn4 N7 O24 S2 -","- C55.54 H48 Cl2 F5.82 Mn4 N6.9 O24.3 S2 -","- C111.08 H96 Cl4 F11.64 Mn8 N13.8 O48.6 S4 -","2","0.5","","Masakazu Morimoto; Hitoshi Miyasaka; Masahiro Yamashita; Masahiro Irie","Coordination Assemblies of [Mn4] Single-Molecule Magnets Linked by Photochromic Ligands: Photochemical Control of the Magnetic Properties","Journal of the American Chemical Society","2009","131","","9823","9835","10.1021/ja903366d","","","0.7107","MoK?","","","0.0959","","","","0.1983","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104736","11.638","0.003","19.638","0.004","12.081","0.003","90","","105.992","0.003","90","","2654.2","1.1","213","2","213","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H74 Cl3 Li N2 O4 U -","- C50 H75 Cl3 Li N2 O4 U -","- C100 H150 Cl6 Li2 N4 O8 U2 -","2","0.5","","Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta","Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State","Journal of the American Chemical Society","2009","131","","10406","10420","10.1021/ja9002525","","","0.71073","MoKα","","0.0538","0.0422","","","0.1139","0.1221","","","","","","1.086","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4105068","31.3199","0.0001","66.5281","0.0006","31.002","0.0001","90","","120.28","0.001","90","","55784.5","0.8","123","2","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Co10 H600 Mo88 Na10 O400 -","- Mo87.966 O353.69 -","- Mo351.864 O1414.76 -","4","1","","Hiroyuki Imai; Tomoyuki Akutagawa; Fumito Kudo; Mitsuhiro Ito; Kazuhiro Toyoda; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura","Structure, Magnetism, and Ionic Conductivity of the Gigantic {Mo176}-Wheel Assembly: Na15Fe3Co16[Mo176O528H3(H2O)80]Cl27.450H2O","Journal of the American Chemical Society","2009","131","","13578","13579","10.1021/ja9048042","","x-ray","0.689","","","","0.0752","","","","0.2627","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105200","10.4775","0.0013","16.944","0.002","13.7753","0.0017","90","","103.39","0.002","90","","2379.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Lithium tetrakis(tetrahydrofuran) pentakis(neopentyl) uranium(IV)","","- C41 H37 Li O4 U -","- C41 Li O4 U -","- C82 Li2 O8 U2 -","2","0.5","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.0663","0.0534","","","0.1377","0.158","","","","","","1.106","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105329","6.9458","0.0014","6.5551","0.0013","9.955","0.002","90","","90.42","0.003","90","","453.24","0.16","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- K4 P8 Te4 -","- K4 P8 Te4 -","- K4 P8 Te4 -","1","0.25","","In Chung; Jung-Hwan Song; Myung Gil Kim; Christos D. Malliakas; Angela L. Karst; Arthur J. Freeman; David P. Weliky; Mercouri G. Kanatzidis","The Tellurophosphate K4P8Te4: Phase-Change Properties, Exfoliation, Photoluminescence in Solution and Nanospheres","Journal of the American Chemical Society","2009","131","","16303","16312","10.1021/ja907273g","","","0.71073","MoKα","","0.056","0.0397","","","0.0889","0.0958","","","","","","1.099","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105500","8.768","0.0003","23.6668","0.0007","11.2028","0.0003","90","","111.505","0.002","90","","2162.87","0.12","150","","150","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C19 H11.48 Au2 Br N7 O0.74 Pb -","- C19 H11.4798 Au2 Br N7 O0.7399 Pb -","- C76 H45.9192 Au8 Br4 N28 O2.9596 Pb4 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.099","0.0323","","0.065","0.0366","0.0359","","","","","","0.8448","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105510","7.4085","0.0005","7.0086","0.0005","13.4995","0.0009","90","","95.809","0.001","90","","697.34","0.08","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C17 H21 N O -","- C17 H21 N O -","- C34 H42 N2 O2 -","2","0.5","","Ying-Chieh Wong; Kanniyappan Parthasarathy; Chien-Hong Cheng","Cobalt-Catalyzed Regioselective Synthesis of Pyrrolidinone Derivatives by Reductive Coupling of Nitriles and Acrylamides","Journal of the American Chemical Society","2009","131","","18252","18253","10.1021/ja9088296","","","0.71073","MoKα","","0.0631","0.048","","","0.1315","0.1432","","","","","","1.073","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105980","12.3134","0.0014","23.365","0.003","13.4173","0.0016","90","","115.752","0.001","90","","3476.8","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H104 Si4 Tm4 -","- C64 H104 Si4 Tm4 -","- C128 H208 Si8 Tm8 -","2","0.5","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0406","0.0295","","","0.0623","0.065","","","","","","0.997","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105981","12.3484","0.0013","23.487","0.003","13.463","0.0014","90","","115.768","0.002","90","","3516.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H104 Lu4 Si4 -","- C64 H104 Lu4 Si4 -","- C128 H208 Lu8 Si8 -","2","0.5","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0791","0.0639","","","0.1498","0.1561","","","","","","1.175","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4106166","7.1286","0.0005","14.455","0.0009","7.5552","0.0004","90","","106.741","0.004","90","","745.52","0.08","293","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F9 Fe4 H12 N3 O8 P2 -","- F9 Fe4 H9 N3 O8 P2 -","- F18 Fe8 H18 N6 O16 P4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.1778","0.107","","","0.1879","0.2258","","","","","","1.118","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106572","12.215","0.006","18.138","0.009","17.386","0.008","90","","108.382","0.007","90","","3655","3","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C87 H36 N2 -","- C87 H36 N2 -","- C174 H72 N4 -","2","0.5","","Huaping Li; Chad Risko; Jung Hwa Seo; Casey Campbell; Guang Wu; Jean-Luc Brédas; Guillermo C. Bazan","Fullerene-Carbene Lewis Acid-Base Adducts","Journal of the American Chemical Society","2011","133","","12410","12413","10.1021/ja204974m","","","0.71073","MoKα","","0.4684","0.4","","","0.7571","0.7908","","","","","","3.469","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4106947","14.8753","0.0012","26.441","0.002","15.4218","0.0015","90","","107.903","0.003","90","","5772","0.9","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C130 H88 Cl5 Li N4 S24 -","- C129 H86 Cl3 Li N4 S24 -","- C258 H172 Cl6 Li2 N8 S48 -","2","0.5","","Shunichi Fukuzumi; Kei Ohkubo; Yuki Kawashima; Dong Sub Kim; Jung Su Park; Atanu Jana; Vincent M. Lynch; Dongho Kim; Jonathan L. Sessler","Ion-Controlled On-Off Switch of Electron Transfer from Tetrathiafulvalene Calix[4]pyrroles to Li+@C60","Journal of the American Chemical Society","2011","133","","15938","15941","10.1021/ja207588c","","","0.71075","MoKα","","0.1064","0.071","","","0.1919","0.2056","","","","","","1.282","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107030","8.8669","0.0005","19.9508","0.001","10.3408","0.0005","90","","92.519","0.003","90","","1827.54","0.16","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C86 H116 Fe2 N8 -","2","0.5","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.71073","MoKα","","0.0632","0.0417","","","0.0904","0.0987","","","","","","1.026","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107685","9.862","0.004","13.817","0.006","12.801","0.005","90","","97.573","0.006","90","","1729.1","1.2","141","2","141","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H59 F N U -","- C38 H59 F N U -","- C76 H118 F2 N2 U2 -","2","0.5","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.1027","0.0511","","","0.0833","0.1","","","","","","0.701","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107778","9.747","0.002","19.519","0.005","10.807","0.003","90","","96.48","0.004","90","","2042.9","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","holas06","","","- C45 H69 Fe N5 -","- C45 H69 Fe N5 -","- C90 H138 Fe2 N10 -","2","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0569","0.0429","","","0.1084","0.1169","","","","","","1.037","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107779","9.7911","0.0011","20.071","0.002","10.8467","0.0012","90","","100.282","0.002","90","","2097.3","0.4","223","0.2","223","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","holyy25","","","- C46 H61 Fe N4 -","- C46 H61 Fe N4 -","- C92 H122 Fe2 N8 -","2","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0785","0.0483","","","0.1218","0.1371","","","","","","1.029","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107809","9.228","0.0002","18.6499","0.0003","14.0852","0.0003","90","","92.2427","0.001","90","","2422.22","0.08","160","1","160","1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H26 B Cl F4 N2 O0.5 -","- C26.75 H24 B Cl F4 N2 -","- C107 H96 B4 Cl4 F16 N8 -","4","1","","Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta","Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes","Journal of the American Chemical Society","2008","130","","6848","6858","10.1021/ja800861p","","","0.71073","MoKα","","0.121","0.0813","","","0.2131","0.244","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107979","6.7149","0.0006","11.2061","0.0008","8.4971","0.0008","90","","100.748","0.003","90","","628.17","0.09","100","","100","","","","","","","","Ether","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H20 Cl Fe -","- C13 H20 Cl Fe -","- C26 H40 Cl2 Fe2 -","2","0.5","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.0543","0.0399","","","0.088","0.0938","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108430","11.444","0.002","18.791","0.004","14.883","0.003","90","","110.048","0.01","90","","3006.6","1","100","1","100","1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C95 H8 F30 -","- C95 H8 F30 -","- C190 H16 F60 -","2","0.5","","Ivan E. Kareev; Alexey A. Popov; Igor V. Kuvychko; Natalia B. Shustova; Sergey F. Lebedkin; Vyachevslav P. Bubnov; Oren P. Anderson; Konrad Seppelt; Steven H. Strauss; Olga V. Boltalina","Synthesis and X-ray or NMR/DFT Structure Elucidation of Twenty-One New Trifluoromethyl Derivatives of Soluble Cage Isomers of C76, C78, C84, and C90","Journal of the American Chemical Society","2008","130","","13471","13489","10.1021/ja8041614","","","0.71073","MoKα","","0.0752","0.0557","","","0.155","0.1695","","","","","","1.071","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108484","8.1801","0.0001","13.292","0.0002","8.1852","0.0001","90","","102.405","0.002","90","","869.2","0.02","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H17 N6 O3 Re -","- C15 H17 N6 O3 Re -","- C30 H34 N12 O6 Re2 -","2","0.5","","Miguel A. Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez","From N-Alkylimidazole Ligands at a Rhenium Center: Ring Opening or Formation of NHC Complexes","Journal of the American Chemical Society","2008","130","","13530","13531","10.1021/ja805888f","","","1.54184","CuKα","","0.0234","0.0208","","","0.0555","0.0645","","","","","","1.274","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108553","10.2038","0.0008","19.3075","0.0015","10.2546","0.0008","90","","92.171","0.001","90","","2018.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C34 H24 Au F16 N O S4 -","- C33.99 H24 Au F16 N O S4 -","- C67.98 H48 Au2 F32 N2 O2 S8 -","2","0.5","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Chelsea J. Pyle; Margaret Anne Gray","Reversible Oxidative Addition and Reductive Elimination of Fluorinated Disulfides at Gold(I) Thiolate Complexes: A New Ligand Exchange Mechanism","Journal of the American Chemical Society","2008","130","","14303","14310","10.1021/ja805266r","","","0.71073","MoKα","","0.0778","0.0362","","","0.0827","0.0974","","","","","","0.981","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108643","8.924","0.0002","36.684","0.0011","11.411","0.0003","90","","112.71","0.0015","90","","3445.98","0.16","110","2","110","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C42 H55 Co2 Cr2 F K N O40 -","- C42 H55 Co2 Cr2 F K N O40 -","- C84 H110 Co4 Cr4 F2 K2 N2 O80 -","2","0.5","","Eugenio Coronado; José R. Galán-Mascarós; Carlos Martí-Gastaldo","Single Chain Magnets Based on the Oxalate Ligand","Journal of the American Chemical Society","2008","130","","14987","14989","10.1021/ja806298t","","","0.71073","MoKα","","0.1154","0.0665","","","0.158","0.1756","","","","","","0.895","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108672","8.6825","0.0002","20.3381","0.0004","8.7589","0.0002","90","","119.489","0.001","90","","1346.32","0.05","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H44 Fe2 N2 S2 -","- C25 H42 Fe2 N2 S2 -","- C50 H84 Fe4 N4 S4 -","2","0.5","","Yanhui Chen; Yuhan Zhou; Pingping Chen; Yinsong Tao; Yang Li; Jingping Qu","Nitrogenase Model Complexes [Cp*Fe(μ-SR1)2(μ-η2-R2N=NH)FeCp*] (R1= Me, Et; R2= Me, Ph; Cp* = η5-C5Me5): Synthesis, Structure, and Catalytic N-N Bond Cleavage of Hydrazines on Diiron Centers","Journal of the American Chemical Society","2008","130","","15250","15251","10.1021/ja805025w","","","0.71073","MoKα","","0.0777","0.0731","","","0.1756","0.178","","","","","","1.01","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108969","7.541","0.001","14.318","0.002","14.94","0.003","90","","89.992","0.002","90","","1613.1","0.4","243.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H17 Mn2 N8 O3 -","- C9 H13 Mn2 N8 O2 -","- C36 H52 Mn8 N32 O8 -","4","1","","Wakako Kaneko; Susumu Kitagawa; Masaaki Ohba","Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane): Syntheses, Structures, and Magnetic Behaviors","Journal of the American Chemical Society","2007","129","","248","249","10.1021/ja066140b","","","0.7107","MoKα","","","0.079","","","","0.2168","","","","","","1.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109203","10.302","0.002","20.292","0.004","12.108","0.002","90","","105.38","0.03","90","","2440.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H30 Br6 P2 Re6 S6 -","- C36 H30 Br6 P2 Re6 S6 -","- C72 H60 Br12 P4 Re12 S12 -","2","0.5","","Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard","Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes","Journal of the American Chemical Society","2007","129","","3714","3721","10.1021/ja0668062","","","0.71073","MoKα","","0.2121","0.07","","","0.1575","0.1934","","","","","","0.789","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109279","9.773","0.0015","22.253","0.003","17.334","0.003","90","","98.202","0.007","90","","3731.2","1","100","","100","","","","","","","","local laboratory","2","P 1 21/m 1","-P 2yb","11","","","","- C134 H44 -","- C134 H44 -","- C268 H88 -","2","0.5","","Andrzej Sygula; Frank R. Fronczek; Renata Sygula; Peter W. Rabideau; Marilyn M. Olmstead","A Double Concave Hydrocarbon Buckycatcher","Journal of the American Chemical Society","2007","129","","3842","3843","10.1021/ja070616p","","","0.71073","MoKα","","0.098","0.066","","","0.157","0.178","","","","","","1.022","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109385","9.0366","0.0005","17.4393","0.0009","11.3378","0.0006","90","","109.701","0.001","90","","1682.16","0.16","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 O12 P Pt Re3 -","- C24 H30 O12 P Pt Re3 -","- C48 H60 O24 P2 Pt2 Re6 -","2","0.5","","Richard D. Adams; Burjor Captain; Mark D. Smith; Chad Beddie; Michael B. Hall","Unsaturated Platinum-Rhenium Cluster Complexes. Synthesis, Structures and Reactivity","Journal of the American Chemical Society","2007","129","","5981","5991","10.1021/ja070773o","","","0.71073","MoKα","","0.051","0.04","","","0.0864","0.0911","","","","","","1.062","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109391","10.596","0.002","20.027","0.004","11.671","0.002","90","","91.524","0.004","90","","2475.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C52 H38 Cl2 F12 N4 O -","- C52 H38 Cl2 F12 N4 O -","- C104 H76 Cl4 F24 N8 O2 -","2","0.5","","Chao Liu; Dong-Mei Shen; Qing-Yun Chen","Synthesis and Reactions of 20 π-Electron β-Tetrakis(trifluoromethyl)-meso-tetraphenylporphyrins","Journal of the American Chemical Society","2007","129","","5814","5815","10.1021/ja070855c","","","0.71073","MoKα","","0.1477","0.0841","","","0.2366","0.2709","","","","","","0.954","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109493","6.6952","0.0004","18.1555","0.0014","7.956","0.0006","90","","96.612","0.003","90","","960.66","0.12","99.1","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","0.5","","Suguru Kenmoku; Yasuteru Urano; Hirotatsu Kojima; Tetsuo Nagano","Development of a Highly Specific Rhodamine-Based Fluorescence Probe for Hypochlorous Acid and Its Application to Real-Time Imaging of Phagocytosis","Journal of the American Chemical Society","2007","129","","7313","7318","10.1021/ja068740g","","","0.71075","MoKα","","","0.0489","","","","0.1203","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109844","8.6148","0.0008","18.0404","0.0017","8.8525","0.0008","90","","91.258","0.002","90","","1375.5","0.2","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H36 N8 O U -","- C24 H28 N8 O U -","- C48 H56 N16 O2 U2 -","2","0.5","","Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long","Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer","Journal of the American Chemical Society","2007","129","","10672","10674","10.1021/ja0725044","","","0.71073","MoKα","","0.0421","0.0323","","","0.0721","0.0746","","","","","","1.007","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109918","10.1058","0.0004","13.1552","0.0006","13.5335","0.0005","90","","93.511","0.0011","90","","1795.82","0.13","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37 H56 N2 O2 Ru2 -","- C37 H36 N2 O2 Ru2 -","- C74 H72 N4 O4 Ru4 -","2","0.5","","Takashi Kawashima; Toshiro Takao; Hiroharu Suzuki","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by Diruthenium Complexes","Journal of the American Chemical Society","2007","129","","11006","11007","10.1021/ja074224u","","","0.71069","MoKα","","0.0652","0.0501","","","0.1251","0.1386","","","","","","1.111","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4109920","8.68","0.0006","25.0903","0.0015","11.0863","0.0007","90","","101.55","0.004","90","","2365.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H48 N18 O21 Ru3 Yb2 -","- C24 H22 N18 O21 Ru3 Yb2 -","- C48 H44 N36 O42 Ru6 Yb4 -","2","0.5","","Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward","Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene","Journal of the American Chemical Society","2007","129","","11491","11504","10.1021/ja072672w","","","0.71073","MoKα","","0.0715","0.0487","","","0.1167","0.1416","","","","","","1.176","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4109968","11.4776","0.0009","13.8658","0.0011","13.1682","0.001","90","","103.987","0.001","90","","2033.5","0.3","141","2","141","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C41 H73 I N U -","- C38 H59 I N U -","- C76 H118 I2 N2 U2 -","2","0.5","","Christopher R. Graves; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","Facile Access to Pentavalent Uranium Organometallics: One-Electron Oxidation of Uranium(IV) Imido Complexes with Copper(I) Salts","Journal of the American Chemical Society","2007","129","","11914","11915","10.1021/ja074889w","","","0.71073","MoKα","","0.0462","0.0358","","","0.0857","0.0901","","","","","","0.999","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110093","7.5926","0.0007","10.815","0.001","8.5288","0.0008","90","","115.828","0.002","90","","630.37","0.1","223","2","223","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H20 Cu P -","- C11 H20 Cu P -","- C22 H40 Cu2 P2 -","2","0.5","","Joel A. Tang; Bobby D. Ellis; Timothy H. Warren; John V. Hanna; Charles L. B. Macdonald; Robert W. Schurko","Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes","Journal of the American Chemical Society","2007","129","","13049","13065","10.1021/ja073238x","","","0.71073","MoKα","","0.0775","0.0747","","","0.1646","0.1659","","","","","","1.374","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110132","9.628","0.003","12.277","0.003","12.009","0.003","90","","92.147","0.004","90","","1418.5","0.7","273","2","273","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C26 H42 Li2 N4 -","- C26 H42 Li2 N4 -","- C52 H84 Li4 N8 -","2","0.5","","Brandon Quillian; Yuzhong Wang; Pingrong Wei; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson","Gallepins. Neutral Gallium Analogues of the Tropylium Ion: Synthesis, Structure, and Aromaticity","Journal of the American Chemical Society","2007","129","","13380","13381","10.1021/ja075428d","","","0.71073","MoKα","","0.128","0.0561","","","0.1581","0.2043","","","","","","1.011","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110481","12.964","0.002","25.107","0.004","17.187","0.003","90","","103.35","0.003","90","","5443","1.5","213","2","213","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C103 H106 Cl8 Mo4 N12 O17 -","- C103 H90 Cl8 Mo4 N12 O17 -","- C206 H180 Cl16 Mo8 N24 O34 -","2","0.5","","F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Rongmin Yu","Uniquely Strong Electronic Communication between [Mo2] Units Linked by Dioxolene Dianions","Journal of the American Chemical Society","2006","128","","3281","3290","10.1021/ja0582962","","","0.71073","MoKα","","0.0842","0.057","","","0.1478","0.1694","","","","","","1.041","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110854","16.048","0.002","17.736","0.003","18.142","0.003","90","","115.456","0.014","90","","4662.4","1.4","193","2","193","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C47.5 H90.25 B2 Fe6 Mo2 N17.5 S10.09 Se0.92 -","- C47.5 H38.5 B2 Fe6 Mo2 N17.5 S10.086 Se0.914 -","- C95 H77 B4 Fe12 Mo4 N35 S20.172 Se1.828 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0935","0.0863","","","0.2527","0.2587","","","","","","1.142","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110855","16.18","0.03","17.74","0.02","18.243","0.019","90","","116.2","0.1","90","","4698","12","193","2","193","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","(Et4N)[5].5.5MeCN","","","- C53 H98.5 B2 Fe6 Mo2 N20.5 S8 Se3 -","- C53 H74 B2 Fe6 Mo2 N20 S8.006 Se2.994 -","- C106 H148 B4 Fe12 Mo4 N40 S16.012 Se5.988 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0783","0.0564","","","0.1541","0.1686","","","","","","1.041","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110857","16.6074","0.0019","17.385","0.002","18.396","0.003","90","","116.816","0.002","90","","4740.1","1.1","173","2","173","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","(Et4N)3[7].2.5MeCN","","","- C49 H87.5 B2 Fe6 Mo2 N19.5 S7.8 Se1.2 -","- C49 H20 B2 Fe6 Mo2 N18.5 S7.8 Se1.2 -","- C98 H40 B4 Fe12 Mo4 N37 S15.6 Se2.4 -","2","0.5","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.0842","0.0634","","","0.1785","0.1984","","","","","","1.027","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4110945","10.4063","0.0006","16.072","0.0006","10.7581","0.0006","90","","103.644","0.002","90","","1748.52","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H38 Cl8 N2 Se Sn -","- C27 H38 Cl8 N2 Se Sn -","- C54 H76 Cl16 N4 Se2 Sn2 -","2","0.5","","Jason L. Dutton; Heikki M. Tuononen; Michael C. Jennings; Paul J. Ragogna","Extending the Series: Synthesis and Characterization of a Dicationic N-Heterocyclic Selenium Carbene Analogue","Journal of the American Chemical Society","2006","128","","12624","12625","10.1021/ja064381d","","","0.71073","MoKα","","0.0697","0.0469","","","0.1141","0.1249","","","","","","1.044","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4111317","7.9224","0.0002","16.4652","0.0005","9.3242","0.0002","90","","96.618","0.002","90","","1208.18","0.05","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H27 Cl N2 O2 -","- C29 H27 Cl N2 O2 -","- C58 H54 Cl2 N4 O4 -","2","0.5","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.0659","0.0463","","","0.1042","0.1124","","","","","","1.04","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111656","9.0553","0.0011","7.40105","0.00062","5.59697","0.00042","90","","99.4756","0.0072","90","","369.98","0.06","","","403","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Copper(II) bispyrazolate","catena-(bis(μ~2~-pyrazolato)-copper(ii)) (beta from)","","- C6 H6 Cu N4 -","- C6 Cu N4 -","- C12 Cu2 N8 -","2","0.5","","Augusto Cingolani; Simona Galli; Norberto Masciocchi; Luciano Pandolfo; Claudio Pettinari; Angelo Sironi","Sorption-Desorption Behavior of Bispyrazolato-Copper(II) 1D Coordination Polymers","Journal of the American Chemical Society","2005","127","","6144","6145","10.1021/ja050856+","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112299","7.8462","0.0001","12.9734","0.0002","8.7058","0.0001","90","","115.697","0.0006","90","","798.538","0.019","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 P -","- C20 H21 P -","- C40 H42 P2 -","2","0.5","","J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Branched Phospha[7]triangulanes","Journal of the American Chemical Society","2004","126","","3050","3051","10.1021/ja031648p","","","0.71073","MoKα","","0.0354","0.0307","","","0.0784","0.0812","","","","","","1.047","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112865","8.7648","0.0009","13.7145","0.0014","9.8113","0.001","90","","109.383","0.001","90","","1112.5","0.2","171","1","171","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H37 Mo P2 Si -","- C18 H37 Mo P2 Si -","- C36 H74 Mo2 P4 Si2 -","2","0.5","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.058","0.0481","","0.1302","0.1248","","","","1.059","1.117","1.117","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4113427","8.599","0.004","11.415","0.006","11.722","0.006","90","","96.926","0.014","90","","1142.2","1","228","2","228","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C26 H36 Si W -","- C26 H36 Si W -","- C52 H72 Si2 W2 -","2","0.5","","David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin","Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates","Journal of the American Chemical Society","2003","125","","1403","1420","10.1021/ja027670k","","","0.71073","MoKα","","0.0507","0.0339","","","0.0599","0.0636","","","","","","1.05","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113687","10.4887","0.0002","41.3852","0.001","23.0853","0.0006","90","","99.366","0.001","90","","9887.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C144 H228 N12 O18 P12 Pt6 -","- C144 H218 N12 O18 P12 Pt6 -","- C288 H436 N24 O36 P24 Pt12 -","2","0.5","","Yury K. Kryschenko; S. Russell Seidel; Atta M. Arif; Peter J. Stang","Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles","Journal of the American Chemical Society","2003","125","","5193","5198","10.1021/ja030018k","","","0.71073","MoKα","","0.1434","0.0928","","","0.2755","0.3021","","","","","","1.012","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4115110","10.7855","0.0004","22.7449","0.0011","11.3115","0.0004","90","","101.571","0.003","90","","2718.49","0.19","183.2","","183.2","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C53 H49 B Cl6 F4 Ir N3 P2 -","- C53 H49 B Cl6 F4 Ir N3 P2 -","- C106 H98 B2 Cl12 F8 Ir2 N6 P4 -","2","0.5","","Stephan Gründemann; Anes Kovacevic; Martin Albrecht; Jack W. Faller; Robert H. Crabtree","Abnormal Ligand Binding and Reversible Ring Hydrogenation in the Reaction of Imidazolium Salts with IrH5(PPh3)2","Journal of the American Chemical Society","2002","124","","10473","10481","10.1021/ja026735g","","","0.7107","MoKα","","0.0389","0.039","","0.041","","0.041","","","1.01","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115297","7.6653","0.0008","19.583","0.002","9.0121","0.0009","90","","91.987","0.002","90","","1352","0.2","213","2","213","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 B11 Cl6 N2 O4 -","- C13 H17 B11 Cl6 N2 O4 -","- C26 H34 B22 Cl12 N4 O8 -","2","0.5","","Daniel Stasko; Stephan P. Hoffmann; Kee-Chan Kim; Nathanael L. P. Fackler; Anna S. Larsen; Tatiana Drovetskaya; Fook S. Tham; Christopher A. Reed; Clifton E. F. Rickard; Peter D. W. Boyd; Evgenii S. Stoyanov","Molecular Structure of the Solvated Proton in Isolated Salts. Short, Strong, Low Barrier (SSLB) H-bonds","Journal of the American Chemical Society","2002","124","","13869","13876","10.1021/ja012671i","","","0.71073","MoKα","","0.0545","0.0382","","","0.0962","0.1064","","","","","","1.04","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115847","13.312","0.003","14.871","0.003","14.95","0.009","90","","97.66","0.03","90","","2933","2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28.5 H38 N5 O4.5 P -","- C28.5 H38 N5 O4.5 P -","- C114 H152 N20 O18 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1394","0.0621","","","0.1632","0.22","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115928","15.03","0.003","22.002","0.004","20.016","0.004","90","","99.04","0.03","90","","6537","2","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H64 Ag2 N26 O35 Pt3 -","- C30 H36 Ag2 N26 O35 Pt3 -","- C120 H144 Ag8 N104 O140 Pt12 -","4","1","","Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert","Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd)","Journal of the American Chemical Society","2000","122","","1381","1390","10.1021/ja9931325","","","0.71069","MoKα","","0.1235","0.0801","","0.2513","0.2023","","","","1.016","1.118","1.118","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4116007","16.75","0.003","15.293","0.003","17.608","0.004","90","","107.77","0.03","90","","4295.2","1.7","130","2","130","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Fe(TPPBr4)(NO)]","Nitrosyl-iron(II)-2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin","","- C45.5 H24 Br4 Cl4.5 Fe N5 O -","- C45.5 H24 Br4 Cl4.5 Fe N5 O -","- C182 H96 Br16 Cl18 Fe4 N20 O4 -","4","1","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.1204","0.0755","","","0.1878","0.2321","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116136","10.429","0.002","21.129","0.004","12.695","0.004","90","","106.129","0.014","90","","2687.3","1.1","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H46 Cl3 N12 Ni2 O11 -","- C42.034 H49.966 Cl3 N11.966 Ni2 O17.466 -","- C84.068 H99.932 Cl6 N23.932 Ni4 O34.932 -","2","0.5","","Amy M. Barrios; Stephen J. Lippard","Interaction of Urea with a Hydroxide-Bridged Dinuclear Nickel Center: An Alternative Model for the Mechanism of Urease","Journal of the American Chemical Society","2000","122","","9172","9177","10.1021/ja000202v","","","0.71073","MoKα","","0.1219","0.0659","","","0.1658","0.1902","","","","","","1.122","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116175","10.264","0.0005","22.276","0.001","12.4462","0.0006","90","","112.857","0.001","90","","2622.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C49 H27 Al2 F30 N3 O -","- C49.002 H27.01 Al2 F30 N3 O -","- C98.004 H54.02 Al4 F60 N6 O2 -","2","0.5","","Robert E. LaPointe; Gordon R. Roof; Khalil A. Abboud; Jerzy Klosin","New Family of Weakly Coordinating Anions","Journal of the American Chemical Society","2000","122","","9560","9561","10.1021/ja002664e","","","0.71073","MoKα","","0.0694","0.0444","","","0.1188","0.1292","","","","","","1.028","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116231","11.5194","0.0006","17.1506","0.001","13.0058","0.0007","90","","110.166","0.002","90","","2412","0.2","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 K4 Li4 O8 -","- C32 H72 K4 Li4 O8 -","- C64 H144 K8 Li8 O16 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0441","0.0324","","","0.0853","0.088","","","","","","1.035","","","","has coordinates,has disorder","178933","2020-10-21","18:00:00",""
"4116233","11.705","0.003","17.07","0.005","12.957","0.005","90","0.002","110.347","0.019","90","0.002","2427.3","1.4","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 Li4 O8 Rb4 -","- C32 H72 Li4 O8 Rb4 -","- C64 H144 Li8 O16 Rb8 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0991","0.0437","","","0.0976","0.1088","","","","","","0.904","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116234","12.106","0.003","17.08","0.004","12.913","0.0017","90","","109.541","0.013","90","","2516.2","0.9","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H72 Cs4 Li4 O8 -","- C32 H72 Cs4 Li4 O8 -","- C64 H144 Cs8 Li8 O16 -","2","0.5","","David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey","A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)","Journal of the American Chemical Society","2000","122","","11117","11124","10.1021/ja002217z","","","0.71073","MoKα","","0.0323","0.023","","","0.0595","0.0625","","","","","","1.072","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116295","8.699","0.0011","6.8203","0.0017","9.4167","0.001","90","","111.261","0.009","90","","520.67","0.16","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C4 Cl3 N5 S3 -","- C4 Cl3 N5 S3 -","- C8 Cl6 N10 S6 -","2","0.5","","T. M. Barclay; A. W. Cordes; R. C. Haddon; M. E. Itkis; R. T. Oakley; R. W. Reed; H. Zhang","Preparation and Characterization of a Neutral π-Radical Molecular Conductor","Journal of the American Chemical Society","1999","121","","969","976","10.1021/ja983490s","","","0.7107","MolybdenumKα","","0.032","","","0.036","","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116611","17.7526","0.0003","21.1054","0.0004","17.8629","0.0002","90","","104.505","0.001","90","","6479.47","0.18","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ca H100 N13 O134 P5 W30 -","- Ca O147 P5 W30 -","- Ca2 O294 P10 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.1132","0.084","","","0.2179","0.2382","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116612","17.4987","0.0002","21.5054","0.0003","17.5497","0.0001","90","","104.808","0.001","90","","6384.9","0.12","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ca H94 K5 O153 P5 W30 -","- Ca K5 O153 P5 W30 -","- Ca2 K10 O306 P10 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.0862","0.0589","","","0.1463","0.1632","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116613","16.9079","0.0006","20.9669","0.0007","17.8737","0.0006","90","","113.786","0.001","90","","5798.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H50 K3 O131 P5 U W30 -","- K3 O131 P5 U W30 -","- K6 O262 P10 U2 W60 -","2","0.5","","Kee-Chan Kim; Michael T. Pope; Gennaro J. Gama; Michael H. Dickman","Slow Proton Exchange in Aqueous Solution. Consequences of Protonation and Hydration within the Central Cavity of Preyssler Anion Derivatives, [|M(H2O)|@P5W30O110]n-","Journal of the American Chemical Society","1999","121","","11164","11170","10.1021/ja992105b","","","0.71073","MoKα","","0.1002","0.0703","","","0.1524","0.1664","","","","","","1.108","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4117017","11.105","0.004","25.744","0.007","14.022","0.003","90","","108.09","0.02","90","","3811","2","198","2","198","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C93 H65 N11 O8 -","- C93 H65 N11 O8 -","- C186 H130 N22 O16 -","2","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1841","0.0622","","0.1755","0.1305","","","","1.06","1.164","1.164","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117072","6.334","0.001","16.022","0.002","7.017","0.001","90","","114.13","0.02","90","","649.88","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N10 Ni O6 -","- C6 H14 N8 Ni O8 -","- C12 H28 N16 Ni2 O16 -","2","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0482","0.041","","0.1156","0.1025","","","","1.029","1.057","1.057","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117272","16.4943","0.0017","23.414","0.002","22.372","0.002","90","","97.078","0.002","90","","8574.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 N3.5 O60 P6 Tb8 -","- C111 H221.5 Co6 N3.5 O60 P6 Tb8 -","- C222 H443 Co12 N7 O120 P12 Tb16 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1112","0.0858","","","0.2081","0.2267","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117276","16.519","0.002","23.373","0.003","22.376","0.003","90","","97.303","0.002","90","","8569.3","1.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 Dy8 N3.5 O60 P6 -","- C111 H222.46 Co6 Dy8 N3.5 O60 P6 -","- C222 H444.92 Co12 Dy16 N7 O120 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1499","0.1027","","","0.265","0.3141","","","","","","1.126","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117277","16.5349","0.0018","23.424","0.003","22.442","0.003","90","","96.906","0.002","90","","8629","1.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 Gd8 N3.5 O60 P6 -","- C111 H221.5 Co6 Gd8 N3.5 O60 P6 -","- C222 H443 Co12 Gd16 N7 O120 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1092","0.0792","","","0.1992","0.227","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117280","16.4893","0.001","23.3904","0.0014","22.4186","0.0014","90","","97.557","0.001","90","","8571.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C108 H222 Co6 Ho8 N2 O63 P6 -","- C108 H223 Co6 Ho8 N2 O63 P6 -","- C216 H446 Co12 Ho16 N4 O126 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1121","0.0659","","","0.1598","0.1866","","","","","","1.048","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117396","9.896","0.003","13.06","0.005","11.577","0.004","90","","98.6","0.02","90","","1479.4","0.9","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C27 H31 Cl Cr N2 O5 Si -","- C27 H31 Cl Cr N2 O5 Si -","- C54 H62 Cl2 Cr2 N4 O10 Si2 -","2","0.5","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.56086","AgKα","","0.0372","0.0313","","","0.0877","0.0917","","","","","","1.062","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117503","19.874","0.004","36.991","0.007","26.996","0.005","90","","96.499","0.004","90","","19719","7","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C80 H462 Cl25 Co10 Gd42 O408 -","- C72 H140 Cl25 Co10 Gd42 O305 -","- C144 H280 Cl50 Co20 Gd84 O610 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1269","0.0794","","","0.1991","0.2184","","","","","","0.999","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117504","20.046","0.003","36.868","0.006","26.981","0.004","90","","97.142","0.004","90","","19786","5","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C86 H480 Cl25 Co10 Dy42 O411 -","- C72 H143 Cl25 Co10 Dy42 O314 -","- C144 H286 Cl50 Co20 Dy84 O628 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1341","0.0818","","","0.1882","0.2074","","","","","","1.002","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117505","19.5958","0.0009","36.8464","0.001","27.0024","0.0008","90","","96.293","0.004","90","","19379.2","1.2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H458 Cl24 Gd42 Ni10 O410 -","- C72 H140 Cl24 Gd42 Ni10 O302 -","- C144 H280 Cl48 Gd84 Ni20 O604 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1835","0.0853","","","0.1523","0.1662","","","","","","1.026","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117506","20.0757","0.0011","36.4581","0.0012","27.2538","0.0009","90","","98.715","0.004","90","","19717.3","1.4","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H458 Cl24 Dy42 Ni10 O410 -","- C72 H143 Cl24 Dy42 Ni10 O294 -","- C144 H286 Cl48 Dy84 Ni20 O588 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1246","0.0667","","","0.1401","0.1512","","","","","","1.005","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4118007","8.0127","0.0006","13.3358","0.001","13.9706","0.0011","90","","93.238","0.002","90","","1490.5","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jongc02","Tp'Rh(CNneopentyl)(CCPh)Cl","","- C29 H38 B Cl N7 Rh -","- C29 H38 B Cl N7 Rh -","- C58 H76 B2 Cl2 N14 Rh2 -","2","0.5","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0945","0.0551","","","0.1269","0.1457","","","","","","1.045","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118255","14.6316","0.001","31.498","0.002","15.8161","0.0014","90","","117.548","0.002","90","","6462.7","0.8","90","2","90","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C96 H166 N6 O48 Ti17 -","- C96 H166 N6 O48 Ti17 -","- C192 H332 N12 O96 Ti34 -","2","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0995","0.058","","","0.1319","0.1549","","","","","","1.058","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118935","9.0079","0.0008","6.43969","0.0002","5.16525","0.00018","90","","88.942","0.006","90","","299.58","0.03","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Cu-sidorenkite","","","- C Cu Na3 O7 P -","- C Cu Na3 O7 P -","- C2 Cu2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","2.2897","","","","","","","","","","","1.99","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118936","8.89282","0.00022","6.61758","0.00009","5.1456","0.00007","90","","89.4853","0.0017","90","","302.801","0.009","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Co-sidorenkite","","","- C Co Na3 O7 P -","- C Co Na3 O7 P -","- C2 Co2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.54","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118937","8.82621","0.00009","6.586832","0.000027","5.127293","0.000029","90","","89.2669","0.0007","90","","298.06","0.004","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Ni-sidorenkite","","","- C Na3 Ni O7 P -","- C Na3 Ni O7 P -","- C2 Na6 Ni2 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.32","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118938","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.4","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118939","8.82663","0.00029","6.61646","0.00009","5.15605","0.0001","90","","89.6919","0.0025","90","","301.114","0.012","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Mg-sidorenkite","","","- C Mg Na3 O7 P -","- C Mg Na3 O7 P -","- C2 Mg2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","2.2897","","","","","","","","","","","1.85","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118940","8.95419","0.00013","6.61129","0.00005","5.16023","0.00005","90","","89.6001","0.0013","90","","305.472","0.006","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Fe-sidorenkite","","","- C Fe Na3 O7 P -","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","1.83","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119184","6.5069","0.0011","10.1418","0.0017","11.965","0.002","90","","91.911","0.003","90","","789.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H23 K Mg O -","- C13 H23 K Mg O -","- C26 H46 K2 Mg2 O2 -","2","0.5","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.0981","0.0865","","","0.2454","0.2598","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119931","7.7098","0.0004","8.8646","0.0006","11.5586","0.0005","90","","97.321","0.004","90","","783.52","0.08","290","2","290","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H13 F3 Fe -","- C19 H13 F3 Fe -","- C38 H26 F6 Fe2 -","2","0.5","","Jian-Jun Dai; Chi Fang; Bin Xiao; Jun Yi; Jun Xu; Zhao-Jing Liu; Xi Lu; Lei Liu; Yao Fu","Copper-Promoted Sandmeyer Trifluoromethylation Reaction","Journal of the American Chemical Society","2013","135","","8436","8439","10.1021/ja404217t","","","0.71073","MoKα","","0.089","0.0774","","","0.1775","0.1849","","","","","","1.029","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4120528","3.9163","0.0008","3.8953","0.0007","10.311","0.003","90","","90.788","0.008","90","","157.28","0.06","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- As2 Ca0.73 Fe Pr0.27 -","- As2 Ca0.73 Fe Pr0.2702 -","- As4 Ca1.46 Fe2 Pr0.5404 -","2","0.5","","Yakita, Hiroyuki; Ogino, Hiraku; Okada, Tomoyuki; Yamamoto, Akiyasu; Kishio, Kohji; Tohei, Tetsuya; Ikuhara, Yuichi; Gotoh, Yoshito; Fujihisa, Hiroshi; Kataoka, Kunimitsu; Eisaki, Hiroshi; Shimoyama, Jun-Ichi","A New Layered Iron Arsenide Superconductor: (Ca,Pr)FeAs2.","Journal of the American Chemical Society","2014","136","3","846","849","10.1021/ja410845b","","x-ray","0.71069","MoKα","","","0.116","","","0.157","","","","","6.15","6.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120819","9.671","0.004","16.829","0.007","16.875","0.007","90","","96.35","0.02","90","","2730","2","100","","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C56.11 H83.29 Cl0.94 F5 N O2 P2 Pd -","- C56.12 H83.3 Cl0.94 F5 N O2 P2 Pd -","- C112.24 H166.6 Cl1.88 F10 N2 O4 P4 Pd2 -","2","0.5","","Wan Pyo Hong; Andrei V. Iosub; Shannon S. Stahl","Pd-Catalyzed Semmler-Wolff Reactions for the Conversion of Substituted Cyclohexenone Oximes to Primary Anilines","Journal of the American Chemical Society","2013","135","","13664","13667","10.1021/ja4073172","","x-ray","0.71073","MoKα","K-L~3~","0.0469","0.0396","","","0.0934","0.0973","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","178985","2020-10-21","18:00:00",""
"4121044","6.189","0.005","13.173","0.01","6.284","0.005","90","","90.129","0.011","90","","512.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","TMA-Mn-N3-173K","","","- C4 H12 Mn N10 -","- C4 H12 Mn N10 -","- C8 H24 Mn2 N20 -","2","0.5","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0484","0.0415","","","0.1473","0.1509","","","","","","1.293","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121748","10.1255","0.0018","6.6412","0.001","10.6229","0.0017","90","","92.713","0.009","90","","713.5","0.2","200","","200","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H20 Cl N3 O2 -","- C11 H20 Cl N3 O2 -","- C22 H40 Cl2 N6 O4 -","2","0.5","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","x-ray","0.71073","MoKα","","0.0915","0.0698","","","0.1654","0.1771","","","","","","1.055","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121799","8.9723","0.0002","16.1009","0.0004","11.4418","0.0003","90","","105.978","0.002","90","","1589.05","0.07","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[NMe_4] [L_2 Cu_2 (μ-OH)]","","","- C32.76 H27 Cu2 N8.38 O6.62 -","- C32.372 H27 Cu2 N8.186 O6.816 -","- C64.744 H54 Cu4 N16.372 O13.632 -","2","0.5","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","0.71073","MoKα","","0.0888","0.0701","","","0.195","0.2107","","","","","","1.082","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4122026","8.9717","0.0003","19.8654","0.0007","10.1194","0.0004","90","","113.658","0.002","90","","1651.97","0.11","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H52 Al N3 -","- C33 H52.4 Al N3 -","- C66 H104.8 Al2 N6 -","2","0.5","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0629","0.0457","","","0.1173","0.1286","","","","","","1.026","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122499","11.2309","0.0003","21.0954","0.0006","17.965","0.0006","90","","105.02","0.003","90","","4110.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Fe3 H95 K8 O114 Si2 W18 -","- Fe3 K7.8 O87.6 Si2 W18 -","- Fe6 K15.6 O175.2 Si4 W36 -","2","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.067","0.047","","","0.102","0.113","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122691","9.0265","0.0002","19.804","0.0004","10.3399","0.0003","90","","114.806","0.003","90","","1677.83","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C32 H50 N6 Si2 -","- C32 H50 N6 Si2 -","- C64 H100 N12 Si4 -","2","0.5","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","x-ray","1.54184","CuKα","","0.0759","0.0722","","","0.1848","0.1878","","","","","","1.034","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122893","10.3939","0.0009","4.6419","0.0002","11.1181","0.0009","90","","101.161","0.007","90","","526.27","0.07","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Methylammonium Lead Iodide Hydrate","","","- C H8 I3 N O Pb -","- C H8 I3 N O Pb -","- C2 H16 I6 N2 O2 Pb2 -","2","0.5","","Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G.","Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%","Journal of the American Chemical Society","2014","","","141106073145004","","10.1021/ja509245x","","","0.71073","MoKα","","0.0313","0.0254","","","0.0495","0.0506","","","","","","1.021","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122920","7.4415","0.0011","12.3336","0.0019","13.172","0.002","90","","91.17","0.002","90","","1208.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H33 F3 Ir2 O3 S -","- C21 H33 F3 Ir2 O3 S -","- C42 H66 F6 Ir4 O6 S2 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0245","0.0167","","","0.0372","0.0393","","","","","","1.085","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123184","6.632","0.003","10.479","0.006","7.011","0.004","90","","111.286","0.017","90","","454","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H5 F5 Fe -","- C10 H5 F5 Fe -","- C20 H10 F10 Fe2 -","2","0.5","","Sünkel, Karlheinz; Weigand, Stefan; Hoffmann, Alexander; Blomeyer, Sebastian; Reuter, Christian G.; Vishnevskiy, Yury V.; Mitzel, Norbert W.","Synthesis and characterization of 1,2,3,4,5-pentafluoroferrocene.","Journal of the American Chemical Society","2015","137","1","126","129","10.1021/ja511588p","","x-ray","0.71073","MoKα","","0.029","0.0252","","","0.0699","0.0714","","","","","","1.22","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123701","13.082","0.003","6.8151","0.0016","19.224","0.004","90","","93.616","0.007","90","","1710.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Cu N6 O6 -","- C22 H38 Cu N6 O6 -","- C44 H76 Cu2 N12 O12 -","2","0.5","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.71073","MoKα","","0.0987","0.0635","","","0.1532","0.166","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123964","6.0838","","4.214","","10.361","","90","","98.83","","90","","262.478","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cu0.25 U Te3","","- Cu0.25 Te3 U -","- Cu0.25 Te3 U -","- Cu0.5 Te6 U2 -","2","0.5","","Patschke, R.; Breshears, J.D.; Kannewurf, C.R.; Brazis, P.; Billinge, S.J.L.; Kanatzidis, M.G.","Cux U Te3 : stabilization of U Te3 in the Zr Se3 structure type via copper insertion. the artifact of Te - Te chains and evidence for distortions due to long range modulations","Journal of the American Chemical Society","2001","123","","4755","4762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124127","5.10536","0.00011","6.11225","0.00012","5.29671","0.00011","90","","90.3692","0.0008","90","","165.282","0.006","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li7.5 O8 P0.5 Si1.5 -","- Li7.222 O8 P0.5 Si1.5 -","- Li7.222 O8 P0.5 Si1.5 -","1","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.494","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.4358","1.5857","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124128","11.5556","0.0004","6.0986","0.0002","16.73","0.0005","90","","99.058","0.001","90","","1164.31","0.07","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Li4 O4 Si -","- Li4 O4 Si -","- Li56 O56 Si14 -","14","3.5","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","","","0.71073","MoKα","","0.0775","0.0408","","","0.1221","0.1492","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124288","9.9084","0.0004","26.6982","0.0009","15.8321","0.0006","90","","99.632","0.002","90","","4129.1","0.3","100","2","99.99","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H32 F6 N4 P -","- C36 H32 F6 N4 P -","- C144 H128 F24 N16 P4 -","4","1","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.1168","0.0891","","","0.2626","0.2768","","","","","","1.076","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124571","7.9776","0.0004","10.4105","0.0004","9.8963","0.0005","90","","94.742","0.002","90","","819.08","0.07","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H15 B2 N O -","- C4 H15 B2 N O -","- C16 H60 B8 N4 O4 -","4","1","","Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian","Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.","Journal of the American Chemical Society","2015","137","38","12406","12414","10.1021/jacs.5b08033","","x-ray","0.71073","MoKα","","0.0903","0.0621","","","0.1617","0.1829","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124916","10.31","0.0018","7.0317","0.0013","10.73","0.002","90","","117.339","0.003","90","","691","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","0.5","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.062","0.0538","","","0.1389","0.1488","","","","","","1.048","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124944","13.602","0.004","34.516","0.011","24.963","0.008","90","","105.046","0.005","90","","11318","6","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C160 H146 Cl11 Co10 N30 O102 P5 -","- C160 H146 Cl11.004 Co10 N30 O102 P5 -","- C320 H292 Cl22.008 Co20 N60 O203.999 P10 -","2","0.5","","Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy; Zheng, Shao-Liang; Nocera, Daniel G.","Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts.","Journal of the American Chemical Society","2016","138","12","4229","","10.1021/jacs.6b00762","","","0.71073","MoKα","","0.1089","0.0764","","","0.2072","0.228","","","","","","1.068","","","","has coordinates,has disorder","181430","2020-10-21","18:00:00",""
"4125333","12.2364","0.0013","16.4272","0.0017","24.439","0.003","90","","94.911","0.002","90","","4894.4","0.9","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C55 H67 Co N3 -","- C55 H67 Co N3 -","- C220 H268 Co4 N12 -","4","1","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.1431","0.056","","","0.1182","0.1531","","","","","","1.003","","","","has coordinates,has disorder","193462","2020-10-21","18:00:00",""
"4125334","11.283","0.005","15.718","0.006","12.919","0.005","90","","101.482","0.007","90","","2245.3","1.6","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C51 H63 Co N3 -","- C51 H63 Co N3 -","- C102 H126 Co2 N6 -","2","0.5","","Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song","Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.","Journal of the American Chemical Society","2017","139","1","373","380","10.1021/jacs.6b11043","","","0.71073","MoKα","","0.1306","0.0577","","","0.1016","0.1272","","","","","","0.997","","","","has coordinates,has disorder","193462","2020-10-21","18:00:00",""
"4125387","7.2563","0.0007","19.6314","0.0019","8.5775","0.0008","90","","90.146","0.003","90","","1221.9","0.2","102","2","102","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H16 Cl4 Cu F6 N2 O -","- C21 H16 Cl4 Cu F6 N2 O -","- C42 H32 Cl8 Cu2 F12 N4 O2 -","2","0.5","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0434","0.0355","","","0.0777","0.0809","","","","","","1.072","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125839","16.5654","0.0009","23.626","0.002","30.091","0.002","90","","103.843","0.003","90","","11434.8","1.4","100","1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C180 H150 Ag23 Cl7 P10 Pt2 -","- C180 H150 Ag23 Cl7 P10 Pt2 -","- C360 H300 Ag46 Cl14 P20 Pt4 -","2","0.5","","Bootharaju, Megalamane S.; Kozlov, Sergey M.; Cao, Zhen; Harb, Moussab; Maity, Niladri; Shkurenko, Aleksander; Parida, Manas R.; Hedhili, Mohamed N.; Eddaoudi, Mohamed; Mohammed, Omar F.; Bakr, Osman M.; Cavallo, Luigi; Basset, Jean-Marie","Doping-Induced Anisotropic Self-Assembly of Silver Icosahedra in [Pt2Ag23Cl7(PPh3)10] Nanoclusters.","Journal of the American Chemical Society","2017","139","3","1053","1056","10.1021/jacs.6b11875","","","1.54178","CuKα","","0.2247","0.1646","","","0.444","0.4827","","","","","","2.015","","","","has coordinates,has disorder","193193","2020-10-21","18:00:00",""
"4126015","8.2057","0.0002","18.9164","0.0004","10.956","0.0002","90","","109.946","0.0005","90","","1598.6","0.06","90","2","90","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C37 H48 Sn -","- C37 H48 Sn -","- C74 H96 Sn2 -","2","0.5","","Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.","Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02271","","","1.54178","CuKα","","0.0265","0.0264","","","0.0673","0.0675","","","","","","1.051","","","","has coordinates,has disorder","196555","2020-10-21","18:00:00",""
"4126460","7.4837","0.0003","13.6649","0.0006","9.4899","0.0005","90","","108.138","0.005","90","","922.25","0.08","180","0.2","180","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H27 Cu I P3 -","- C9 H27 Cu I P3 -","- C18 H54 Cu2 I2 P6 -","2","0.5","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","x-ray","0.71073","MoKα","","0.0247","0.0237","","","0.063","0.0637","","","","","","1.068","","","","has coordinates,has disorder","201258","2020-10-21","18:00:00",""
"4126581","7.0367","0.0005","17.1664","0.0012","7.0476","0.0005","90","","97.445","0.003","90","","844.14","0.1","93","2","93","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","0.5","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.1046","0.0683","","","0.1319","0.1484","","","","","","1.142","","","","has coordinates,has disorder","201943","2020-10-21","18:00:00",""
"4126667","11.7973","0.0008","16.8078","0.0011","14.2706","0.0009","90","","94.0714","0.0009","90","","2822.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C48 H21 N -","- C48 H21 N -","- C192 H84 N4 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.0557","0.0487","","","0.1256","0.136","","","","","","1.102","","","","has coordinates,has disorder","202487","2020-10-21","18:00:00",""
"4127067","11.9582","0.0005","14.5158","0.0004","13.0659","0.0005","90","","113.521","0.004","90","","2079.58","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H55 F2 O P2 Rh -","- C45 H55 F2 O P2 Rh -","- C90 H110 F4 O2 P4 Rh2 -","2","0.5","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","x-ray","1.54184","CuKα","","0.0302","0.028","","","0.0716","0.073","","","","","","1.058","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4128396","7.0976","0.0012","12.673","0.003","8.57","0.0015","90","","112.29","0.02","90","","713.3","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H15 Co I2 O -","- C11 H15 Co I2 O -","- C22 H30 Co2 I4 O2 -","2","0.5","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0824","0.0758","","","0.1814","0.1863","","","","","","1.057","","","","has coordinates,has disorder","221517","2020-10-21","18:00:00",""
"4128474","8.0851","0.0009","6.8766","0.0007","10.0457","0.0011","90","","109.579","0.008","90","","526.23","0.1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H11 Cl2 O P -","- C9 H11 Cl2 O P -","- C18 H22 Cl4 O2 P2 -","2","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0361","0.0281","","","0.0675","0.0705","","","","","","1.067","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128475","7.9568","0.0003","7.0412","0.0003","8.3981","0.0003","90","","98.998","0.002","90","","464.72","0.03","100","2","100.01","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H13 O3 P -","- C9 H13 O3 P -","- C18 H26 O6 P2 -","2","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0308","0.0282","","","0.0787","0.0804","","","","","","1.045","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128924","8.5334","0.0017","16.264","0.003","14.678","0.003","90","","100.31","0.03","90","","2004.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 PF6-_ 0.25 H2O","","","- C35 H35 F12 N11 O0.25 P2 -","- C35 H35 F12 N11 O0.25 P2 -","- C70 H70 F24 N22 O0.5 P4 -","2","0.5","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.094","0.0783","","","0.139","0.1478","","","","","","1.04","","","","has coordinates","221960","2020-10-21","18:00:00",""
"4129204","8.053","0.004","7.997","0.003","18.536","0.008","90","","102.503","0.011","90","","1165.4","0.9","298","2","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C6 H20 Ag Bi Br7 Cs N2 -","- C6 H20 Ag Bi Br7 Cs N2 -","- C12 H40 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.2065","0.1304","","","0.2742","0.3171","","","","","","1.048","","","","has coordinates,has disorder","231167","2020-10-21","18:00:00",""
"4129210","8.008","0.01","7.877","0.009","18.31","0.02","90","","102.6","0.03","90","","1127","2","293","2","293","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C6 H20 Ag Bi0.52 Br7 Cs In0.48 N2 -","- C6 H20 Ag Bi0.52 Br7 Cs In0.48 N2 -","- C12 H40 Ag2 Bi1.04 Br14 Cs2 In0.96 N4 -","2","0.5","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.1908","0.1313","","","0.2581","0.2802","","","","","","1.16","","","","has coordinates,has disorder","231173","2020-10-21","18:00:00",""
"4129310","9.1304","0.0008","13.7261","0.0012","9.4089","0.0008","90","","118.597","0.0011","90","","1035.32","0.16","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H18 Br4 O3 -","- C20 H18 Br4 O3 -","- C40 H36 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.032","0.0264","","","0.0624","0.0651","","","","","","1.038","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129311","9.0493","0.0007","13.3796","0.001","9.3465","0.0007","90","","118.359","0.0009","90","","995.83","0.13","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H18 Br4 O3 -","- C20 H18 Br4 O3 -","- C40 H36 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0163","0.015","","","0.0391","0.0396","","","","","","1.076","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129761","6.4114","0.0009","7.6648","0.0005","10.4946","0.0016","90","","106.247","0.013","90","","495.13","0.11","293","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Manganese silicon carbide","","","- C4 Mn17 Si2 -","- C4 Mn17 Si2 -","- C8 Mn34 Si4 -","2","0.5","","Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C.","Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.","Journal of the American Chemical Society","2016","138","1","248","256","10.1021/jacs.5b10355","","x-ray","0.71073","MoKα","","0.0505","0.0329","","","0.0338","0.0383","","","","1.19","1.19","1.16","","","","has coordinates","240419","2020-10-21","18:00:00",""
"4130528","14.6092","0.0004","21.8659","0.0005","16.3877","0.0005","90","","106.917","0.002","90","","5008.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C63 H124 Bi11 K3 N8 O18 Tl2 U -","- C62.5 H124 Bi11 K3 N8 O18 Tl2 U -","- C125 H248 Bi22 K6 N16 O36 Tl4 U2 -","2","0.5","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.0797","0.056","","","0.1198","0.1275","","","","","","1.185","","","","has coordinates,has disorder","240935","2020-10-21","18:00:00",""
"4131572","11.0874","0.0005","17.363","0.0007","18.0711","0.0008","90","","97.398","0.003","90","","3449.9","0.3","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C70 H62 Br2 F24 N8 P4 -","- C70 H62 Br2 F24 N8 P4 -","- C140 H124 Br4 F48 N16 P8 -","2","0.5","","Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mechanical-Bond-Protected, Air-Stable Radicals.","Journal of the American Chemical Society","2017","139","36","12704","12709","10.1021/jacs.7b06857","","","1.54178","CuKα","","0.0795","0.0705","","","0.2042","0.2137","","","","","","1.06","","","","has coordinates,has disorder","241751","2020-10-21","18:00:00",""
"4131786","9.4147","0.0004","18.9452","0.0008","12.4092","0.0005","90","","100.67","0.0006","90","","2175.08","0.16","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H58 Mg N6 O2 Si3 -","- C44 H58 Mg N6 O2 Si3 -","- C88 H116 Mg2 N12 O4 Si6 -","2","0.5","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.0536","0.0389","","","0.0948","0.1032","","","","","","1.029","","","","has coordinates","241938","2020-10-21","18:00:00",""
"4131877","15.2204","0.0006","37.8175","0.0016","29.2768","0.0013","90","","103.518","0.002","90","","16384.8","1.2","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C26 H168 N13 Na19 O254 P4 Te4 W64 -","- C1.6 N0.9 Na4.2 O264.3 P4 Te4 W64 -","- C3.2 N1.8 Na8.4 O528.6 P8 Te8 W128 -","2","0.5","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1198","0.0979","","","0.2011","0.214","","","","","","1.253","","","","has coordinates","241971","2020-10-21","18:00:00",""
"4132028","16.7178","0.0004","34.1498","0.0006","18.9986","0.0003","90","","96.009","0.004","90","","10786.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C164 H120 B4 F16 N40 O24 Pd4 S3 -","- C164 H120 B4 F16 N40 O24 Pd4 S3 -","- C328 H240 B8 F32 N80 O48 Pd8 S6 -","2","0.5","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","1.54184","CuKα","","0.1375","0.1186","","","0.3659","0.3949","","","","","","1.63","","","","has coordinates,has disorder","242070","2020-10-21","18:00:00",""
"4132096","8.0848","0.0003","7.9801","0.0003","19.8422","0.0008","90","","101.755","0.002","90","","1253.32","0.08","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","bis(butylammonium) cesium heptabromoargentobismuthate","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0317","0.0275","","","0.0646","0.0669","","","","","","1.087","","","","has coordinates,has disorder","242138","2020-10-21","18:00:00",""
"4132308","12.403","0.003","33.488","0.007","12.991","0.003","90","","96.43","0.03","90","","5362","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C53 H49.5 Mn2 N7.5 O10.5 -","- C49.5 H46.5 Mn2 N7.5 O10.5 -","- C198 H186 Mn8 N30 O42 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0888","0.0787","","","0.2085","0.2147","","","","","","1.074","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132309","12.422","0.003","33.152","0.007","13.004","0.003","90","","95.44","0.03","90","","5331","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C52 H48 Mn2 N7.5 O8.5 -","- C48.5 H44 Mn2 N7.5 O8.5 -","- C194 H176 Mn8 N30 O34 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0776","0.0678","","","0.184","0.1899","","","","","","1.083","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132310","12.3848","0.0017","33.886","0.005","12.8929","0.0012","90","","99.101","0.01","90","","5342.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H52 Br0.5 Mn2 N6 O11 -","- C39 H33 Br0.5 Mn2 N6 O8 -","- C156 H132 Br2 Mn8 N24 O32 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.1541","0.077","","","0.1878","0.2169","","","","","","0.92","","","","has coordinates,has disorder","242304","2020-10-21","18:00:00",""
"4132311","12.461","0.003","33.626","0.007","13.016","0.003","90","","96.09","0.03","90","","5423","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C51.5 H45.5 Mn2 N7.5 O8.5 -","- C44.5 H37.5 Mn2 N7.5 O8.5 -","- C178 H150 Mn8 N30 O34 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.71073","Synchrotron","","0.0914","0.083","","","0.258","0.2682","","","","","","1.068","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132312","12.418","0.003","32.716","0.007","12.989","0.003","90","","94.42","0.03","90","","5261","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C49.5 H45 Mn2 N7.5 O7.5 -","- C39 H33 Mn2 N7.5 O7.5 -","- C156 H132 Mn8 N30 O30 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0831","0.0719","","","0.1936","0.2004","","","","","","1.027","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132907","11.064","0.0005","6.8437","0.0003","11.2124","0.0005","90","","108.073","0.002","90","","807.1","0.06","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C38 H36 N8 O4 -","2","0.5","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0403","0.0368","","","0.0952","0.0984","","","","","","1.108","","","","has coordinates","242782","2020-10-21","18:00:00",""
"4133257","13.6519","0.0008","15.7069","0.0009","17.7443","0.001","90","","93.209","0.003","90","","3798.9","0.4","150","2","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C84 H86 N2 O11 -","- C84 H86 N2 O11 -","- C168 H172 N4 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.1113","0.1025","","","0.3437","0.3583","","","","","","1.632","","","","has coordinates,has disorder","243089","2020-10-21","18:00:00",""
"4133259","11.551","0.0008","16.7298","0.0011","17.9121","0.0012","90","","94.897","0.003","90","","3448.8","0.4","150","2","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C70 H72 N4 O11 -","- C70 H72 N4 O11 -","- C140 H144 N8 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0679","0.0568","","","0.1514","0.1589","","","","","","1.044","","","","has coordinates","243091","2020-10-21","18:00:00",""
"4133265","13.286","0.003","20.911","0.004","12.852","0.003","90","","75.33","0.03","90","","3454.2","1.4","148","2","148.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C69 H71 N3 O11 -","- C69 H69 N3 O11 -","- C138 H138 N6 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0832","0.0779","","","0.2269","0.2327","","","","","","1.089","","","","has coordinates,has disorder","243097","2020-10-21","18:00:00",""
"4133911","8.76533","0.0001","40.6863","0.0004","21.4744","0.0002","90","","98.1999","0.001","90","","7580.09","0.14","93","","93","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C81 H53 Cl15 N8 -","- C81 H52 Cl15 N8 -","- C324 H208 Cl60 N32 -","4","1","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.1275","0.1104","","","0.3106","0.3274","","","","","","1.043","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4134664","12.88","0.003","20.339","0.004","15.174","0.003","90","","114.07","0.03","90","","3629.4","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H81 Cd N11 O33 -","- C65 H53 Cd N11 O33 -","- C130 H106 Cd2 N22 O66 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0647","0.0637","","","0.1754","0.1764","","","","","","1.009","","","","has coordinates","250572","2020-10-21","18:00:00",""
"4134693","14.8683","0.0017","35.964","0.004","15.7673","0.0018","90","","115.88","0.003","90","","7585.6","1.5","120","2","119.99","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H34 F3 N10 O10 S Zn2 -","- C37 H34 F3 N10 O10 S Zn2 -","- C148 H136 F12 N40 O40 S4 Zn8 -","4","1","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.2173","0.1471","","","0.423","0.4519","","","","","","1.329","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134779","9.1436","0.0009","13.9372","0.0013","15.675","0.0013","90","","97.531","0.004","90","","1980.3","0.3","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","['N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper fluoride fluorobenzene solvate","","- C43 H47 Cu F3 N3 O2 -","- C43 H47 Cu F3 N3 O2 -","- C86 H94 Cu2 F6 N6 O4 -","2","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0698","0.0474","","","0.0922","0.0992","","","","","","1.057","","","","has coordinates,has disorder","251085","2020-10-21","18:00:00",""
"4300226","5.3534","0.0004","5.5989","0.0004","10.5851","0.0009","90","","101.055","0.009","90","","311.38","0.04","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Ammonium Pentafluorosulfanylnitramide","","- F5 H4 N3 O2 S -","- F5 H4 N3 O2 S -","- F10 H8 N6 O4 S2 -","2","0.5","","Michael E. Sitzmann; Richard Gilardi; Ray J. Butcher; William M. Koppes; Alfred G. Stern; Joseph S. Thrasher; Nirupam J. Trivedi; Zhen-Yu Yang","Pentafluorosulfanylnitramide Salts","Inorganic Chemistry","2000","39","","843","850","10.1021/ic991281i","","","1.54178","CuKα","","0.0519","0.0468","","","0.1305","0.1354","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300227","5.17","0.002","5.426","0.001","10.577","0.004","90","","101.49","0.03","90","","290.76","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Potassium Pentafluorosulfanylnitramide","","- F5 K N2 O2 S -","- F5 K N2 O2 S -","- F10 K2 N4 O4 S2 -","2","0.5","","Michael E. Sitzmann; Richard Gilardi; Ray J. Butcher; William M. Koppes; Alfred G. Stern; Joseph S. Thrasher; Nirupam J. Trivedi; Zhen-Yu Yang","Pentafluorosulfanylnitramide Salts","Inorganic Chemistry","2000","39","","843","850","10.1021/ic991281i","","","0.71073","MoKα","","0.046","0.0417","","","0.1051","0.1128","","","","","","1.074","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300393","5.6586","0.0011","8.6566","0.0017","12.404","0.003","90","","102.72","0.03","90","","592.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- F15 O Sb Xe2 -","- F15 O Sb Xe2 -","- F30 O2 Sb2 Xe4 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0510260","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300460","10.592","0.001","17.145","0.001","9.741","0.002","90","","104.2","0.01","90","","1714.9","0.8","296.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H52 B Cu N6 O -","- C31 H52 B Cu N6 O -","- C62 H104 B2 Cu2 N12 O2 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300496","12.664","0.003","3.8816","0.001","27.329","0.007","90","","94.377","0.006","90","","1339.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu In17 Pb8 S34 -","- Cu In17 Pb8 S34 -","- Cu In17 Pb8 S34 -","1","0.25","","Lee, Chi-Shen; Kuan-Chen, Wang","","Inorganic Chemistry","2006","","","","","10.1021/ic051447h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300497","12.657","0.003","3.881","0.0008","27.459","0.006","90","","94.36","0.03","90","","1344.9","0.5","571","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ag In17 Pb8 S34 -","- Ag In17 Pb8 S34 -","- Ag In17 Pb8 S34 -","1","0.25","","Lee, Chi-Shen; Kuan-Chen, Wang","","Inorganic Chemistry","2006","","","","","10.1021/ic051447h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300498","12.701","0.003","3.8794","0.0009","27.359","0.006","90","","94.347","0.004","90","","1344.2","0.5","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Au In17 Pb8 S34 -","- Au In17 Pb8 S34 -","- Au In17 Pb8 S34 -","1","0.25","","Lee, Chi-Shen; Kuan-Chen, Wang","","Inorganic Chemistry","2006","","","","","10.1021/ic051447h","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300547","8.4529","0.0013","15.7403","0.0016","11.3069","0.0011","90","","95.03","0.01","90","","1498.6","0.3","293","","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C17 H38 Au Cl Cu2 N8 O7 -","- C17 H38 Au Cl Cu2 N8 O7 -","- C34 H76 Au2 Cl2 Cu4 N16 O14 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515094","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300558","8.6643","0.0005","9.0576","0.0006","11.1165","0.0007","90","","100.779","0.001","90","","857.01","0.09","243","2","243","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H5 F9 O8 Ru2 -","- C9 H5 F8.91 O8 Ru2 -","- C18 H10 F17.82 O16 Ru4 -","2","0.5","","Dikarev, Evgeny V.; Filatov, Alexander S.; Clerac, Rodolphe; Petrukhina, Marina A.","Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism","Inorganic Chemistry","2006","45","2","744","751","10.1021/ic051537m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179043","2020-10-21","18:00:00",""
"4300702","6.3897","0.0009","27.699","0.004","7.5773","0.0011","90","","93.234","0.004","90","","1339","0.3","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H26 Cl2 Hg2 N4 S4 -","- C20 H26 Cl2 Hg2 N4 S4 -","- C40 H52 Cl4 Hg4 N8 S8 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","179045","2020-10-21","18:00:00",""
"4300723","9.7652","0.0006","19.775","0.0013","14.1924","0.0009","90","","92.316","0.002","90","","2738.4","0.3","243","2","243","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C55 H66 B Cl N8 P Rh S3 -","- C55 H66 B Cl N8 P Rh S3 -","- C110 H132 B2 Cl2 N16 P2 Rh2 S6 -","2","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051975t","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4301102","12.5552","0.0008","18.0199","0.0012","13.8109","0.001","90","","105.359","0.001","90","","3013","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C52 H39 N21 O12 Zn7 -","- C52 H37 N21 O12 Zn7 -","- C104 H74 N42 O24 Zn14 -","2","0.5","","Kui-Zhan Shao; Ya-Hui Zhao; Xin-Long Wang; Ya-Qian Lan; De-Jun Wang; Zhong-Min Su; Rong-Shun Wang","Construction of a Three-Dimensional Polynuclear Zinc Compound Based on Unique Metallophthalocyanine-like Subunits","Inorganic Chemistry","2009","48","","10","12","10.1021/ic801439q","","","0.71073","MoKα","","0.0918","0.0485","","","0.0927","0.1131","","","","","","1.002","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301202","10.9361","0.0003","6.5821","0.0002","12.9236","0.0004","90","","93.175","0.0019","90","","928.85","0.05","150","1","150","1","","","","","","","synthesized by the authors","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H10 Cl N O3 -","- C8 H10 Cl N O3 -","- C32 H40 Cl4 N4 O12 -","4","1","","Miloslav Polášek; Miroslava Šedinová; Jan Kotek; Luce Vander Elst; Robert N. Muller; Petr Hermann; Ivan Lukeš","Pyridine-N-oxide Analogues of DOTA and Their Gadolinium(III) Complexes Endowed with a Fast Water Exchange on the Square-Antiprismatic Isomer","Inorganic Chemistry","2009","48","","455","465","10.1021/ic801596v","","","0.71073","MoKα","","0.0442","0.0327","","","0.0776","0.0842","","","","","","1.063","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4301362","14.8534","0.0006","34.1528","0.0015","21.0321","0.0009","90","","91.63","0.003","90","","10665","0.8","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C99 H115 Ga30 N19 S48 -","- C99 H115 Ga30 N19 S48 -","- C198 H230 Ga60 N38 S96 -","2","0.5","","Paz Vaqueiro; M. Lucia Romero","Zero-Dimensional Units of Ligand-Bridged Gallium-Sulfide Supertetrahedra","Inorganic Chemistry","2009","48","","810","812","10.1021/ic8020723","","","0.71073","MoKα","","0.1261","0.0431","","0.0922","0.0478","0.0478","","","","","","1.0927","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301418","9.1508","0.0015","17.709","0.002","12.006","0.002","90","","91.088","0.01","90","","1945.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","tris(μ-2-di-t-butylphosphido)-chloro-dicarbonyl triplatinum(i,i,ii) acetone solvate","","- C29 H60 Cl O3 P3 Pt3 -","- C29 H61 Cl O3 P3 Pt3 -","- C58 H122 Cl2 O6 P6 Pt6 -","2","0.5","","Claudia Cavazza; Fabrizia Fabrizi de Biani; Tiziana Funaioli; Piero Leoni; Fabio Marchetti; Lorella Marchetti; Piero Zanello","Synthesis and Electrochemical Characterization of Halide, Isocyanide, and Alkynyl Synthons Containing the Encumbered Triangular Cluster Unit Pt3(μ-PtBu2)3","Inorganic Chemistry","2009","48","","1385","1397","10.1021/ic801268v","","","0.71073","MoKα","","0.117","0.0696","","","0.1581","0.1842","","","","","","1.03","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301427","8.1404","0.0003","14.9543","0.0007","10.7338","0.0005","90","","98.092","0.002","90","","1293.66","0.1","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H22 N18 Ni2 O2 -","- C20 H18 N18 Ni2 O2 -","- C40 H36 N36 Ni4 O4 -","2","0.5","","Xiu-Teng Wang; Xiao-Hua Wang; Zhe-Ming Wang; Song Gao","Diversity of Azido Magnetic Chains Constructed with Flexible Ligand 2,2'-Dipyridylamine","Inorganic Chemistry","2009","48","","1301","1308","10.1021/ic801505a","","","0.71073","MoKα","","0.1127","0.0445","","","0.0687","0.0807","","","","","","0.891","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301920","9.71","0.0007","14.4926","0.001","9.4997","0.0007","90","","113.153","0.001","90","","1229.16","0.15","250","","250","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","decamethylferrocenium tetracyanoethenide","","- C26 H30 Fe N4 -","- C26 H30 Fe N4 -","- C52 H60 Fe2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Jordi Ribas-Ariño; Juan J. Novoa; William W. Shum; Joel S. Miller","Structure and Magnetic Interactions in the Organic-Based Ferromagnet Decamethylferrocenium Tetracyanoethenide, [FeCp*2].+[TCNE].-","Inorganic Chemistry","2009","48","","3296","3307","10.1021/ic801679m","powder diffraction","","0.699532","synchrotron","","","","","","","","","","2.125","","","","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302029","7.9516","0.0007","6.7651","0.0006","10.6719","0.001","90","","106.15","0.001","90","","551.42","0.09","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H13 Ga O8 -","- C6 H7 Ga O8 -","- C12 H14 Ga2 O16 -","2","0.5","","Zachary L. Mensinger; Lev N. Zakharov; Darren W. Johnson","Synthesis and Crystallization of Infinite Indium and Gallium Acetate 1D Chain Structures and Concomitant Ethyl Acetate Hydrolysis","Inorganic Chemistry","2009","48","","3505","3507","10.1021/ic9000945","","","0.71073","MoKα","","0.0369","0.0304","","","0.0782","0.0834","","","","","","1.106","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302155","22.6367","0.0008","30.5839","0.0011","22.9937","0.0004","90","","90.921","0.002","90","","15916.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C168 H260 N114 O160 Re13 Yb5 -","- C168 H168 N114 O160 Re13 Yb5 -","- C336 H336 N228 O320 Re26 Yb10 -","2","0.5","","Pierre Thuéry","Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions","Inorganic Chemistry","2009","48","","4497","4513","10.1021/ic900328z","","","0.71073","MoKα","","0.1084","0.0674","","","0.1971","0.2144","","","","","","1.018","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302157","6.513","0.003","5.753","0.002","9.023","0.004","90","","106.344","0.007","90","","324.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C H4 O7 P2 Pu -","- C O7 P2 Pu -","- C2 O14 P4 Pu2 -","2","0.5","","Anna-Gay D. Nelson; Travis H. Bray; Forrest A. Stanley; Thomas E. Albrecht-Schmitt","Periodic Trends in Actinide Phosphonates: Divergence and Convergence between Thorium, Uranium, Neptunium, and Plutonium Systems","Inorganic Chemistry","2009","48","","4530","4535","10.1021/ic900484w","","","0.71073","MoKα","","0.071","0.0605","","","0.1444","0.1495","","","","","","1.084","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302158","5.4763","0.0007","20.078","0.003","6.8762","0.0009","90","","98.485","0.002","90","","747.78","0.18","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H10 O16 P4 Pu U -","- C2 H4 O16 P4 Pu U -","- C4 H8 O32 P8 Pu2 U2 -","2","0.5","","Anna-Gay D. Nelson; Travis H. Bray; Forrest A. Stanley; Thomas E. Albrecht-Schmitt","Periodic Trends in Actinide Phosphonates: Divergence and Convergence between Thorium, Uranium, Neptunium, and Plutonium Systems","Inorganic Chemistry","2009","48","","4530","4535","10.1021/ic900484w","","","0.71073","MoKα","","0.0458","0.0401","","","0.1025","0.1047","","","","","","1.035","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302159","5.5558","0.0004","20.5994","0.0015","6.9482","0.0005","90","","99.114","0.001","90","","785.16","0.1","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H4 O16 P4 Th U -","- C2 H4 O16 P4 Th U -","- C4 H8 O32 P8 Th2 U2 -","2","0.5","","Anna-Gay D. Nelson; Travis H. Bray; Forrest A. Stanley; Thomas E. Albrecht-Schmitt","Periodic Trends in Actinide Phosphonates: Divergence and Convergence between Thorium, Uranium, Neptunium, and Plutonium Systems","Inorganic Chemistry","2009","48","","4530","4535","10.1021/ic900484w","","","0.71073","MoKα","","0.026","0.0253","","","0.0656","0.0661","","","","","","1.223","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4303089","12.3865","0.0011","16.6448","0.0014","16.2852","0.0014","90","","99.246","0.001","90","","3313.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","mer-Mo(CO)3(CNArMes2)3","","","- C78 H75 Mo N3 O3 -","- C78 H75 Mo N3 O3 -","- C156 H150 Mo2 N6 O6 -","2","0.5","","Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides","Inorganic Chemistry","2009","48","","8362","8375","10.1021/ic9010828","","","0.71073","MoKα","","0.0917","0.0516","","","0.0943","0.1093","","","","","","1.013","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303139","4.8884","0.001","7.8676","0.0014","8.0252","0.0015","90","","106.524","0.002","90","","295.9","0.1","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H5 Mn N O6 S -","- C2 H5 Mn N O6 S -","- C4 H10 Mn2 N2 O12 S2 -","2","0.5","","Zhehui Weng; Zilu Chen; Fupei Liang","Glycine-Templated Manganese Sulfate with New Topology and Canted Antiferromagnetism","Inorganic Chemistry","2009","48","","8703","8708","10.1021/ic9006444","","","0.71073","MoKα","","0.0832","0.082","","","0.1838","0.1843","","","","","","1.173","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303588","10.2515","0.0005","41.947","0.002","11.6474","0.0006","90","","104.721","0.001","90","","4844.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C40 H37.41 B3 Cu2 F13 N16 O0.71 -","- C40 H36 B3 Cu2 F13 N16 O0.71 -","- C160 H144 B12 Cu8 F52 N64 O2.84 -","4","1","","Daniel L. Reger; Elizabeth A. Foley; Russell P. Watson; Perry J. Pellechia; Mark D. Smith; Fernande Grandjean; Gary J. Long","Monofluoride Bridged, Binuclear Metallacycles of First Row Transition Metals Supported by Third Generation Bis(1-pyrazolyl)methane Ligands: Unusual Magnetic Properties","Inorganic Chemistry","2009","48","","10658","10669","10.1021/ic901352p","","","0.71073","MoKα","","0.1004","0.0684","","","0.154","0.1653","","","","","","1.08","","","","has coordinates,has disorder","179073","2020-10-21","18:00:00",""
"4303591","10.1714","0.0003","42.3175","0.0014","11.8649","0.0004","90","","103.044","0.001","90","","4975.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H40.5 B3 Cu2 F13 N17.5 -","- C43 H40.5 B3 Cu2 F13 N17.5 -","- C172 H162 B12 Cu8 F52 N70 -","4","1","","Daniel L. Reger; Elizabeth A. Foley; Russell P. Watson; Perry J. Pellechia; Mark D. Smith; Fernande Grandjean; Gary J. Long","Monofluoride Bridged, Binuclear Metallacycles of First Row Transition Metals Supported by Third Generation Bis(1-pyrazolyl)methane Ligands: Unusual Magnetic Properties","Inorganic Chemistry","2009","48","","10658","10669","10.1021/ic901352p","","","0.71073","MoKα","","0.0596","0.0428","","","0.0981","0.1043","","","","","","0.98","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4303593","10.4946","0.0005","42.288","0.002","11.347","0.0006","90","","102.969","0.001","90","","4907.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C40 H40 B3 Cu2 F13 N16 O2 -","- C40 H40 B3 Cu2 F13 N16 O2 -","- C160 H160 B12 Cu8 F52 N64 O8 -","4","1","","Daniel L. Reger; Elizabeth A. Foley; Russell P. Watson; Perry J. Pellechia; Mark D. Smith; Fernande Grandjean; Gary J. Long","Monofluoride Bridged, Binuclear Metallacycles of First Row Transition Metals Supported by Third Generation Bis(1-pyrazolyl)methane Ligands: Unusual Magnetic Properties","Inorganic Chemistry","2009","48","","10658","10669","10.1021/ic901352p","","","0.71073","MoKα","","0.0673","0.0556","","","0.126","0.1309","","","","","","1.129","","","","has coordinates,has disorder","179073","2020-10-21","18:00:00",""
"4303613","7.6945","0.0014","14.543","0.003","7.9749","0.0014","90","","110.918","0.003","90","","833.6","0.3","298","","298","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H3 Cr Mn N8 O2 -","- C18 H6 Cr2 Mn2 N16 O4 -","2","0.5","","Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo","Consecutive Irreversible Single-Crystal to Single-Crystal and Reversible Single-Crystal to Glass Transformations and Associated Magnetism of the Coordination Polymer, [MnII(rac-pnH)(H2O)CrIII(CN)6].H2O","Inorganic Chemistry","2009","48","","10726","10736","10.1021/ic901615e","","","0.71073","MoKα","","0.0476","0.0364","","","0.0949","0.1008","","","","","","0.975","","","","has coordinates,has disorder","179074","2020-10-21","18:00:00",""
"4303723","10.5831","0.0006","10.9003","0.0008","11.1279","0.0009","90","","115.451","0.004","90","","1159.12","0.15","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 Al Cl2 N2 O2 -","- C19 H19 Al Cl2 N2 O2 -","- C38 H38 Al2 Cl4 N4 O4 -","2","0.5","","Zbigniew Florjańczyk; Wojciech Bury; Ewa Zygadło-Monikowska; Iwona Justyniak; Robert Balawender; Janusz Lewiński","Structure Investigations of Dichloroaluminum Benzoates: An Unprecedented Example of a Monomeric Aluminum Complex with a Chelating Carboxylate Ligand","Inorganic Chemistry","2009","48","","10892","10894","10.1021/ic9016307","","","0.71073","MoKα","","0.047","0.0404","","","0.0861","0.0886","","","","","","1.093","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4304076","10.3917","0.0008","4.4557","0.0003","13.2793","0.001","90","","108.01","0.001","90","","584.74","0.07","295","2","295","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","samarium manganese bismuthide (2/3/6)","disamarium trimanganese hexabismuthide","","- Bi6 Mn3 Sm2 -","- Bi6 Mn3 Sm2 -","- Bi12 Mn6 Sm4 -","2","0.5","","Oksana Ya. Zelinska; Arthur Mar","Ternary Rare-Earth Manganese Bismuthides: Structures and Physical Properties of RE3MnBi5 (RE = La-Nd) and Sm2Mn3Bi6","Inorganic Chemistry","2008","47","","297","305","10.1021/ic701428p","","","0.71073","MoKα","","0.0519","0.0374","","","0.0747","0.0812","","","","","","1.051","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304433","10.637","0.002","11.1555","0.0019","14.006","0.002","90","","111.86","0.013","90","","1542.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tetrabutyammonium tris(μ~2~-chloro)-bis(trichloro-platinum(iv))","","- C16 H36 Cl9 N Pt2 -","- C16 H36 Cl9 N Pt2 -","- C32 H72 Cl18 N2 Pt4 -","2","0.5","","Daniela Belli Dell'Amico; Fausto Calderazzo; Fabio Marchetti; Stefano Ramello; Simona Samaritani","Simple Preparations of Pd6Cl12, Pt6Cl12, and Qn[Pt2Cl8+n], n= 1, 2 (Q = TBA+, PPN+) and Structural Characterization of [TBA][Pt2Cl9] and [PPN]2[Pt2Cl10].C7H8","Inorganic Chemistry","2008","47","","1237","1242","10.1021/ic701932u","","","0.71073","MoKα","","0.1217","0.0654","","","0.1567","0.1881","","","","","","1.023","","","","has coordinates,has disorder","179082","2020-10-21","18:00:00",""
"4305034","7.1054","0.0003","24.9477","0.001","18.2419","0.0009","90","","99.522","0.002","90","","3189.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H42 Ce2 Cu7 I6 N7 O21 -","- C42 H28 Ce2 Cu7 I6 N7 O21 -","- C84 H56 Ce4 Cu14 I12 N14 O42 -","2","0.5","","Jian-Wen Cheng; Shou-Tian Zheng; Guo-Yu Yang","Incorporating Distinct Metal Clusters To Construct Diversity of 3D Pillared-Layer Lanthanide-Transition-Metal Frameworks","Inorganic Chemistry","2008","47","","4930","4935","10.1021/ic800221j","","","0.71073","MoKα","","0.0409","0.0336","","","0.0858","0.0949","","","","","","1.149","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305035","7.0807","0.0005","24.8237","0.0018","18.1874","0.0012","90","","99.022","0.003","90","","3157.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H42 Cu7 I6 N7 O21 Sm2 -","- C42 H28 Cu7 I6 N7 O21 Sm2 -","- C84 H56 Cu14 I12 N14 O42 Sm4 -","2","0.5","","Jian-Wen Cheng; Shou-Tian Zheng; Guo-Yu Yang","Incorporating Distinct Metal Clusters To Construct Diversity of 3D Pillared-Layer Lanthanide-Transition-Metal Frameworks","Inorganic Chemistry","2008","47","","4930","4935","10.1021/ic800221j","","","0.71073","MoKα","","0.0521","0.0433","","","0.0929","0.0976","","","","","","1.117","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305151","8.158","0.002","12.416","0.003","13.622","0.003","90","","102.99","0.02","90","","1344.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H36 Cu2 N6 O10 -","- C21 H36 Cu2 N6 O10 -","- C42 H72 Cu4 N12 O20 -","2","0.5","","Kazi Sabnam Banu; Tanmay Chattopadhyay; Arpita Banerjee; Santanu Bhattacharya; Eringathodi Suresh; Munirathinam Nethaji; Ennio Zangrando; Debasis Das","Catechol Oxidase Activity of a Series of New Dinuclear Copper(II) Complexes with 3,5-DTBC and TCC as Substrates: Syntheses, X-ray Crystal Structures, Spectroscopic Characterization of the Adducts and Kinetic Studies","Inorganic Chemistry","2008","47","","7083","7093","10.1021/ic701332w","","","0.71073","MoKα","","0.0538","0.0452","","","0.1406","0.1455","","","","","","1.119","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305262","15.1832","0.0007","24.7499","0.0011","15.3308","0.0007","90","","111.338","0.001","90","","5366.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C52 H54 Co2 N10 O71 P2 W18 -","- C52 H44 Co2 N10 O71 P2 W18 -","- C104 H88 Co4 N20 O142 P4 W36 -","2","0.5","","Xinyu Zhao; Dadong Liang; Shuxia Liu; Chunyan Sun; Ruige Cao; Chaoying Gao; Yuanhang Ren; Zhongmin Su","Two Dawson-Templated Three-Dimensional Metal-Organic Frameworks Based on Oxalate-Bridged Binuclear Cobalt(II)/Nickel(II) SBUs and Bpy Linkers","Inorganic Chemistry","2008","47","","7133","7138","10.1021/ic800131r","","","0.71073","MoKα","","0.0731","0.042","","","0.1027","0.1126","","","","","","1.013","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305263","15.0721","0.0009","24.7694","0.0014","15.1707","0.0009","90","","110.541","0.001","90","","5303.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C52 H52 N10 Ni2 O70 P2 W18 -","- C52 H42 N10 Ni2 O71 P2 W18 -","- C104 H84 N20 Ni4 O142 P4 W36 -","2","0.5","","Xinyu Zhao; Dadong Liang; Shuxia Liu; Chunyan Sun; Ruige Cao; Chaoying Gao; Yuanhang Ren; Zhongmin Su","Two Dawson-Templated Three-Dimensional Metal-Organic Frameworks Based on Oxalate-Bridged Binuclear Cobalt(II)/Nickel(II) SBUs and Bpy Linkers","Inorganic Chemistry","2008","47","","7133","7138","10.1021/ic800131r","","","0.71073","MoKα","","0.0827","0.0453","","","0.1036","0.114","","","","","","1.005","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305478","12.1403","0.001","12.918","0.001","12.3376","0.0009","90","","91.262","0.004","90","","1934.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H41 Br Cl2 N P2 Rh -","- C46 H41 Br Cl2 N P2 Rh -","- C92 H82 Br2 Cl4 N2 P4 Rh2 -","2","0.5","","Laurence Carlton; Lebohang V. Mokoena; Manuel A. Fernandes","Influence of Ligand Polarizability on the Reversible Binding of O2 by trans-[Rh(X)(XNC)(PPh3)2] (X = Cl, Br, SC6F5, C2Ph; XNC = Xylyl Isocyanide). Structures and a Kinetic Study","Inorganic Chemistry","2008","47","","8696","8703","10.1021/ic800478g","","","0.71073","MoKα","","0.0785","0.0557","","","0.1579","0.1697","","","","","","1.083","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305699","8.7542","0.0006","17.8712","0.0012","9.0548","0.0006","90","","104.295","0.001","90","","1372.74","0.16","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H25 N2 O23 P3 U3 -","- C9 H10 N2 O23 P3 U3 -","- C18 H20 N4 O46 P6 U6 -","2","0.5","","Karah E. Knope; Christopher L. Cahill","Structural Variation within Homometallic Uranium(VI) Carboxyphosphonates: In Situ Ligand Synthesis, Directed Assembly, Metal-Ligand Coordination and Hydrogen Bonding","Inorganic Chemistry","2008","47","","7660","7672","10.1021/ic800683m","","","0.71073","MoKα","","0.0476","0.0281","","","0.0405","0.0433","","","","","","0.828","","","","has coordinates,has disorder","179094","2020-10-21","18:00:00",""
"4305711","9.0848","0.0005","20.4648","0.0015","9.6349","0.0006","90","","114.738","0.006","90","","1626.9","0.2","113","2","113","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H41 Cl4 Ga N2 Si -","- C29 H41 Cl4 Ga N2 Si -","- C58 H82 Cl8 Ga2 N4 Si2 -","2","0.5","","Andreas Kempter; Christian Gemel; Roland A. Fischer","Oxidative Addition of Group 13 and 14 Metal Halides and Alkyls to Ga(DDP) (DDP = Bulky Bisimidinate)","Inorganic Chemistry","2008","47","","7279","7285","10.1021/ic800690z","","","0.71073","MoKα","","0.0662","0.0451","","","0.1214","0.1377","","","","","","0.983","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4305821","9.2644","0.0007","16.1182","0.0012","16.1141","0.0012","90","","105.462","0.002","90","","2319.2","0.3","193","2","193","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C42 H51 B Cl2 F4 Fe2 O3 P3 S2 -","- C42 H51 B Cl2 F4 Fe2 O3 P3 S2 -","- C84 H102 B2 Cl4 F8 Fe4 O6 P6 S4 -","2","0.5","","Aaron K. Justice; Luca De Gioia; Mark J. Nilges; Thomas B. Rauchfuss; Scott R. Wilson; Giuseppe Zampella","Redox and Structural Properties of Mixed-Valence Models for the Active Site of the [FeFe]-Hydrogenase: Progress and Challenges","Inorganic Chemistry","2008","47","","7405","7414","10.1021/ic8007552","","","0.71073","MoKα","","0.0642","0.0505","","","0.1328","0.1414","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4305841","13.905","0.003","18.632","0.005","14.527","0.004","90","","101.739","0.006","90","","3684.9","1.6","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(bis(diisopropylphenyl)pentane-2,4-di-iminato)dioxouranium(v)dibenzoylmethanate","","- C82 H106 Co N2 O5 U -","- C81 H96 Co N2 O5 U -","- C162 H192 Co2 N4 O10 U2 -","2","0.5","","Trevor W. Hayton; Guang Wu","Mixed-Ligand Uranyl(V) β-Diketiminate/β-Diketonate Complexes: Synthesis and Characterization","Inorganic Chemistry","2008","47","","7415","7423","10.1021/ic800778j","","","0.71073","MoKα","","0.2446","0.0819","","","0.1782","0.2487","","","","","","0.861","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4306807","7.846","0.0008","21.966","0.002","8.2972","0.0009","90","","114.359","0.002","90","","1302.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H29 N2 O6 Rh S2 -","- C26 H29 N2 O6 Rh S2 -","- C52 H58 N4 O12 Rh2 S4 -","2","0.5","","Cristina Tejel; Miguel A. Ciriano; Sonia Jiménez; Vincenzo Passarelli; José A. López","Formation of a Bridging-Imido d6 Rhodium Compound by Nitrene Capture. Insertion and Cycloaddition Reactions","Inorganic Chemistry","2008","47","","10220","10222","10.1021/ic801703d","","","0.71073","MoKα","","0.0436","0.0388","","","0.0931","0.0954","","","","","","1.155","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306978","10.177","0.007","11.416","0.012","11.033","0.003","90","","110.72","0.05","90","","1198.9","1.6","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-tetrakis(N,N'-pyrimidin-2-olate)-biscopper(ii)-potassium nitrate- -hydrate-methanol solvate","","- C8.5 H9 Cu K0.5 N4.5 O4.5 -","- C8.5 H6 Cu K0.5 N4.5 O4.5 -","- C34 H24 Cu4 K2 N18 O18 -","4","1","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structural and Magnetic Properties of Layered Copper(II) Coordination Polymers Intercalating s and f Metal Ions","Inorganic Chemistry","2007","46","","2988","2997","10.1021/ic061384i","","","0.71073","MoKα","","0.0991","0.0877","","","0.2132","0.2199","","","","","","1.211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307457","9.623","0.003","14.176","0.004","13.315","0.004","90","","99.136","0.005","90","","1793.3","0.9","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H46 Cl4 N4 O0 Rh2 -","- C31 H47 Cl4 N4 Rh2 -","- C62 H94 Cl8 N8 Rh4 -","2","0.5","","Claudio Pettinari; Riccardo Pettinari; Fabio Marchetti; Alceo Macchioni; Daniele Zuccaccia; Brian W. Skelton; Allan H. White","Synthesis, Reactivity, Spectroscopic Characterization, X-ray Structures, PGSE, and NOE NMR Studies of (η5-C5Me5)-Rhodium and -Iridium Derivatives Containing Bis(pyrazolyl)alkane Ligands","Inorganic Chemistry","2007","46","","896","906","10.1021/ic061928g","","","0.71073","MoKα","","0.1449","0.108","","","0.279","0.299","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4307460","9.6379","0.0008","14.1369","0.0009","14.047","0.002","90","","110.073","0.008","90","","1797.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C31 H46 Cl4 Ir2 N4 -","- C31 H46 Cl4 Ir2 N4 -","- C62 H92 Cl8 Ir4 N8 -","2","0.5","","Claudio Pettinari; Riccardo Pettinari; Fabio Marchetti; Alceo Macchioni; Daniele Zuccaccia; Brian W. Skelton; Allan H. White","Synthesis, Reactivity, Spectroscopic Characterization, X-ray Structures, PGSE, and NOE NMR Studies of (η5-C5Me5)-Rhodium and -Iridium Derivatives Containing Bis(pyrazolyl)alkane Ligands","Inorganic Chemistry","2007","46","","896","906","10.1021/ic061928g","","","0.71073","MoKα","","0.1024","0.0843","","","0.21","0.2202","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308061","7.185","0.0002","5.7981","0.0002","18.1675","0.0006","90","","92.248","0.002","90","","756.26","0.04","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Eu2 F K5 O13 Si4 -","- Eu2 F K5 O13 Si4 -","- Eu4 F2 K10 O26 Si8 -","2","0.5","","Pei-Yun Chiang; Tsai-Wei Lin; Jian-Hung Dai; Bor-Chen Chang; Kwang-Hwa Lii","Flux Synthesis, Crystal Structure, and Luminescence Properties of a New Europium Fluoride-Silicate: K5Eu2FSi4O13","Inorganic Chemistry","2007","46","","3619","3622","10.1021/ic0700304","","","0.71073","MoKα","","0.0318","0.0256","","","0.0593","0.0662","","","","","","1.057","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308177","9.1089","0.0003","20.3097","0.0004","10.0983","0.0003","90","","116.04","0.001","90","","1678.53","0.08","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H50 I In N2 -","- C33 H50 I In N2 -","- C66 H100 I2 In2 N4 -","2","0.5","","Michael S. Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo","Oxidative Addition Reactions of Alkyl Halides with the Group 13 Carbene Analogue [In{N(Dipp)C(Me)}2CH] (Dipp = 2,6-iPr2C6H3)","Inorganic Chemistry","2007","46","","3783","3788","10.1021/ic070183r","","x-ray","0.71073","MoKα","","0.0452","0.0341","","","0.0975","0.1234","","","","","","1.139","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308371","11.4414","0.0006","24.2507","0.0014","12.2069","0.0006","90","","108.601","0.001","90","","3210","0.3","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C54 H110 N12 P6 -","- C54 H110 N12 P6 -","- C108 H220 N24 P12 -","2","0.5","","Richards, Philip I.; Steiner, Alexander","A Spirocyclic System Comprising Both Phosphazane and Phosphazene Rings","Inorganic Chemistry","2005","44","2","275","281","10.1021/ic048665f","","","0.71073","MoKα","","0.1102","0.0931","","","0.2539","0.2728","","","","","","1.061","","","","has coordinates,has disorder","210159","2020-10-21","18:00:00",""
"4308899","8.4972","0.0016","12.028","0.002","10.182","0.002","90","","95.53","0.004","90","","1035.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 B2 Cu F8 N4 O -","- C16 H16 B2 Cu F8 N4 O -","- C32 H32 B4 Cu2 F16 N8 O2 -","2","0.5","","Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence","Solution and Solid-State Variation of Cupric Phenanthroline Complexes","Inorganic Chemistry","2005","44","","4001","4007","10.1021/ic049069o","","","0.71073","MoKα","","0.0634","0.0488","","","0.14","0.1509","","","","","","1.093","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4309137","9.006","0.002","29.787","0.007","9.505","0.002","90","","115.048","0.004","90","","2310","0.9","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H27 K0.5 N6 O9.5 Pr0.5 Ru -","- C14 H12 K0.5 N6 O9.5 Pr0.5 Ru -","- C56 H48 K2 N24 O38 Pr2 Ru4 -","4","1","","Graham M. Davies; Simon J. A. Pope; Harry Adams; Stephen Faulkner; Michael D. Ward","Structural and Photophysical Properties of Coordination Networks Combining [Ru(bipy)(CN)4]2- Anions and Lanthanide(III) Cations: Rates of Photoinduced Ru-to-Lanthanide Energy Transfer and Sensitized Near-Infrared Luminescence","Inorganic Chemistry","2005","44","","4656","4665","10.1021/ic050512k","","","0.71073","MoKα","","0.0822","0.0593","","","0.1658","0.1869","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309387","11.6763","0.0008","9.576","0.0006","16.0089","0.0011","90","","109.736","0.001","90","","1684.84","0.19","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H44 O13 Re Ru2 -","- C24 H45 O13 Re Ru2 -","- C48 H90 O26 Re2 Ru4 -","2","0.5","","Gema Arribas; M. Carmen Barral; Rodrigo González-Prieto; Reyes Jiménez-Aparicio; J. Luis Priego; M. Rosario Torres; Francisco A. Urbanos","Discrete and Monodimensional Heteropolynuclear Structures Formed by Tetracarboxylatodiruthenium(II,III) and Perrhenato Fragments","Inorganic Chemistry","2005","44","","5770","5777","10.1021/ic050757x","","","0.71073","MoKα","","0.0626","0.0452","","","0.1159","0.1236","","","","","","0.964","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309626","6.7618","0.0005","22.3456","0.0015","8.5338","0.0006","90","","109.077","0.001","90","","1218.61","0.15","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","citrato molybdenum potassium","","","- C12 H21 K Mo2 O23 -","- C12 H21 K Mo2 O23 -","- C24 H42 K2 Mo4 O46 -","2","0.5","","Zhao-Hui Zhou; Yuan-Fu Deng; Ze-Xing Cao; Rong-Hua Zhang; Yuan L. Chow","Dimeric Dioxomolybdenum(VI) and Oxomolybdenum(V) Complexes with Citrate at Very Low pH and Neutral Conditions","Inorganic Chemistry","2005","44","","6912","6914","10.1021/ic048330y","","","0.71073","MoKα","","0.0883","0.078","","","0.1522","0.1581","","","","","","1.169","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309708","6.215","0.003","9.704","0.005","7.286","0.003","90","","115.153","0.006","90","","397.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H11 Cl Ga P -","- C3 H11 Cl Ga P -","- C6 H22 Cl2 Ga2 P2 -","2","0.5","","Christina Y. Tang; Anthony J. Downs; Tim M. Greene; Sarah Marchant; Simon Parsons","Decomposition of Monochlorogallane, [H2GaCl]n, and Adducts with Amine and Phosphine Bases: Formation of Cationic Gallane Derivatives","Inorganic Chemistry","2005","44","","7143","7150","10.1021/ic050986j","","","0.71073","MoKα","","0.0514","0.0464","","","0.1","0.1023","","","","","","1.178","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309730","11.3831","0.0007","17.0652","0.0014","24.2939","0.0016","90","","100.017","0.008","90","","4647.3","0.6","173","","173","1","","","","","","","see text","4","P 1 21/m 1","-P 2yb","11","","","","- C174 H256 Rh16 S19.22 -","- C174 H256 Rh16 S19.232 -","- C174 H256 Rh16 S19.232 -","1","0.25","","Andreas Lange; Marek M. Kubicki; Joachim Wachter; Manfred Zabel","Chemistry of Transition-Metal Clusters with Mixed Sb/S Ligands: Evidence for a Terminal SbS Double Bond in Cp*3Rh3Sb2S5 (Cp* = C5Me5)","Inorganic Chemistry","2005","44","","7328","7332","10.1021/ic050493e","","","0.71073","MoKα","","0.0722","0.0449","","","0.098","0.1054","","","","","","0.924","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309894","9.4731","0.001","22.807","0.002","14.223","0.002","90","","90.221","0.002","90","","3072.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C66 H78 Cl3 N5 O2 P2 Pd -","- C66 H78 Cl3 N5 O2 P2 Pd -","- C132 H156 Cl6 N10 O4 P4 Pd2 -","2","0.5","","Paul A. Duckmanton; Alexander J. Blake; Jason B. Love","Palladium and Rhodium Ureaphosphine Complexes: Exploring Structural and Catalytic Consequences of Anion Binding","Inorganic Chemistry","2005","44","","7708","7710","10.1021/ic051110f","","","0.71073","MoKα","","0.0947","0.0533","","","0.105","0.122","","","","","","1.03","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4310047","8.0178","0.0016","9.6784","0.0019","14.546","0.003","90","","101.21","0.03","90","","1107.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H23 N7 Ni S2 -","- C20 H23 N7 Ni S2 -","- C40 H46 N14 Ni2 S4 -","2","0.5","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.1298","0.0783","","","0.1932","0.2243","","","","","","0.984","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310049","8.0433","0.0009","9.5361","0.0007","14.4027","0.0015","90","","101.851","0.013","90","","1081.16","0.19","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H23 Fe N7 S2 -","- C20 H23 Fe N7 S2 -","- C40 H46 Fe2 N14 S4 -","2","0.5","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.1039","0.0982","","","0.2162","0.2194","","","","","","1.137","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310103","11.5707","0.0003","22.2153","0.0006","13.3566","0.0003","90","","113.371","0.002","90","","3151.59","0.15","153.1","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H66 N8 O40 Si V2 W10 -","- C26 N8 O40 Si V2 W10 -","- C52 N16 O80 Si2 V4 W20 -","2","0.5","","Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno","Reactivity of Bis(μ-hydroxo) Divanadium Site in γ-H2SiV2W10O404- with Hydroxo Compounds","Inorganic Chemistry","2005","44","","9068","9075","10.1021/ic051163x","","","0.7107","MoKα","","","0.039","","","","0.059","","","","","","7.842","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310176","9.434","0.005","16.963","0.005","13.99","0.005","90","0.005","104.903","0.005","90","0.005","2163.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H59 Al3 Cl4 Mg3 O10 -","- C29 H59 Al3 Cl4 Mg3 O10 -","- C58 H118 Al6 Cl8 Mg6 O20 -","2","0.5","","Łukasz John; Józef Utko; Lucjan B. Jerzykiewicz; Piotr Sobota","Structural Characterization of a Methylaluminoxane (MAO)-Magnesium Dichloride Cluster: Model of MAO Grafted onto a MgCl2 Support","Inorganic Chemistry","2005","44","","9131","9133","10.1021/ic051441s","","","0.71073","MoKα","","0.0727","0.0577","","","0.1493","0.1576","","","","","","1.046","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310229","12.4871","0.0011","20.5817","0.0016","18.6197","0.0016","90","","101.777","0.01","90","","4684.6","0.7","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/m 1","-P 2yb","11","","","","- C44 H70 Cu5 K2 N8 O66 Si W11 -","- C44 H32 Cu5 K2 N8 O52 Si W11 -","- C88 H64 Cu10 K4 N16 O104 Si2 W22 -","2","0.5","","Santiago Reinoso; Pablo Vitoria; Juan M. Gutiérrez-Zorrilla; Luis Lezama; Leire San Felices; Javier I. Beitia","Inorganic-Metalorganic Hybrids Based on Copper(II)-Monosubstituted Keggin Polyanions and Dinuclear Copper(II)-Oxalate Complexes. Synthesis, X-ray Structural Characterization, and Magnetic Properties","Inorganic Chemistry","2005","44","","9731","9742","10.1021/ic051134m","","x-ray","0.71073","MoKα","","0.2252","0.0749","","","0.1619","0.1982","","","","","","0.681","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310513","10.004","0.002","21.863","0.006","12.034","0.003","90","","96.205","0.005","90","","2616.6","1.1","294","2","294","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28.5 H25.5 Cl3 N4.5 Pd1.5 -","- C27 H13.5 Cl3 N4.5 Pd1.5 -","- C108 H54 Cl12 N18 Pd6 -","4","1","","Corey Seward; Wen-li Jia; Rui-Yao Wang; Suning Wang","Palladium(II) Complexes of Bowls, Pinwheels, Cages, and N,C,N-Pincers of Starburst Ligands 1,3,5-Tris(di-2-pyridylamino)benzene and 2,4,6-Tris(di-2-pyridylamino)-1,3,5-triazene","Inorganic Chemistry","2004","43","","978","985","10.1021/ic034934a","","","0.71073","MoKα","","0.1473","0.0583","","","0.1337","0.1566","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311175","7.3867","0.0016","13.969","0.003","12.949","0.003","90","","100.089","0.003","90","","1315.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C25 H16 Cl2 F6 N2 S2 Zn -","- C25 H16 Cl2 F6 N2 S2 Zn -","- C50 H32 Cl4 F12 N4 S4 Zn2 -","2","0.5","","Kenji Matsuda; Yoshihiro Shinkai; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and ZnCl2","Inorganic Chemistry","2004","43","","3774","3776","10.1021/ic049686c","","","0.71073","MoKα","","0.0322","0.0251","","","0.0654","0.0682","","","","","","1.028","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311181","13.3963","0.0013","19.597","0.0019","18.1723","0.0017","90","","100.416","0.002","90","","4692.1","0.8","173","2","173","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- Cs5 H59 K Na6 O92.5 Pd3 Sb2 W18 -","- Cs5 K Na3 O95.5 Pd3 Sb2 W18 -","- Cs10 K2 Na6 O191 Pd6 Sb4 W36 -","2","0.5","","Li-Hua Bi; Markus Reicke; Ulrich Kortz; Bineta Keita; Louis Nadjo; Ronald J. Clark","First Structurally Characterized Palladium(II)-Substituted Polyoxoanion: [Cs~2~Na(H~2~O)~10~Pd~3~(α-Sb^III^W~9~O~33~)~2~]^9-^","Inorganic Chemistry","2004","43","","3915","3920","10.1021/ic049736d","","","0.71073","MoKα","","0.0619","0.0576","","","0.1224","0.1243","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311217","12.302","0.006","17.698","0.008","14.257","0.007","90","","114.873","0.005","90","","2816","2","170","2","170","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","[Fe(III)OMTPP(t-BuNC)2]ClO4","bis{tert-butylisocyanide}octamethyltetraphenylporphyrinato Iron(III) perchloride","","- C63 H64 Cl3 Fe N6 O4 -","- C63 H64 Cl3 Fe N6 O4 -","- C126 H128 Cl6 Fe2 N12 O8 -","2","0.5","","Liliya A. Yatsunyk; F. Ann Walker","NMR and EPR Spectroscopic and Structural Studies of Low-Spin, (dxz,dyz)4(dxy)1 Ground State Fe(III) Bis-tert-Butylisocyanide Complexes of Dodecasubstituted Porphyrins","Inorganic Chemistry","2004","43","","4341","4352","10.1021/ic035242p","","","0.71073","MoKα","","0.1206","0.0535","","","0.0912","0.1042","","","","","","0.877","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4311454","6.3452","0.0008","9.8756","0.0015","8.477","0.0012","90","","106.703","0.008","90","","508.78","0.13","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H14 Ag Cl N2 O4 -","- C6 H14 Ag Cl N2 O4 -","- C12 H28 Ag2 Cl2 N4 O8 -","2","0.5","","Alexandra L. Pickering; De-Liang Long; Leroy Cronin","Coordination Networks through the Dimensions: From Discrete Clusters to 1D, 2D, and 3D Silver(I) Coordination Polymers with Rigid Aliphatic Amino Ligands","Inorganic Chemistry","2004","43","","4953","4961","10.1021/ic049786i","","","0.71073","MoKα","","0.0584","0.0351","","","0.0665","0.0721","","","","","","1.024","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311550","10.989","0.002","9.809","0.002","13.058","0.002","90","","91.252","0.004","90","","1407.2","0.4","153.2","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H37 Cl3 Ir2 S2 -","- C24 H39 Cl3 Ir2 S2 -","- C48 H78 Cl6 Ir4 S4 -","2","0.5","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0305","","","","0.0629","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311609","10.7776","0.0007","27.7484","0.0019","13.4463","0.0009","90","","105.67","0.002","90","","3871.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C56 H51 Cl4 Mn7 O27 Se9 -","- C53.852 H45.852 Mn7 O26 Se9 -","- C107.704 H91.704 Mn14 O52 Se18 -","2","0.5","","Nicole E. Chakov; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Mixed-Valence MnIIIMnIV Clusters [Mn7O8(O2SePh)8(O2CMe)(H2O)] and [Mn7O8(O2SePh)9(H2O)]: Single-Chain Magnets Exhibiting Quantum Tunneling of Magnetization","Inorganic Chemistry","2004","43","","5919","5930","10.1021/ic0494049","","","0.71073","MoKα","","0.1228","0.0873","","","0.2455","0.2567","","","","","","1.557","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311647","13.1174","0.001","5.3587","0.001","16.1769","0.001","90","","108.081","0.01","90","","1081","0.2","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Na8BaPb6","","","- Ba Na8 Pb6 -","- Ba Na8 Pb6 -","- Ba2 Na16 Pb12 -","2","0.5","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic Rings: Cyclopentadienyl Anion Analogues Sn56- and Pb56- in the Zintl Phases Na8BaPb6, Na8BaSn6, and Na8EuSn6","Inorganic Chemistry","2004","43","","6490","6494","10.1021/ic0491837","","","0.71073","MoKα","","0.0541","0.0475","","","0.1293","0.1336","","","","","","1.089","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311648","12.91","0.001","5.3652","0.001","15.8419","0.001","90","","108.246","0.01","90","","1042.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Na8BaSn6","","","- Ba Na8 Sn6 -","- Ba Na8 Sn6 -","- Ba2 Na16 Sn12 -","2","0.5","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic Rings: Cyclopentadienyl Anion Analogues Sn56- and Pb56- in the Zintl Phases Na8BaPb6, Na8BaSn6, and Na8EuSn6","Inorganic Chemistry","2004","43","","6490","6494","10.1021/ic0491837","","","0.71073","MoKα","","0.0552","0.0475","","","0.1333","0.1399","","","","","","1.031","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311649","12.8887","0.001","5.2142","0.001","15.7002","0.001","90","","108.078","0.01","90","","1003","0.2","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Na8EuSn6","","","- Eu Na8 Sn6 -","- Eu Na8 Sn6 -","- Eu2 Na16 Sn12 -","2","0.5","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic Rings: Cyclopentadienyl Anion Analogues Sn56- and Pb56- in the Zintl Phases Na8BaPb6, Na8BaSn6, and Na8EuSn6","Inorganic Chemistry","2004","43","","6490","6494","10.1021/ic0491837","","","0.71073","MoKα","","0.0768","0.0558","","","0.1493","0.1607","","","","","","1.066","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311681","7.6686","0.0003","16.112","0.0012","8.0662","0.0005","90","","93.129","0.004","90","","995.15","0.1","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","trans-dichloro(methylamino-N,N-bis(2-methylene-4,6-di- methylphenolato)oxotungsten(VI)","","- C19 H23 Cl2 N O3 W -","- C19 H24 Cl2 N O3 W -","- C38 H48 Cl4 N2 O6 W2 -","2","0.5","","Ari Lehtonen; Reijo Sillanpää","Tungsten(VI) Complexes with Aminobis(phenolato) [O,N,O] Donor Ligands","Inorganic Chemistry","2004","43","","6501","6506","10.1021/ic049448h","","x-ray","0.71073","MoKα","","0.0521","0.0362","","","0.0663","0.0702","","","","","","1.048","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311771","12.9775","0.0019","13.933","0.002","19.257","0.003","90","","92.492","0.002","90","","3478.7","0.9","173","2","173","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C68 H69 B2 Cl4 F8 N O P4 Pt2 -","- C68 H67 B2 Cl4 F8 N O P4 Pt2 -","- C136 H134 B4 Cl8 F16 N2 O2 P8 Pt4 -","2","0.5","","U. Anandhi; Paul R. Sharp","Acidities of Platinum(II) μ-Hydroxo Complexes Bearing Diphosphine Ligands","Inorganic Chemistry","2004","43","","6780","6785","10.1021/ic049463m","","","0.71073","MoKα","","0.0395","0.0306","","","0.1028","0.1118","","","","","","0.894","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311871","7.2455","0.0002","16.2229","0.0005","14.593","0.0003","90","","94.2371","0.0015","90","","1710.62","0.08","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H10 Co Fe I4 -","- C10 H10 Co Fe I4 -","- C40 H40 Co4 Fe4 I16 -","4","1","","Jesse M. Migliori; William M. Reiff; Atta M. Arif; Joel S. Miller","Observation of Hysteretic Bistability in [CoIIICp2]+[FeIIII4]-","Inorganic Chemistry","2004","43","","6875","6877","10.1021/ic049000g","","","0.71073","MoKα","","0.0381","0.0323","","","0.0773","0.0801","","","","","","1.122","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4312656","7.4653","0.0004","30.519","0.003","10.774","0.0007","90","","110.064","0.007","90","","2305.7","0.3","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H59 Br6 N6 O1.5 -","- C15 H28.5 Br3 N3 O0.75 -","- C60 H114 Br12 N12 O3 -","4","1","","Carmen Anda; Antoni Llobet; Arthur E. Martell; Bruno Donnadieu; Teodor Parella","Systematic Evaluation of Molecular Recognition Phenomena. 3. Selective Diphosphate Binding to Isomeric Hexaazamacrocyclic Ligands Containing Xylylic Spacers","Inorganic Chemistry","2003","42","","8545","8550","10.1021/ic034205v","","","0.71073","MoKα","","0.0556","0.045","","","0.1175","0.1223","","","","","","1.1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312881","12.53","0.002","41.536","0.006","13.816","0.002","90","","115.35","","90","","6498.1","1.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H56 Cl3 N12 O15 Pr -","- C56 H56 Cl3 N12 O15 Pr -","- C224 H224 Cl12 N48 O60 Pr4 -","4","1","","Xiao-Ping Yang; Bei-Sheng Kang; Wai-Kwok Wong; Cheng-Yong Su; Han-Qin Liu","Syntheses, Crystal Structures, and Luminescent Properties of Lanthanide Complexes with Tripodal Ligands Bearing Benzimidazole and Pyridine Groups","Inorganic Chemistry","2003","42","","169","179","10.1021/ic025799p","","","0.71073","MoKα","","0.2162","0.0965","","","0.2136","0.2613","","","","","","0.973","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312882","12.487","0.002","41.337","0.006","13.729","0.002","90","","115.36","","90","","6403.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H56 Cl3 N12 O15 Y -","- C55 H56 Cl3 N12 O15 Y -","- C220 H224 Cl12 N48 O60 Y4 -","4","1","","Xiao-Ping Yang; Bei-Sheng Kang; Wai-Kwok Wong; Cheng-Yong Su; Han-Qin Liu","Syntheses, Crystal Structures, and Luminescent Properties of Lanthanide Complexes with Tripodal Ligands Bearing Benzimidazole and Pyridine Groups","Inorganic Chemistry","2003","42","","169","179","10.1021/ic025799p","","","0.71073","MoKα","","0.3119","0.0789","","","0.1761","0.2639","","","","","","0.877","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312947","8.745","0.005","16.179","0.01","14.93","0.008","90","","93.253","0.01","90","","2109","2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H36 Cl4 Cu2 N8 O28 -","- C24 H16 Cl4 Cu2 N8 O28 -","- C48 H32 Cl8 Cu4 N16 O56 -","2","0.5","","Miao Du; Xian-He Bu; Zheng Huang; Shen-Tan Chen; Ya-Mei Guo; Carmen Diaz; Joan Ribas","From Metallacyclophanes to 1-D Coordination Polymers: Role of Anions in Self-Assembly Processes of Copper(II) and 2,5-Bis(3-pyridyl)-1,3,4-oxadiazole","Inorganic Chemistry","2003","42","","552","559","10.1021/ic025851h","","","0.71073","MoKα","","0.1104","0.0604","","","0.1302","0.1531","","","","","","0.973","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4313104","12.9178","0.0003","14.7997","0.0004","14.9895","0.0005","90","","93.071","0.001","90","","2861.57","0.14","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C52 H52 Cl3 F6 O P5 Re2 -","- C56 H50 Cl3 F6 O P5 Re2 -","- C112 H100 Cl6 F12 O2 P10 Re4 -","2","0.5","","Mani Ganesan; Keng-Yu Shih; Phillip E. Fanwick; Richard A. Walton","Complexation of the Triply-Bonded Dirhenium(II) Complex Re2Cl4(μ-dppm)2 (dppm = Ph2PCH2PPh2) by Up to Three Acetylene Molecules","Inorganic Chemistry","2003","42","","1241","1247","10.1021/ic020532b","","","0.71073","MoKα","","0.0662","0.047","","","0.1261","0.135","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313160","11.5079","0.001","24.026","0.002","13.7686","0.0012","90","","100.951","0.002","90","","3737.5","0.6","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C70 H72 Li N5 O4 P4 Pd2 -","- C83 H72 Li N5 O4 P4 Pd2 -","- C166 H144 Li2 N10 O8 P8 Pd4 -","2","0.5","","U. Anandhi; Todd Holbert; Dennis Lueng; Paul R. Sharp","Platinum and Palladium Imido and Oxo Complexes with Small Natural Bite Angle Diphosphine Ligands","Inorganic Chemistry","2003","42","","1282","1295","10.1021/ic025987f","","","0.7107","MoKα","","0.1562","0.087","","","0.1556","0.1793","","","","","","1.094","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4313168","11.4635","0.0007","24.1305","0.0014","13.6535","0.0008","90","","100.636","0.001","90","","3711.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C70 H72 Li N5 O4 P4 Pt2 -","- C83 H72 Li N5 O4 P4 Pt2 -","- C166 H144 Li2 N10 O8 P8 Pt4 -","2","0.5","","U. Anandhi; Todd Holbert; Dennis Lueng; Paul R. Sharp","Platinum and Palladium Imido and Oxo Complexes with Small Natural Bite Angle Diphosphine Ligands","Inorganic Chemistry","2003","42","","1282","1295","10.1021/ic025987f","","","0.7107","MoKα","","0.066","0.0401","","","0.0781","0.0853","","","","","","1.055","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4313419","9.881","0.004","3.329","0.001","8.775","0.003","90","","114.82","0.03","90","","261.98","0.17","293","2","293","2","","","","","","","synthesized by the authors, see text.","3","P 1 21/m 1","-P 2yb","11","","","","- Nb1.18 S5 V0.82 -","- Nb1.177 S5 V0.823 -","- Nb2.354 S10 V1.646 -","2","0.5","","Hoseop Yun; Geanha Ryu; Stephen Lee; Roald Hoffmann","A New Quasi-One-Dimensional Ternary Chalcogenide: Synthesis, Crystal Structure, and Electronic Structure of Nb1+xV1-xS5 (x= 0.18)","Inorganic Chemistry","2003","42","","2253","2260","10.1021/ic0205334","","","0.71073","MoKα","","0.0526","0.0457","","","0.114","0.1171","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313547","9.407","0.001","25.955","0.007","9.98","0.001","90","","113.41","0.01","90","","2236.1","0.7","293.2","","293.2","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C37 H28 O14 P2 Pt Ru5 -","- C34.5 H28 O12 P2 Pt0.5 Ru3.5 -","- C69 H56 O24 P4 Pt Ru7 -","2","0.5","","Richard D. Adams; Burjor Captain; Wei Fu; Perry J. Pellechia","Dynamical Intramolecular Metal-to-Metal Ligand Exchange of Phosphine and Thioether Ligands in Derivatives PtRu5(CO)16(μ6-C)","Inorganic Chemistry","2003","42","","3111","3118","10.1021/ic0207000","","","0.7107","MoKα","","0.0343","0.0343","","0.0462","","0.0462","","","1.301","","","1.301","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313549","12.3723","0.0007","20.9837","0.0011","15.8379","0.0008","90","","97.332","0.001","90","","4078.2","0.4","183","2","183","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H46 N9 O26 V9 Zn2 -","- C9 N9 O26 V9 Zn2 -","- C36 N36 O104 V36 Zn8 -","4","1","","M. Ishaque Khan; Elizabeth Yohannes; Robert J. Doedens","A Novel Series of Materials Composed of Arrays of Vanadium Oxide Container Molecules, {V18O42(X)} (X = H2O, Cl-, Br-): Synthesis and Characterization of [M2(H2N(CH2)2NH2)5][{M(H2N(CH2)2NH2)2}2V18O42(X)]. 9H2O (M = Zn, Cd)","Inorganic Chemistry","2003","42","","3125","3129","10.1021/ic025889u","","","0.71073","MoKα","","0.0704","0.0641","","","0.1921","0.197","","","","","","1.085","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313682","6.735","0.001","25.023","0.005","17.44","0.003","90","","99.43","0.03","90","","2899.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","zriconinum diphthalocyanine","Zirconium diphthalocyanine triiodide diiodine","","- C64 H32 I5 N16 Zr -","- C64 H32 I5 N16 Zr -","- C128 H64 I10 N32 Zr2 -","2","0.5","","Jan Janczak","Synthesis, Structural Investigation, and Solid-State Properties of Iodine-Doped Zirconium Diphthalocyanine, [ZrPc2]I3.I2","Inorganic Chemistry","2003","42","","3549","3558","10.1021/ic020717i","","","0.71073","MoKα","","0.1308","0.0483","","","0.0483","0.0573","","","","","","1.012","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4313762","6.145","0.001","7.268","0.001","8.865","0.002","90","","102.41","0.03","90","","386.68","0.13","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu K Pd Se5 -","- Cu K Pd Se5 -","- Cu2 K2 Pd2 Se10 -","2","0.5","","Xuean Chen; Kieran J. Dilks; Xiaoying Huang; Jing Li","APdCu(Se2)(Se3) (A = K and Rb): New Quaternary Copper Palladium Polyselenides with Unusual Metal-Selenium Coordination","Inorganic Chemistry","2003","42","","3723","3727","10.1021/ic0340130","","","0.71073","MoKα","","0.0533","0.0316","","","0.077","0.085","","","","","","1.038","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313763","6.253","0.001","7.267","0.001","8.993","0.002","90","","102.28","0.03","90","","399.3","0.13","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu Pd Rb Se5 -","- Cu Pd Rb Se5 -","- Cu2 Pd2 Rb2 Se10 -","2","0.5","","Xuean Chen; Kieran J. Dilks; Xiaoying Huang; Jing Li","APdCu(Se2)(Se3) (A = K and Rb): New Quaternary Copper Palladium Polyselenides with Unusual Metal-Selenium Coordination","Inorganic Chemistry","2003","42","","3723","3727","10.1021/ic0340130","","","0.71073","MoKα","","0.1038","0.0502","","","0.0841","0.0961","","","","","","1.188","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313787","11.4097","0.0014","8.3733","0.001","11.6107","0.0014","90","","112.201","0.002","90","","1027","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H In K2 O11 Si4 -","- H In K2 O11 Si4 -","- H4 In4 K8 O44 Si16 -","4","1","","Ling-I Hung; Sue-Lein Wang; Hsien-Ming Kao; Kwang-Hwa Lii","Hydrothermal Synthesis, Crystal Structure, and Solid-State NMR Spectroscopy of a New Indium Silicate: K2In(OH)(Si4O10)","Inorganic Chemistry","2003","42","","4057","4061","10.1021/ic020718a","","","0.71073","MoKα","","0.0549","0.0507","","","0.1273","0.1287","","","","","","1.32","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313815","10.623","0.0004","17.0754","0.0006","5.6281","0.0002","90","","108.487","0.002","90","","968.21","0.06","248","2","248","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","[cy3SnCl] at 248K","","","- C18 H33 Cl Sn -","- C18 H33 Cl Sn -","- C36 H66 Cl2 Sn2 -","2","0.5","","Ashrafomolouk Asadi; Colin Eaborn; Peter B. Hitchcock; Margaret M. Meehan; J. David Smith","The Structure of Tri(cyclohexyl)tin Chloride between 108 and 298 K: A Compound in Which Molecular Dimensions Vary with Temperature","Inorganic Chemistry","2003","42","","4141","4146","10.1021/ic026272f","","x-ray","0.71073","MoKα","","0.0772","0.0513","","","0.1232","0.1367","","","","","","1.058","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313816","10.5668","0.0004","17.1827","0.0005","5.6769","0.0002","90","","107.852","0.002","90","","981.1","0.06","273","2","273","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","[cy3SnCl] at 273K","","","- C18 H33 Cl Sn -","- C18 H33 Cl Sn -","- C36 H66 Cl2 Sn2 -","2","0.5","","Ashrafomolouk Asadi; Colin Eaborn; Peter B. Hitchcock; Margaret M. Meehan; J. David Smith","The Structure of Tri(cyclohexyl)tin Chloride between 108 and 298 K: A Compound in Which Molecular Dimensions Vary with Temperature","Inorganic Chemistry","2003","42","","4141","4146","10.1021/ic026272f","","x-ray","0.71073","MoKα","","0.0707","0.0511","","","0.1317","0.1445","","","","","","1.045","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313817","10.5453","0.0004","17.1991","0.0007","5.713","0.0002","90","","107.392","0.002","90","","988.79","0.07","298","2","298","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","[cy3SnCl] at 298K","","","- C18 H33 Cl Sn -","- C18 H33 Cl Sn -","- C36 H66 Cl2 Sn2 -","2","0.5","","Ashrafomolouk Asadi; Colin Eaborn; Peter B. Hitchcock; Margaret M. Meehan; J. David Smith","The Structure of Tri(cyclohexyl)tin Chloride between 108 and 298 K: A Compound in Which Molecular Dimensions Vary with Temperature","Inorganic Chemistry","2003","42","","4141","4146","10.1021/ic026272f","","x-ray","0.71073","MoKα","","0.0995","0.0549","","","0.1415","0.1638","","","","","","1.038","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313875","7.8071","0.0002","27.3508","0.0011","10.5008","0.0002","90","","103.874","0.011","90","","2176.82","0.15","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ag2 H2 K6 O2 S9 Sn3 -","- Ag2 K4 O2 S9 Sn3 -","- Ag8 K16 O8 S36 Sn12 -","4","1","","Yonglin An; Min Ji; Menghe Baiyin; Xin Liu; Cuiying Jia; Dehe Wang","A Solvothermal Synthesis and the Structure of K4Ag2Sn3S9.2KOH","Inorganic Chemistry","2003","42","","4248","4249","10.1021/ic034186p","","","0.71073","MoKα","","0.0426","0.0359","","","0.0854","0.0873","","","","","","1.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314063","12.743","0.003","19.827","0.004","18.791","0.004","90","","93.726","0.004","90","","4737.6","1.8","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H76 Mo23 N6 O105 P2 Zr -","- Mo23 N6 O105 P2 Zr -","- Mo46 N12 O210 P4 Zr2 -","2","0.5","","Andrew J. Gaunt; Iain May; David Collison; O. Danny Fox","A Novel Zirconium Polyoxometalate Complex That Contains Both a Coordinated Saturated Anion, [PMo12O40]3-, and a Coordinated Unsaturated Anion, [PMo11O39]7-","Inorganic Chemistry","2003","42","","5049","5051","10.1021/ic034273h","","","0.71073","MoKα","","0.0748","0.0686","","","0.1987","0.2041","","","","","","1.048","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314168","5.209","0.013","14.395","0.0017","7.0149","0.0014","90","","96.538","0.014","90","","522.6","1.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[(4-aminomethyl)pyridine]silver(I) hexaflurorophosphate","","- C6 H8 Ag F6 N2 P -","- C6 H8 Ag F6 N2 P -","- C12 H16 Ag2 F12 N4 P2 -","2","0.5","","S. Sailaja; M. V. Rajasekharan","Synthesis and Structure of Coordination Polymers of Ag(I) with Isomeric (Aminomethyl)pyridines. Formation of A Novel Circular Helicate and 2-D Networks via Ag...Ag Contacts and Coordination Shell Expansion under Anion Control","Inorganic Chemistry","2003","42","","5675","5684","10.1021/ic0342292","","","0.71073","MoKα","","0.0514","0.0474","","","0.1241","0.1263","","","","","","1.079","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314185","8.0385","0.0008","19.1301","0.0018","9.8324","0.0009","90","","90.91","0.002","90","","1511.8","0.2","150","0.2","150","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H24 Hg2 I4 N4 -","- C25 H24 Hg2 I4 N4 -","- C50 H48 Hg4 I8 N8 -","2","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; Hans-Conrad zur Loye","Formation of Dinuclear, Macrocyclic, and Chain Structures from HgI2 and a Semirigid Benzimidazole-Based Bridging Ligand: An Example of Ring-Opening Supramolecular Isomerism","Inorganic Chemistry","2003","42","","5685","5692","10.1021/ic034388l","","","0.71073","MoKα","","0.0333","0.0296","","","0.0696","0.0706","","","","","","1.003","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314370","10.0525","0.0005","17.7456","0.0008","12.3798","0.0007","90","","102.527","0.005","90","","2155.83","0.19","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Chlorozinc 6,11,16,21-tetraphenyl-22-acetoxybenziporphyrin dichloromethane-d2 disolvate","","- C50 H32 Cl5 D4 N3 O2 Zn -","- C50 H36 Cl5 N3 O2 Zn -","- C100 H72 Cl10 N6 O4 Zn2 -","2","0.5","","Marcin Stępień; Lechosław Latos-Grażyński","Core-Modified Porphyrin Incorporating a Phenolate Donor. Characterization of Pd(II), Ni(II), Zn(II), Cd(II), and Fe(III) Complexes","Inorganic Chemistry","2003","42","","6183","6193","10.1021/ic0345121","","","0.71073","MoKα","","0.0687","0.0649","","","0.1621","0.1636","","","","","","1.324","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4314738","14.474","0.0007","8.9209","0.0003","28.9705","0.0013","90","","89.974","0.002","90","","3740.7","0.3","153","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 N20 O12 Pd4 -","- C40.264 N20 O12 Pd4 -","- C80.528 N40 O24 Pd8 -","2","0.5","","Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno","Synthetic and Computational Studies on Factors Controlling Structures of Molecular Triangles and Squares and Their Equilibrium in Solutions","Inorganic Chemistry","2010","49","","2008","2015","10.1021/ic100011a","","x-ray","0.71069","MoKα","","","0.0888","","","","0.2719","","","","","","0.95","","","","has coordinates,has disorder","179227","2020-10-21","18:00:00",""
"4314746","10.0838","0.0002","28.9427","0.0006","11.7757","0.0003","90","","102.782","0.002","90","","3351.6","0.13","110","","110","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C60 H52 F14 Fe N4 O4 Sb -","- C60 H52 F14 Fe N4 O4 Sb -","- C120 H104 F28 Fe2 N8 O8 Sb2 -","2","0.5","","Jun Wang; Mark P. Schopfer; Simona C. Puiu; Amy A. N. Sarjeant; Kenneth D. Karlin","Reductive Coupling of Nitrogen Monoxide (.NO) Facilitated by Heme/Copper Complexes","Inorganic Chemistry","2010","49","","1404","1419","10.1021/ic901431r","","","0.71073","MoKα","","0.0828","0.0677","","","0.1736","0.1785","","","","","","1.164","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314851","13.8974","0.0002","21.4577","0.0003","15.9687","0.0002","90","","92.38","0.001","90","","4757.86","0.11","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H86 N8 O73 S2 W18 -","- C12.5 N7.4 O69.7 S2 W18 -","- C25 N14.8 O139.4 S4 W36 -","2","0.5","","Jun Yan; De-Liang Long; Haralampos N. Miras; Leroy Cronin","Cation Controlled Assembly and Transformation of Mono- and Bi-Sulfite Templated Dawson-Type Polyoxotungstates","Inorganic Chemistry","2010","49","","1819","1825","10.1021/ic9021646","","","0.71073","MoKα","","0.0619","0.0408","","","0.1084","0.1134","","","","","","0.987","","","","has coordinates,has disorder","179228","2020-10-21","18:00:00",""
"4314989","15.338","0.016","34.43","0.03","16.281","0.017","90","","106.436","0.014","90","","8246","14","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C121 H146 Cl2 F36 N6 O12 P6 Ru6 -","- C121 H146 Cl2 F36 N6 O12 P6 Ru6 -","- C242 H292 Cl4 F72 N12 O24 P12 Ru12 -","2","0.5","","Guo-Liang Wang; Yue-Jian Lin; Heinz Berke; Guo-Xin Jin","Two-Step Assembly of Multinuclear Metallacycles with Half-Sandwich Ir, Rh, and Ru Fragments for Counteranion Encapsulation","Inorganic Chemistry","2010","49","","2193","2201","10.1021/ic902011v","","","0.71073","MoKα","","0.1194","0.076","","","0.2024","0.2212","","","","","","0.972","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4315024","8.171","0.002","13.788","0.003","9.795","0.003","90","","101.61","0.02","90","","1080.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 N3 O5 S U -","- C20 H19 N3 O5 S U -","- C40 H38 N6 O10 S2 U2 -","2","0.5","","Koichiro Takao; Masaru Kato; Shinobu Takao; Akira Nagasawa; Gert Bernhard; Christoph Hennig; Yasuhisa Ikeda","Molecular Structure and Electrochemical Behavior of Uranyl(VI) Complex with Pentadentate Schiff Base Ligand: Prevention of Uranyl(V) Cation-Cation Interaction by Fully Chelating Equatorial Coordination Sites","Inorganic Chemistry","2010","49","","2349","2359","10.1021/ic902225f","","","0.71075","MoKα","","0.0218","0.0194","","","0.0481","0.0489","","","","","","1.085","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315026","12.589","0.004","20.331","0.006","12.818","0.004","90","","92.238","0.01","90","","3278.2","1.8","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C59 H47 Cl7 N14 O12 Ru2 -","- C59 H47 Cl7 N14 O12 Ru2 -","- C118 H94 Cl14 N28 O24 Ru4 -","2","0.5","","Debasish Saha; Shyamal Das; Chanchal Bhaumik; Supriya Dutta; Sujoy Baitalik","Monometallic and Bimetallic Ruthenium(II) Complexes Derived from 4,5-Bis(benzimidazol-2-yl)imidazole (H3Imbzim) and 2,2'-Bipyridine as Colorimetric Sensors for Anions: Synthesis, Characterization, and Binding Studies","Inorganic Chemistry","2010","49","","2334","2348","10.1021/ic9022272","","","0.71073","MoKα","","0.1074","0.0694","","","0.1628","0.1817","","","","","","1.016","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315690","6.198","0.0007","3.871","0.0005","6.8103","0.0008","90","","113.308","0.002","90","","150.06","0.03","141","1","141","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl H2 Nd O2 -","- Cl H2 Nd O2 -","- Cl2 H4 Nd2 O4 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0201","0.0196","","","0.0538","0.0539","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315691","6.162","0.008","3.783","0.005","6.734","0.008","90","","112.06","0.014","90","","145.5","0.3","141","1","141","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Eu H2 O2 -","- Cl Eu H2 O2 -","- Cl2 Eu2 H4 O4 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0413","0.0345","","","0.0817","0.0919","","","","","","1.437","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315692","6.149","0.0009","3.7516","0.0005","6.7114","0.0009","90","","111.597","0.002","90","","143.95","0.03","141","1","141","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Gd H2 O2 -","- Cl Gd H2 O2 -","- Cl2 Gd2 H4 O4 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0271","0.0261","","","0.0651","0.0654","","","","","","1.493","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315693","6.1519","0.001","3.7089","0.0006","6.6593","0.001","90","","110.278","0.002","90","","142.53","0.04","140","1","140","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl H2 O2 Tb -","- Cl H2 O2 Tb -","- Cl2 H4 O4 Tb2 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0227","0.022","","","0.0702","0.0727","","","","","","1.679","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315694","6.2011","0.0017","3.65","0.001","6.6241","0.0018","90","","108.028","0.002","90","","142.57","0.07","140","1","140","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Dy H2 O2 -","- Cl Dy H2 O2 -","- Cl2 Dy2 H4 O4 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0304","0.0294","","","0.0732","0.0733","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315695","6.2134","0.0012","3.6224","0.0007","6.616","0.0012","90","","107.051","0.002","90","","142.36","0.05","140","1","140","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl H2 Ho O2 -","- Cl H2 Ho O2 -","- Cl2 H4 Ho2 O4 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0162","0.0157","","","0.0476","0.0477","","","","","","0.436","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315696","6.239","0.003","3.6085","0.0015","6.62","0.003","90","","106.277","0.004","90","","143.07","0.11","140","1","140","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Er H2 O2 -","- Cl Er H2 O2 -","- Cl2 Er2 H4 O4 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0269","0.0242","","","0.0557","0.0562","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315697","6.2141","0.0011","3.5805","0.0006","6.5722","0.0012","90","","105.804","0.002","90","","140.7","0.04","140","1","140","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl H2 O2 Tm -","- Cl H2 O2 Tm -","- Cl2 H4 O4 Tm2 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0178","0.017","","","0.0429","0.0433","","","","","","1.284","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315698","6.173","0.003","3.5258","0.0015","6.541","0.003","90","","105.393","0.004","90","","137.26","0.11","141","1","141","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl H2 O2 Yb -","- Cl H2 O2 Yb -","- Cl2 H4 O4 Yb2 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0258","0.0246","","","0.063","0.0636","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315699","6.1839","0.0009","3.5133","0.0005","6.5514","0.0009","90","","104.916","0.002","90","","137.54","0.03","140","1","140","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl H2 Lu O2 -","- Cl H2 Lu O2 -","- Cl2 H4 Lu2 O4 -","2","0.5","","Ralph A. Zehnder; David L. Clark; Brian L. Scott; Robert J. Donohoe; Phillip D. Palmer; Wolfgang H. Runde; David E. Hobart","Investigation of the Structural Properties of an Extended Series of Lanthanide Bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd-Lu, except Pm and Sm)","Inorganic Chemistry","2010","49","","4781","4790","10.1021/ic901617c","","","0.71073","MoKα","","0.0209","0.0203","","","0.0474","0.0476","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315774","7.2492","0.0005","8.2446","0.0006","9.905","0.0007","90","","107.123","0.001","90","","565.75","0.07","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Trisodium Copper(ii) nitrate pyrophosphate, trihydrate","","- Cu H6 N Na3 O13 P2 -","- Cu H6 N Na3 O13 P2 -","- Cu2 H12 N2 Na6 O26 P4 -","2","0.5","","Rosana P. Sartoris; Ricardo C. Santana; Ricardo F. Baggio; Octavio Peña; Mireille Perec; Rafael Calvo","Pyrophosphate-Bridged CuII Chain Magnet: {[Na3Cu(P2O7)(NO3)].3H2O}n","Inorganic Chemistry","2010","49","","5650","5657","10.1021/ic100398k","","","0.71073","MoKα","","0.0184","0.0181","","","0.0487","0.0489","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315842","8.106","0.0013","9.3159","0.0015","13.322","0.002","90","","105.453","0.002","90","","969.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl5 Fe N3 P3 -","- C12 H9 Cl5 Fe N3 P3 -","- C24 H18 Cl10 Fe2 N6 P6 -","2","0.5","","Karunesh Keshav; Nem Singh; Anil J. Elias","Synthesis and Reactions of Ethynylferrocene-Derived Fluoro- and Chlorocyclotriphosphazenes","Inorganic Chemistry","2010","49","","5753","5765","10.1021/ic100703h","","","0.71073","MoKα","","0.0406","0.0395","","","0.1027","0.1037","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315961","6.8286","0.0008","23.243","0.002","7.3086","0.0008","90","","115.078","0.002","90","","1050.65","0.19","143","1","143","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H32 B10 Si2 -","- C12 H32 B10 Si2 -","- C24 H64 B20 Si4 -","2","0.5","","Marta Guron; Xiaolan Wei; Patrick J. Carroll; Larry G. Sneddon","Ruthenium-Catalyzed Metathesis Reactions of ortho- and meta-Dialkenyl-Carboranes: Efficient Ring-Closing and Acyclic Diene Polymerization Reactions","Inorganic Chemistry","2010","49","","6139","6147","10.1021/ic100801y","","","0.71069","MoKα","","0.0484","0.0372","","","0.1026","0.1102","","","","","","1.055","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4316076","6.4063","0.0007","26.028","0.003","6.4573","0.0007","90","","119.716","0.001","90","","935.12","0.18","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Rubidium uranyl borate","","","- B10 O23.7 Rb U2 -","- B10 O23.7 Rb U2 -","- B20 O47.4 Rb2 U4 -","2","0.5","","Shuao Wang; Evgeny V. Alekseev; Jared T. Stritzinger; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Crystal Chemistry of the Potassium and Rubidium Uranyl Borate Families Derived from Boric Acid Fluxes","Inorganic Chemistry","2010","49","","6690","6696","10.1021/ic100728s","","","0.71073","MoKα","","0.0466","0.0403","","","0.085","0.0864","","","","","","1.285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316095","8.4469","0.0006","7.7589","0.0005","10.5257","0.0007","90","","105.696","0.001","90","","664.12","0.08","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H7 N O14 U2 -","- C6 N O14 U2 -","- C12 N2 O28 U4 -","2","0.5","","Clare E. Rowland; Christopher L. Cahill","Hydrothermal Synthesis of Uranyl Squarates and Squarate-Oxalates: Hydrolysis Trends and in Situ Oxalate Formation","Inorganic Chemistry","2010","49","","6716","6724","10.1021/ic100887c","","","0.71073","MoKα","","0.0434","0.0382","","","0.0964","0.0991","","","","","","1.057","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316152","8.6324","0.0006","21.9646","0.0016","10.7844","0.0008","90","","108.866","0.001","90","","1934.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C43 H31 N7 O6 Re2 -","- C43 H31 N7 O6 Re2 -","- C86 H62 N14 O12 Re4 -","2","0.5","","Yi-Hsiu Tseng; Dibyendu Bhattacharya; Shih-Ming Lin; P. Thanasekaran; Jing-Yun Wu; Li-Wei Lee; M. Sathiyendiran; Mei-Lin Ho; Min-Wen Chung; Kung-Chung Hsu; Pi-Tai Chou; Kuang-Lieh Lu","Highly Emissive Cyclometalated Rhenium Metallacycles: Structure-Luminescence Relationship","Inorganic Chemistry","2010","49","","6805","6807","10.1021/ic100882u","","","0.71073","MoKα","","0.0586","0.0391","","","0.081","0.0879","","","","","","1.044","","","","has coordinates,has disorder","179241","2020-10-21","18:00:00",""
"4316353","12.744","0.005","14.785","0.005","14.632","0.005","90","0.005","95.38","0.005","90","0.005","2744.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C40 H60 B2 Mo4 S7 -","- C40 H60 B2 Mo4 S7 -","- C80 H120 B4 Mo8 S14 -","2","0.5","","Rajendra Singh Dhayal; Kiran Kumar Varma Chakrahari; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh","Chemistry of Molybdaboranes: Synthesis, Structures, and Characterization of a New Class of Open-Cage Dimolybdaheteroborane Clusters","Inorganic Chemistry","2010","49","","7741","7747","10.1021/ic100520k","","","0.71073","MoKα","","0.1123","0.0932","","","0.3123","0.3482","","","","","","1.486","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316387","8.6254","0.0012","17.945","0.003","14.093","0.002","90","","96.776","0.004","90","","2166.1","0.6","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C43 H39 Cl4 Cu F6 N O P3 -","- C43 H39 Cl4 Cu F6 N O P3 -","- C86 H78 Cl8 Cu2 F12 N2 O2 P6 -","2","0.5","","Matthew F. Cain; Russell P. Hughes; David S. Glueck; James A. Golen; Curtis E. Moore; Arnold L. Rheingold","Synthesis and Structure of Intermediates in Copper-Catalyzed Alkylation of Diphenylphosphine","Inorganic Chemistry","2010","49","","7650","7662","10.1021/ic100816u","","","0.71073","MoKα","","0.0352","0.0309","","","0.0804","0.0834","","","","","","1.032","","","","has coordinates,has disorder","179243","2020-10-21","18:00:00",""
"4316714","8.3319","0.0017","11.771","0.002","12.082","0.002","90","","92.09","0.03","90","","1184.2","0.4","168.15","","168.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H30 B Cu N8 Se -","- C20 H30 B Cu N8 Se -","- C40 H60 B2 Cu2 N16 Se2 -","2","0.5","","Martin M. Kimani; Julia L. Brumaghim; Don VanDerveer","Probing the Antioxidant Action of Selenium and Sulfur Using Cu(I)-Chalcogenone Tris(pyrazolyl)methane and -borate Complexes","Inorganic Chemistry","2010","49","","9200","9211","10.1021/ic100668b","","x-ray","0.71073","MoKα","","0.0465","0.0383","","","0.0953","0.1021","","","","","","1.059","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316717","8.2925","0.0017","11.808","0.002","11.934","0.002","90","","91.32","0.03","90","","1168.2","0.4","165.15","","165.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H30 B Cu N8 S -","- C20 H30 B Cu N8 S -","- C40 H60 B2 Cu2 N16 S2 -","2","0.5","","Martin M. Kimani; Julia L. Brumaghim; Don VanDerveer","Probing the Antioxidant Action of Selenium and Sulfur Using Cu(I)-Chalcogenone Tris(pyrazolyl)methane and -borate Complexes","Inorganic Chemistry","2010","49","","9200","9211","10.1021/ic100668b","","x-ray","0.71073","MoKα","","0.0428","0.0408","","","0.1062","0.1094","","","","","","1.112","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316829","8.4178","0.0003","14.1538","0.0006","10.3633","0.0004","90","","106.587","0.002","90","","1183.34","0.08","296","2","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C9 H16 Au2 Br4 N8 Ni O -","- C9 H16 Au2 Br4 N8 Ni O -","- C18 H32 Au4 Br8 N16 Ni2 O2 -","2","0.5","","Jeffrey S. Ovens; Andrew R. Geisheimer; Alexei A. Bokov; Zuo-Guang Ye; Daniel B. Leznoff","The Use of Polarizable [AuX2(CN)2]- (X = Br, I) Building Blocks Toward the Formation of Birefringent Coordination Polymers","Inorganic Chemistry","2010","49","","9609","9616","10.1021/ic101357y","","","0.71073","MoKα","","0.0687","0.0465","","0.123","0.0677","0.066","","","","","","1.1586","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317042","7.6536","0.0019","4.5424","0.0011","9.591","0.002","90","","107.838","0.004","90","","317.41","0.13","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Au2 In4 Yb -","- Au2 In4 Yb -","- Au4 In8 Yb2 -","2","0.5","","C. Peter Sebastian; James Salvador; Joshua B. Martin; Mercouri G. Kanatzidis","New Intermetallics YbAu2In4 and Yb2Au3In5","Inorganic Chemistry","2010","49","","10468","10474","10.1021/ic101502e","","","0.71073","MoKα","","0.0458","0.0436","","","0.1168","0.1182","","","","","","1.077","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317261","9.6599","0.0008","14.9929","0.001","10.138","0.0009","90","","106.034","0.009","90","","1411.2","0.2","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H40 Cl4 O6 Sn Ti -","- C16 H40 Cl4 O6 Sn Ti -","- C32 H80 Cl8 O12 Sn2 Ti2 -","2","0.5","","Shashank Mishra; Erwann Jeanneau; Marie-Hélène Berger; Jean-François Hochepied; Stéphane Daniele","Novel Heteroleptic Heterobimetallic Alkoxide Complexes as Facile Single-Source Precursors for Ta5+ Doped TiO2-SnO2 Nanoparticles","Inorganic Chemistry","2010","49","","11184","11189","10.1021/ic102134w","","","0.7107","MoKα","","0.0461","0.0403","","0.071","0.0656","0.071","","","","","","0.9632","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317374","7.5076","0.0009","7.6687","0.0008","9.571","0.0012","90","","93.568","0.013","90","","549.97","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba2 O11 Te2 V2 -","- Ba2 O11 Te2 V2 -","- Ba4 O22 Te4 V4 -","2","0.5","","Su-Yun Zhang; Chun-Li Hu; Chuan-Fu Sun; Jiang-Gao Mao","Syntheses and Crystal Structures of a Series of Alkaline Earth Vanadium Selenites and Tellurites","Inorganic Chemistry","2010","49","","11627","11636","10.1021/ic1020737","","","0.71073","MoKα","","0.0275","0.0259","","","0.0607","0.0618","","","","","","1.091","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4317725","10.853","0.013","25.38","0.03","15.45","0.02","90","","110.42","0.02","90","","3988","8","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C79 H63 Fe N7 O P4 -","- C79 H63 Fe N7 O P4 -","- C158 H126 Fe2 N14 O2 P8 -","2","0.5","","Stephen M. Contakes; Sodio C. N. Hsu; Thomas B. Rauchfuss; Scott R. Wilson","Preparative and Structural Studies on the Carbonyl Cyanides of Iron, Manganese, and Ruthenium: Fundamentals Relevant to the Hydrogenases","Inorganic Chemistry","2002","41","","1670","1678","10.1021/ic011030l","","","0.71073","MoKα","","0.0922","0.0511","","","0.1475","0.1766","","","","","","0.653","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317854","11.505","0.002","21.376","0.004","13.547","0.002","90","","109.274","0.014","90","","3144.9","1","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C51 H48 F9 N14 O15 S3 V2 -","- C51 H42 F9 N14 O15 S3 V2 -","- C102 H84 F18 N28 O30 S6 V4 -","2","0.5","","Shyamali Ghosh; Kausik K. Nanda; Anthony W. Addison; Raymond J. Butcher","Mononuclear and Mixed-Valence Binuclear Oxovanadium Complexes with Benzimidazole-Derived Chelating Agents","Inorganic Chemistry","2002","41","","2243","2249","10.1021/ic010945x","","","0.71073","MoKα","","0.2192","0.0942","","0.3172","0.2245","","","","1.028","1.172","1.172","","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4318096","10.558","0.003","7.3127","0.0005","11.3595","0.0013","90","","90.348","0.019","90","","877","0.3","213","2","213","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[(n-Pr)2ATI]GeOTf","","","- C14 H19 F3 Ge N2 O3 S -","- C14 H19 F3 Ge N2 O3 S -","- C28 H38 F6 Ge2 N4 O6 S2 -","2","0.5","","Ashley E. Ayers; H. V. Rasika Dias","Investigation of Silver Salt Metathesis: Preparation of Cationic Germanium(II) and Tin(II) Complexes, and Silver Adducts Containing Unsupported Silver-Germanium and Silver-Tin Bonds","Inorganic Chemistry","2002","41","","3259","3268","10.1021/ic0200747","","","0.71073","MoKα","","0.0403","0.0342","","","0.0872","0.0915","","","","","","1.206","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318097","10.5691","0.0015","7.3568","0.0017","11.5109","0.0017","90","","90.513","0.011","90","","895","0.3","208","2","208","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[(n-Pr)2ATI]SnOTf","","","- C14 H19 F3 N2 O3 S Sn -","- C14 H19 F3 N2 O3 S Sn -","- C28 H38 F6 N4 O6 S2 Sn2 -","2","0.5","","Ashley E. Ayers; H. V. Rasika Dias","Investigation of Silver Salt Metathesis: Preparation of Cationic Germanium(II) and Tin(II) Complexes, and Silver Adducts Containing Unsupported Silver-Germanium and Silver-Tin Bonds","Inorganic Chemistry","2002","41","","3259","3268","10.1021/ic0200747","","","0.71073","MoKα","","0.0355","0.0321","","","0.0806","0.0825","","","","","","1.065","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318187","4.85209","0.000022","9.54888","0.00004","3.253628","0.000015","90","","91.9713","0.0003","90","","150.658","0.0012","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C Ag2 O3 -","- C Ag2 O3 -","- C2 Ag4 O6 -","2","0.5","","P. Norby; R. Dinnebier; A. N. Fitch","Decomposition of Silver Carbonate; the Crystal Structure of Two High-Temperature Modifications of Ag2CO3","Inorganic Chemistry","2002","41","","3628","3637","10.1021/ic0111177","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates,has Fobs","179261","2020-10-21","18:00:00",""
"4318198","6.191","0.004","20.361","0.003","12.048","0.006","90","","97.36","0.02","90","","1506.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Zn(PNN)2(NCS)2","","","- C26 H32 N8 O4 S2 Zn -","- C26 H32 N8 O4 S2 Zn -","- C52 H64 N16 O8 S4 Zn2 -","2","0.5","","Mohammed Fettouhi; Bassam El Ali; Abdel Moneim El-Ghanam; Stéphane Golhen; Lahcène Ouahab; Nathalie Daro; Jean-Pascal Sutter","Temperature Dependence of the Crystal Lattice Organization of Coordination Compounds Involving Nitronyl Nitroxide Radicals: A Magnetic and Structural Investigation","Inorganic Chemistry","2002","41","","3705","3712","10.1021/ic020021p","","","0.71073","MoKα","","0.1091","0.0592","","","0.1494","0.1732","","","","","","1.051","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318318","9.542","0.002","6.2189","0.0014","10.342","0.002","90","","114.958","0.004","90","","556.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Cesium azidosulfate, cesium azidosulfite","","","- Cs2 N6 O5 S2 -","- Cs2 N6 O5 S2 -","- Cs4 N12 O10 S4 -","2","0.5","","Karl O. Christe; Jerry A. Boatz; Michael Gerken; Ralf Haiges; Stefan Schneider; Thorsten Schroer; Fook S. Tham; Ashwani Vij; Vandana Vij; Ross I. Wagner; William W. Wilson","Synthesis and Characterization of the SO~2~N~3~^-^, (SO~2~)~2~N~3~^-^ and SO~3~N~3~^-^ Anions","Inorganic Chemistry","2002","41","","4275","4285","10.1021/ic020183l","","","0.71073","MoKα","","0.0416","0.0398","","","0.1068","0.1085","","","","","","1.075","","","","has coordinates,has disorder","179263","2020-10-21","18:00:00",""
"4318689","8.4615","0.0005","10.5978","0.0006","9.0285","0.0005","90","","114.192","0.001","90","","738.51","0.07","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H6 Mn2 O6 S3 -","- C8 H6 Mn2 O6 S3 -","- C16 H12 Mn4 O12 S6 -","2","0.5","","Richard D. Adams; O.-Sung Kwon; Mark D. Smith","Reactions of Thioethers with Mn2(CO)7(μ-S2) Proceed with CO Displacement and Insertion of the Sulfur Atom into the Mn-Mn Bond","Inorganic Chemistry","2002","41","","5525","5529","10.1021/ic020408s","","","0.71073","MoKα","","0.0236","0.022","","","0.0602","0.0614","","","","","","1.083","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318925","7.4425","0.0003","9.7596","0.0004","14.0646","0.0006","90","","97.753","0.001","90","","1012.26","0.07","293","2","90","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H19 Br N3 O6 Re -","- C19 H16 Br N3 O6 Re -","- C38 H32 Br2 N6 O12 Re2 -","2","0.5","","Sangeeta Ray Banerjee; Murali K. Levadala; Neva Lazarova; Lihui Wei; John F. Valliant; Karin A. Stephenson; John W. Babich; Kevin P. Maresca; Jon Zubieta","Bifunctional Single Amino Acid Chelates for Labeling of Biomolecules with the {Tc(CO)3}+ and {Re(CO)3}+ Cores. Crystal and Molecular Structures of [ReBr(CO)3(H2NCH2C5H4N)], [Re(CO)3{(C5H4NCH2)2NH}]Br, [Re(CO)3{(C5H4NCH2)2NCH2CO2H}]Br, [Re(CO)3{X(Y)NCH2CO2CH2CH3}]Br (X = Y = 2-pyridylmethyl; X = 2-pyridylmethyl, Y = 2-(1-methylimidazolyl)methyl; X = Y = 2-(1-methylimidazolyl)methyl), [ReBr(CO)3{(C5H4NCH2)NH(CH2C4H3S)}], and [Re(CO)3{(C5H4NCH2)N(CH2C4H3S)(CH2CO2)}]","Inorganic Chemistry","2002","41","","6417","6425","10.1021/ic020476e","","","0.71073","MoKα","","0.0378","0.0319","","","0.0805","0.0856","","","","","","1.11","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4319004","10.2757","0.0008","29.351","0.003","13.91","0.01","90","","108.88","0.01","90","","3970","3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C76.5 H131 Cr2 N O8.5 Se2 -","- C76.5 H129 Cr2 N O8.5 Se2 -","- C153 H258 Cr4 N2 O17 Se4 -","2","0.5","","Tapan Kanti Paine; Thomas Weyhermüller; Karl Wieghardt; Phalguni Chaudhuri","The Methanol-Methanolate CH3OH...OCH3-Bridging Ligand: Tuning of Exchange Coupling by Hydrogen Bonds in Dimethoxo-Bridged Dichromium(III) Complexes","Inorganic Chemistry","2002","41","","6538","6540","10.1021/ic0204068","","","0.71073","MoKα","","0.1041","0.0594","","0.1915","0.1285","","","","1.052","1.122","1.122","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4319098","3.635","0.0007","17.16","0.003","6.98","0.0014","90","","90.58","0.03","90","","435.37","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H8 Cl4 Cu6 N6 -","- C10 H8 Cl4 Cu6 N6 -","- C10 H8 Cl4 Cu6 N6 -","1","0.25","","Nicole S. Persky; Jessica M. Chow; Karalee A. Poschmann; Nanette N. Lacuesta; Sarah L. Stoll; Simon G. Bott; Steven Obrey","Hydrothermal Syntheses, Structures, and Properties of [Cu3Cl2CN(pyrazine)] and Copper(I) Halide Pyrazine Polymers","Inorganic Chemistry","2001","40","","29","35","10.1021/ic000185a","","","0.71073","MoKα","","0.0656","0.0591","","0.1821","0.1659","","","","1.046","1.096","1.096","","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319190","9.343","0.001","4.3469","0.0008","12.496","0.003","90","","93.42","0.02","90","","506.6","0.16","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- I3 La3 Ru -","- I3 La3 Ru -","- I6 La6 Ru2 -","2","0.5","","Martin Köckerling; James D. Martin","Electronic Fine Tuning of the Structures of Reduced Rare-Earth Metal Halides","Inorganic Chemistry","2001","40","","389","395","10.1021/ic000986d","","","0.71073","MoKα","","","0.0227","","","0.0262","","","","","0.8541","0.8541","","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319311","8.332","0.004","7.186","0.003","10.812","0.009","90","","95.07","0.06","90","","644.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H16 F10 N2 O U2 -","- C5 H14 F10 N2 O U2 -","- C10 H28 F20 N4 O2 U4 -","2","0.5","","Philip M. Almond; Laura Deakin; Arthur Mar; Thomas E. Albrecht-Schmitt","Hydrothermal Synthesis, Structure, and Magnetic Properties of a Layered Organically Templated Uranium Aquofluoride: [C5H14N2][U2F10(H2O)]","Inorganic Chemistry","2001","40","","886","890","10.1021/ic000921a","","","0.71073","MoKα","","0.0421","0.0316","","0.0766","0.072","","","","1.073","1.118","1.118","","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319801","7.7856","0.0009","5.6264","0.0006","12.413","0.0014","90","","99.057","0.002","90","","536.97","0.1","293","0.2","293","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cl3 H O6 Pb3 Se2 -","- Cl3 O6 Pb3 Se2 -","- Cl6 O12 Pb6 Se4 -","2","0.5","","Yetta Porter; P. Shiv Halasyamani","A Low Temperature Method for the Synthesis of New Lead Selenite Chlorides: Pb3(SeO3)(SeO2OH)Cl3 and Pb3(SeO3)2Cl2","Inorganic Chemistry","2001","40","","2640","2641","10.1021/ic015524u","","","0.71073","MoKα","","0.0558","0.0521","","0.1577","0.1552","","","","1.151","1.193","1.193","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319897","9.153","0.0015","18.0851","0.0009","12.6484","0.0008","90","","105.409","0.009","90","","2018.5","0.4","293","","293","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C43 H39 B Cl2 F4 O P2 Pd -","- C43 H39 B Cl2 F4 O P2 Pd -","- C86 H78 B2 Cl4 F8 O2 P4 Pd2 -","2","0.5","","Richard J. van Haaren; Kees Goubitz; Jan Fraanje; Gino P. F. van Strijdonck; Henk Oevering; Betty Coussens; Joost N. H. Reek; Paul C. J. Kamer; Piet W. N. M. van Leeuwen","An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) Complexes: Implications for the Regioselectivity in the Allylic Alkylation","Inorganic Chemistry","2001","40","","3363","3372","10.1021/ic0009167","","","1.5418","CuKα","","0.093","0.091","","0.104","","0.103","","","1.002","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4320057","7.9298","0.0006","18.0226","0.0019","10.6911","0.0008","90","","107.549","0.008","90","","1456.8","0.2","223","2","223","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C24 H26 F12 N5 O P2 Ru -","- C24 H26 F12 N5 O P2 Ru -","- C48 H52 F24 N10 O2 P4 Ru2 -","2","0.5","","Montserrat Rodríguez; Isabel Romero; Antoni Llobet; Alain Deronzier; Margret Biner; Teodor Parella; Helen Stoeckli-Evans","Synthesis, Structure, and Redox and Catalytic Properties of a New Family of Ruthenium Complexes Containing the Tridentate bpea Ligand","Inorganic Chemistry","2001","40","","4150","4156","10.1021/ic010064q","","","0.71073","MoKα","","0.0322","0.0261","","","0.0611","0.0623","","","","","","1.001","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320066","7.3581","0.0005","9.0354","0.0009","9.6377","0.0007","90","","107.019","0.004","90","","612.69","0.09","295","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","caesium niobium(V)tetrasilicate","","- Cs0.66 H2.33 Nb O12 Si4 -","- Cs0.66 Nb O12 Si4 -","- Cs1.32 Nb2 O24 Si8 -","2","0.5","","Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield","Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates","Inorganic Chemistry","2001","40","","4368","4373","10.1021/ic0101174","powder diffraction","","1.5418","CuKα","","","","","","","","","","3.17","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320067","7.1543","0.0002","9.1228","0.0003","8.8966","0.0003","90","","101.341","0.002","90","","569.32","0.03","295","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","sodium niobium(V)tetrasilicate","","- H3.5 Na2 Nb O13.25 Si4 -","- Na2 Nb O13.25 Si4 -","- Na4 Nb2 O26.5 Si8 -","2","0.5","","Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield","Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates","Inorganic Chemistry","2001","40","","4368","4373","10.1021/ic0101174","powder diffraction","","1.5418","CuKα","","","","","","","","","","4","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320068","7.3639","0.0004","9.0086","0.0007","9.6355","0.0005","90","","107.293","0.003","90","","610.31","0.07","295","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","niobium(V)tetrasilicate monohydrate","","- H5 Nb O13 Si4 -","- Nb O13 Si4 -","- Nb2 O26 Si8 -","2","0.5","","Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield","Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates","Inorganic Chemistry","2001","40","","4368","4373","10.1021/ic0101174","powder diffraction","","1.5418","CuKα","","","","","","","","","","4.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320141","10.7398","0.0009","15.8121","0.0013","12.3259","0.001","90","","114.738","0.001","90","","1901.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H42 Ge9 K4 N6 O4 -","- C16 H28 Ge9 K4 N6 O4 -","- C32 H56 Ge18 K8 N12 O8 -","2","0.5","","Craig Downie; Jiang-Gao Mao; Arnold M. Guloy","Synthesis and Structure of [K±(2,2)diaza-[18]-crown-6][K3Ge9].2Ethylenediamine: Stabilization of the Two-Dimensional Layer 2\ιnfty[K3Ge91-]","Inorganic Chemistry","2001","40","","4721","4725","10.1021/ic001107q","","","0.71073","MoKα","","0.041","0.0318","","0.0898","0.0842","","","","1.024","1.053","1.053","","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00",""
"4320180","12.5139","0.0011","19.1754","0.0017","17.2199","0.0016","90","","95.838","0.002","90","","4110.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As2 Cs6.25 Mn2.37 O81.5 W18.63 -","- As2 Cs6.25 Mn2.38 Na O81.5 W18.62 -","- As4 Cs12.5 Mn4.76 Na2 O163 W37.24 -","2","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.1174","0.1054","","","0.238","0.2447","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320181","13.4989","0.0009","20.7463","0.0014","16.7571","0.0011","90","","109.405","0.001","90","","4426.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As2 Cu3 Na12 O101 W18 -","- As2 Cu3 Na12 O101 W18 -","- As4 Cu6 Na24 O202 W36 -","2","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0412","0.035","","","0.0884","0.0957","","","","","","1.146","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320187","13.1939","0.001","19.3214","0.0015","18.4524","0.0014","90","","99.084","0.001","90","","4645","0.6","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- As2 Cs2 Na3 O92 W18.7 Zn2.3 -","- As2 Cs2 Na3 O92 W18.7 Zn2.3 -","- As4 Cs4 Na6 O184 W37.4 Zn4.6 -","2","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0803","0.0514","","","0.1287","0.1497","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320188","13.207","0.001","19.1547","0.0014","18.4642","0.0013","90","","99.827","0.001","90","","4602.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- As2 Co2.2 Cs1.75 Na3 O91.5 W18.8 -","- As2 Co2.2 Cs1.75 Na3 O91.5 W18.8 -","- As4 Co4.4 Cs3.5 Na6 O183 W37.6 -","2","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0657","0.0543","","","0.1448","0.1561","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320445","11.584","0.002","18.202","0.003","9.6","0.002","90","","100.94","0.01","90","","1987.4","0.6","298","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H52 Cl2 F6 N4 P2 -","- C72 F7.2 N8 P2 -","- C144 F14.4 N16 P4 -","2","0.5","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0845","","","","0.1328","","","","","","1.434","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320524","11.802","0.001","28.303","0.002","18.82","0.002","90","","95.673","0.002","90","","6255.7","1","213","2","213","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C100.8 H77.6 Cl13.6 F16 N12 O16 Rh4 -","- C100.8 H64 Cl13.6 F16 N12 O16 Rh4 -","- C201.6 H128 Cl27.2 F32 N24 O32 Rh8 -","2","0.5","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Controlling the Dimensionality of Metal-Metal Bonded Rh24+ Polymers by the Length of the Linker. A Disciplined Example of Crystal Engineering","Inorganic Chemistry","2001","40","","5886","5889","10.1021/ic010537t","","","0.71073","MoKα","","0.1807","0.0948","","","0.2168","0.2571","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4320562","17.402","0.002","4.2054","0.0006","21.227","0.003","90","","109.524","0.002","90","","1464.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi14.8 K2.8 Se28 Sn4.4 -","- Bi14.8048 K2.8004 Se28 Sn4.4024 -","- Bi14.8048 K2.8004 Se28 Sn4.4024 -","1","0.25","","Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis","New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)","Inorganic Chemistry","2001","40","","6204","6211","10.1021/ic010285w","","","0.71073","MoKα","","0.0575","0.0356","","","0.0609","0.064","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320563","16.1389","0.0019","4.147","0.0005","17.009","0.002","90","","116.881","0.002","90","","1015.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi11.3 K0.7 Se20 Sn2.7 -","- Bi11.3 K0.696 Se20 Sn2.7 -","- Bi11.3 K0.696 Se20 Sn2.7 -","1","0.25","","Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis","New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)","Inorganic Chemistry","2001","40","","6204","6211","10.1021/ic010285w","","","0.71073","MoKα","","0.0461","0.032","","","0.0525","0.0539","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320564","16.038","0.002","4.154","0.0006","17.028","0.003","90","","116.517","0.002","90","","1015.1","0.3","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi5.82 Rb0.18 Se10 Sn1.18 -","- Bi5.817 Rb0.182 Se10 Sn1.183 -","- Bi11.634 Rb0.364 Se20 Sn2.366 -","2","0.5","","Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis","New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)","Inorganic Chemistry","2001","40","","6204","6211","10.1021/ic010285w","","","0.71073","MoKα","","0.0607","0.054","","","0.1416","0.1468","","","","","","1.117","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320565","16.1","0.003","4.136","0.0008","17.077","0.003","90","","116.79","0.03","90","","1015.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi11.54 Cs0.46 Se20 Sn2.46 -","- Bi11.5404 Cs0.46 Se20 Sn2.4602 -","- Bi11.5404 Cs0.46 Se20 Sn2.4602 -","1","0.25","","Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis","New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)","Inorganic Chemistry","2001","40","","6204","6211","10.1021/ic010285w","","","0.71073","MoKα","","0.0668","0.0526","","","0.1071","0.1119","","","","","","1.151","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320675","9.1113","0.0001","20.1484","0.0002","10.1963","0.0001","90","","115.313","0.001","90","","1692.1","0.03","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H50 Cl Ga N2 O Si -","- C32 H50 Cl Ga N2 O Si -","- C64 H100 Cl2 Ga2 N4 O2 Si2 -","2","0.5","","Malcolm H. Chisholm; Diana Navarro-Llobet; Judith Gallucci","Siloxide and Triflate Gallium(III) Complexes Supported by the BDI Ligand","Inorganic Chemistry","2001","40","","6506","6508","10.1021/ic010771j","","","0.71073","MoKα","","0.0373","0.0295","","0.0766","0.073","","","","1.038","1.065","1.065","","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320821","8.0132","0.0006","13.7886","0.0009","9.6481","0.0007","90","","97.1566","0.0011","90","","1057.72","0.13","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H24 Cr N6 O3 Si -","- C19 H21 Cr N6 O3 Si -","- C38 H42 Cr2 N12 O6 Si2 -","2","0.5","","Eric E. Pullen; Daniel Rabinovich; Christopher D. Incarvito; Thomas E. Concolino; Arnold L. Rheingold","Syntheses and Structures of Methyltris(pyrazolyl)silane Complexes of the Group 6 Metals","Inorganic Chemistry","2000","39","","1561","1567","10.1021/ic990945l","","","0.71073","MoKα","","0.0828","0.0638","","","0.1841","0.2041","","","","","","1.524","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320829","6.8469","0.0006","6.9521","0.0006","9.0436","0.0008","90","","107.677","0.002","90","","410.15","0.06","173","2","173","2","","","","","","","C. Konstantinos / Prof. M. Kanatzidis - MSU","4","P 1 21/m 1","-P 2yb","11","96262q","","","- Eu2 K2 P2 Se8 -","- Eu2 K2 P2 Se8 -","- Eu2 K2 P2 Se8 -","1","0.25","","Jennifer A. Aitken; Konstantinos Chondroudis; Victor G. Young,; Mercouri G. Kanatzidis","LiEuPSe4 and KEuPSe4: Novel Selenophosphates with the Tetrahedral [PSe4]3- Building Block","Inorganic Chemistry","2000","39","","1525","1533","10.1021/ic991090f","","","0.71073","MoKα","","0.0583","0.0516","","0.1242","0.12","","","","1.081","1.124","1.124","","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4321128","9.496","0.007","12.455","0.007","10.043","0.006","90","","97.23","0.04","90","","1178.4","1.3","213","2","213","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H34 N7 P3 -","- C16 H34 N7 P3 -","- C32 H68 N14 P6 -","2","0.5","","Ingo Schranz; Luke P. Grocholl; Lothar Stahl; Richard J. Staples; Alison Johnson","Syntheses and Structures of Heterobicyclic Bis(tert-butylamido)cyclodiphosph(III)azane Compounds Having Phosphorus(III) and Arsenic(III) Centers","Inorganic Chemistry","2000","39","","3037","3041","10.1021/ic991405r","","","0.71073","MoKα","","0.081","0.0499","","","0.1073","0.1216","","","","","","1.039","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321129","9.688","0.003","11.873","0.003","9.975","0.003","90","","97.8","0.03","90","","1136.8","0.6","213","2","213","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H34 As Cl N4 P2 -","- C16 H34 As Cl N4 P2 -","- C32 H68 As2 Cl2 N8 P4 -","2","0.5","","Ingo Schranz; Luke P. Grocholl; Lothar Stahl; Richard J. Staples; Alison Johnson","Syntheses and Structures of Heterobicyclic Bis(tert-butylamido)cyclodiphosph(III)azane Compounds Having Phosphorus(III) and Arsenic(III) Centers","Inorganic Chemistry","2000","39","","3037","3041","10.1021/ic991405r","","","0.71073","MoKα","","0.0404","0.0326","","0.0865","0.0813","","","","1.05","1.06","1.06","","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321218","7.1482","0.0007","14.7764","0.0015","7.3366","0.0007","90","","92.418","0.002","90","","774.24","0.13","298","2","298","2","","","","","","","synthesis","5","P 1 21/m 1","-P 2yb","11","","silver(I) cyanide dimethylthiourea complex 1/1","","- C8 H16 Ag2 N6 S2 -","- C8 H16 Ag2 N6 S2 -","- C16 H32 Ag4 N12 S4 -","2","0.5","","Fred B. Stocker; Doyle Britton; Victor G. Young","Crystal Structures of a Family of Silver Cyanide Complexes of Thiourea and Substituted Thioureas","Inorganic Chemistry","2000","39","","3479","3484","10.1021/ic990859l","","","0.71073","MoKα","","0.054","0.037","","0.076","0.069","","","","1.083","1.106","1.106","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321250","7.2032","0.001","20.7396","0.001","11.6983","0.001","90","","106.672","0.01","90","","1674.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 Au3 Cl3 P3 -","- C32 H29 Au3 Cl3 P3 -","- C64 H58 Au6 Cl6 P6 -","2","0.5","","Manuel Bardají; Antonio Laguna; Peter G. Jones; Axel K. Fischer","Synthesis and Structural Characterization of Luminescent Trinuclear Gold(I) Complexes with Dithiocarbamates","Inorganic Chemistry","2000","39","","3560","3566","10.1021/ic9914342","","","0.71073","MoKα","","0.0518","0.0381","","","0.0839","0.0885","","","","","","0.982","","","","has coordinates,has disorder","179315","2020-10-21","18:00:00",""
"4321543","9.969","0.0009","13.316","0.001","10.118","0.0008","90","0.006","90.72","0.006","90","0.006","1343.03","0.19","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H35 Co Fe N11 O4 -","- C17 H27 Co Fe N11 O4.002 -","- C34 H54 Co2 Fe2 N22 O8.004 -","2","0.5","","Paul V. Bernhardt; Brendan P. Macpherson; Manuel Martinez","Discrete Dinuclear Cyano-Bridged Complexes","Inorganic Chemistry","2000","39","","5203","5208","10.1021/ic000379q","","","0.71073","MoKα","","0.1672","0.0671","","","0.1714","0.2248","","","","","","0.993","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321693","5.205","0.002","6.166","0.002","9.873","0.004","90","","93.58","0.03","90","","316.2","0.2","213","2","213","2","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","Catena(bis(μ3-acetato,O,O,O')-di-copper(I))","","- C4 H6 Cu2 O4 -","- C4 H6 Cu2 O4 -","- C8 H12 Cu4 O8 -","2","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Syntheses and Crystal Structures of ""Unligated"" Copper(I) and Copper(II) Trifluoroacetates","Inorganic Chemistry","2000","39","","6072","6079","10.1021/ic000663h","","","0.71073","MoKα","","0.0473","0.0455","","0.1372","0.1346","","","","1.274","1.286","1.286","","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4321828","8.187","0.005","17.193","0.004","10.9","0.003","90","","109.68","0.04","90","","1444.7","1.1","295","","295","","","","","","","","?","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H40 B F4 Ir O6 -","- C27 B F4 Ir O6 -","- C54 B2 F8 Ir2 O12 -","2","0.5","","H. Amouri; J. Vaissermann; M. N. Rager; Y. Besace","Unusual Me-O Bond Cleavage in a Metalated Crown-Ether: X-ray Molecular Structure of (5-Methoxy-4,6-dimethyl-1,3-xylylene-2-one)-15 Crown-4 Complex of Pentamethylcyclopentadienyl Iridium","Inorganic Chemistry","1999","38","","1211","1215","10.1021/ic980811s","","","0.71069","MoKα","","","0.0356","","","0.0433","","","","","3.8","3.8","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321998","6.409","0.005","14.717","0.01","7.259","0.006","90","","114.73","0.04","90","","621.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H15 Co N O12 -","- C5 H15 Co N O12 -","- C10 H30 Co2 N2 O24 -","2","0.5","","Bert D. Alleyne; Hazel-Ann Hosein; Hema Jaggernauth; Lincoln A. Hall; Andrew J. P. White; David J. Williams","First Row Transition Metal Complexes of 1-Methylcyclobutenedione, a Monosubstituted Squarate Ligand","Inorganic Chemistry","1999","38","","2416","2421","10.1021/ic981011k","","","0.71073","MoKα","","0.0911","0.0638","","0.2971","0.1643","","","","1.161","1.197","1.197","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321999","6.5473","0.0007","14.671","0.002","7.2687","0.0011","90","","114.929","0.009","90","","633.15","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H15 N Ni O12 -","- C5 H15 N2 Ni O12 -","- C10 H30 N4 Ni2 O24 -","2","0.5","","Bert D. Alleyne; Hazel-Ann Hosein; Hema Jaggernauth; Lincoln A. Hall; Andrew J. P. White; David J. Williams","First Row Transition Metal Complexes of 1-Methylcyclobutenedione, a Monosubstituted Squarate Ligand","Inorganic Chemistry","1999","38","","2416","2421","10.1021/ic981011k","","","0.71073","MoKα","","0.0288","0.0262","","0.0749","0.0726","","","","1.064","1.077","1.077","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4322274","8.7714","0.0007","6.4172","0.0002","10.6524","0.001","90","","100.702","0.005","90","","589.17","0.08","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H8 Mo N2 O4 Zn -","- C12 H8 Mo N2 O4 Zn -","- C24 H16 Mo2 N4 O8 Zn2 -","2","0.5","","Pamela J. Hagrman; Jon Zubieta","Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides","Inorganic Chemistry","1999","38","","4480","4485","10.1021/ic990340p","","","0.71073","MoKα","","0.0209","0.019","","0.0485","0.0479","","","","1.092","1.124","1.124","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322288","4.521","0.003","4.331","0.003","11.913","0.007","90","","99.668","0.0011","90","","229.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Lanthanum Indium Diantimonide","","","- In0.8 La Sb2 -","- In0.812 La Sb2 -","- In1.624 La2 Sb4 -","2","0.5","","Michael J. Ferguson; Robert E. Ellenwood; Arthur Mar","A New Rare-Earth Indium Antimonide, (RE)In1-xSb2 (RE = La-Nd), Featuring In Zigzag Chains and Sb Square Nets","Inorganic Chemistry","1999","38","","4503","4509","10.1021/ic9905244","","","0.71073","MoKα","","0.0555","0.0491","","","0.1282","0.1308","","","","","","1.177","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322508","9.5478","0.0006","11.954","0.0007","10.1501","0.0006","90","","97.808","0.001","90","","1147.74","0.12","213","2","213","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H34 Cl Ga N4 P2 -","- C16 H34 Cl Ga N4 P2 -","- C32 H68 Cl2 Ga2 N8 P4 -","2","0.5","","Ingo Schranz; Daniel F. Moser; Lothar Stahl; Richard J. Staples","Ring Opening of Dilithio Bis(amido)cyclodiphosphazanes As a Route to 1,3-Diaza-2λ2-phosphaallyl Gallium Complexes","Inorganic Chemistry","1999","38","","5814","5819","10.1021/ic990553e","","","0.71073","MoKα","","0.0591","0.0364","","","0.0781","0.0871","","","","","","1.025","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322581","6.1206","0.0004","11.1242","0.0004","13.6222","0.0006","90","","93.675","0.003","90","","925.58","0.08","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Cl6 Cu2 Zr -","- C12 H12 Cl6 Cu2 Zr -","- C24 H24 Cl12 Cu4 Zr2 -","2","0.5","","Andrew M. Dattelbaum; James D. Martin","Benzene-Copper(I) Coordination in a Bimetallic Chain Complex","Inorganic Chemistry","1999","38","","6200","6205","10.1021/ic991064h","","","0.71073","MolybdenumKα","","0.045","0.044","","0.054","0.053","","","","","1.56","1.56","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322714","9.648","0.003","13.243","0.005","15.909","0.008","90","","103.24","0.04","90","","1978.6","1.4","298","2","298","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","K4Pb9","","- K4 Pb9 -","- K4 Pb9 -","- K16 Pb36 -","4","1","","Virginie Queneau; Slavi C. Sevov","Synthesis and Structure of the Zintl-Phase K4Pb9 Containing Isolated Pb94- Clusters of Two Different Geometries","Inorganic Chemistry","1998","37","","1358","1360","10.1021/ic971225m","","","0.71073","MoKα","","0.125","0.07","","0.1551","0.137","","","","1.084","1.2","1.2","","","","","has coordinates","179330","2020-10-21","18:00:00",""
"4322778","9.153","0.004","11.333","0.001","10.407","0.002","90","","113.05","0.02","90","","993.3","0.5","113","2","113","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H20 As N Se8 -","- C8 H20 As N Se8 -","- C16 H40 As2 N2 Se16 -","2","0.5","","Donna M. Smith; Michael A. Pell; James A. Ibers","Se22-, Se52-, and Se72- Ligands in [NEt4]2[As2Se6], [enH][AsSe6].2.2.2-cryptand, [NEt4][AsSe8], and [(en)2In(SeAs(Se)Se2)].en","Inorganic Chemistry","1998","37","","2340","2343","10.1021/ic971181h","","","1.54056","","","0.1118","0.0879","","0.1988","0.1915","","","","2.294","2.506","2.506","","","","","has coordinates","179330","2020-10-21","18:00:00",""
"4322906","6.17","0.002","4.332","0.001","10.424","0.003","90","","98.85","0.01","90","","275.3","0.14","113","2","113","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cu Te6 Th2 -","- Cu Te6 Th2 -","- Cu Te6 Th2 -","1","0.25","","Amy A. Narducci; James A. Ibers","Syntheses, Crystal Structures, and Physical Properties of the New Thorium Chalcogenides CuTh2Te6 and SrTh2Se5","Inorganic Chemistry","1998","37","","3798","3801","10.1021/ic971594i","","","0.71073","MoKα","","0.0329","0.0326","","0.0803","0.0803","","","","1.504","1.507","1.507","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4323609","23.77","0.007","26.6","0.01","11.334","0.004","90","","99.86","0.02","90","","7060","4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50.67 H62.08 B2 Cl2 Mo2 N14 O8.71 -","- C50.67 H56.67 B2 Cl2.01 Mo2 N14 O8.705 -","- C202.68 H226.68 B8 Cl8.04 Mo8 N56 O34.82 -","4","1","","Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Keith Paxton","Hydrogen Bonding of CHCl3 to Coordinated Nitric Oxide in a Binuclear Metallomacrocycle and the Crystal Structures of anti-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.2CHCl3.CH2Cl2, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.0.67CHCl3.2.7H2O, and syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.3(CH3)2CO","Inorganic Chemistry","1997","36","","4458","4464","10.1021/ic9706820","","","0.71069","MoKa","","0.0779","0.0692","","0.2439","0.2334","","","","1.039","1.085","1.085","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323980","11.708","0.024","15.779","0.031","12.156","0.023","90","","116.69","0.14","90","","2006","7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","",""