# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-22T01:46:17+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","","Massue, Julien; Stoerkler, Timothée; Jacquemin, Denis; Laurent, Adèle D; Ulrich, Gilles; Retailleau, Pascal","Experimental and Theoretical Comprehension of ESIPT Fluorophores Based on a 2-(2’-Hydroxyphenyl)-3,3’-Dimethylindole (HDMI) Scaffold","Chemical Science","2024","","","","","10.1039/D4SC01937G","","x-ray","0.71073","MoKα","","0.0331","0.0199","","","0.0326","0.0347","","","","","","1.0353","","","","has coordinates","291236","2024-04-16","22:23:43",""
"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 Thomas; Cajiao, Nathalia; Taylor, Laurence John; Davies, Edward Stephen; Barbour, Alistair; Morgan, Patrick; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah Lorraine","Mechanistic investigations of the Fe(II) mediated synthesis of squaraines","Chemical Science","2024","","","","","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","291757","2024-05-07","22:17:11",""
"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",""
"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"
"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","","","","- C27 H63 Cd I O9 Ti2 -","- C27 Cd I O9 Ti2 -","- C54 Cd2 I2 O18 Ti4 -","2","0.5","","Michael Veith; Sanjay Mathur; Volker Huch","Synthesis and Spectroscopic Characterization of Novel Heterotermetallic Isopropoxides: X-ray Crystal Structures of ICd{M2(OPri)9} and [{Cd(OPri)3}Ba{M2(OPri)9}]2 (M = Ti, Hf)","Inorganic Chemistry","1996","35","","7295","7303","10.1021/ic960116p","","","0.71073","MoKα","","0.0616","0.0514","","0.149","0.1392","","","","1.249","1.302","1.302","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4324024","12.755","0.007","7.103","0.003","14.877","0.011","90","","114.93","0.04","90","","1222.3","1.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H33 Cl2 N6 O6 P2 Pd -","- C12 H33 Cl2 N6 O6 P2 Pd -","- C24 H66 Cl4 N12 O12 P4 Pd2 -","2","0.5","","Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó","Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals","Inorganic Chemistry","1997","36","","4218","4226","10.1021/ic970238x","","","0.71073","MoKα","","0.1739","0.1228","","0.5063","0.3249","","","","1.106","1.036","1.036","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324032","8.615","0.003","17.568","0.002","9.95","0.002","90","","105.3","0.02","90","","1452.5","0.6","293","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H32 Cd N8 Ni O2 -","- C26 H30 Cd N8 Ni O2 -","- C52 H60 Cd2 N16 Ni2 O4 -","2","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.0519","","","0.052","","","","","1.304","1.304","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324033","8.505","0.001","17.737","0.001","10.106","0.001","90","","102.64","0.01","90","","1487.6","0.3","293","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H31 Cd N9 Ni -","- C29 H31 Cd N9 Ni -","- C58 H62 Cd2 N18 Ni2 -","2","0.5","","Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto","Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4]","Inorganic Chemistry","1996","35","","1842","1848","10.1021/ic950382n","","","0.70926","MoKα","","","0.0422","","","0.0474","","","","","1.379","1.379","","","","","has coordinates","201171","2020-10-21","18:00:00",""
"4324043","8.836","0.002","7.1825","0.0005","9.2789","0.0011","90","","99.812","0.015","90","","580.27","0.16","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 B N2 -","- C12 H15 B N2 -","- C24 H30 B2 N4 -","2","0.5","","Thomas G. Hodgkins; Douglas R. Powell","Derivatives of the Dimethylbis(2-pyridyl)borate(1-) Ion: Synthesis and Structure","Inorganic Chemistry","1996","35","","2140","2148","10.1021/ic950775m","","","0.71073","MoKα","","0.0442","0.038","","0.1126","0.1062","","","","1.093","1.132","1.132","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324079","12.5661","0.0007","20.3194","0.0012","12.8467","0.0007","90","","91.886","0.002","90","","3278.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C59 H47 Cl7 N14 O13 Os2 -","- C59 H47 Cl7 N14 O13 Os2 -","- C118 H94 Cl14 N28 O26 Os4 -","2","0.5","","Debasish Saha; Shyamal Das; Dinesh Maity; Supriya Dutta; Sujoy Baitalik","Synthesis, Structural Characterization, and Photophysical, Electrochemical, Intercomponent Energy-Transfer, and Anion-Sensing Studies of Imidazole 4,5-Bis(benzimidazole)-Bridged OsIIOsII and RuIIOsII Bipyridine Complexes","Inorganic Chemistry","2011","50","","46","61","10.1021/ic100905u","","","0.71073","MoKα","","0.0674","0.0619","","","0.2125","0.2174","","","","","","1.242","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324126","7.571","0.002","19.468","0.005","12.93","0.004","90","","100.719","0.004","90","","1872.5","0.9","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H42 Cl Cu4 N9 -","- C36 H38 Cl Cu4 N9 -","- C72 H76 Cl2 Cu8 N18 -","2","0.5","","Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Hai-Hua Wang; Lin Cui; Peng-Xiang Chen; Qi-Zhen Shi","Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid...Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence","Inorganic Chemistry","2011","50","","261","270","10.1021/ic101901w","","","0.71073","MoKα","","0.1255","0.0624","","","0.1587","0.1974","","","","","","1.027","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324534","8.9128","0.0002","19.8833","0.0005","10.4482","0.0002","90","","113.349","0.001","90","","1699.96","0.07","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H41 F9 N2 O Sn -","- C33 H41 F9 N2 O Sn -","- C66 H82 F18 N4 O2 Sn2 -","2","0.5","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; Hazel Cox; J. Robin Fulton","Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes","Inorganic Chemistry","2011","50","","1879","1888","10.1021/ic102273n","","x-ray","0.7107","MoKα","","0.035","0.0276","","","0.059","0.0615","","","","","","1.023","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324598","9.7677","0.0003","18.7855","0.0006","10.3823","0.0003","90","","112.113","0.001","90","","1764.93","0.09","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H38 Fe2 N2 O8 Sn -","- C34 H38 Fe2 N2 O8 Sn -","- C68 H76 Fe4 N4 O16 Sn2 -","2","0.5","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.033","0.03","","","0.0769","0.0837","","","","","","0.629","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324819","4.897","0.002","5.952","0.003","8.852","0.004","90","","100.975","0.005","90","","253.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C6 H12 N4 O6 -","2","0.5","","D. Scott Bohle; Zhijie Chua","N-H Activation in N-Nitropropionamide: Coordination Chemistry of a Primary Nitroamide","Inorganic Chemistry","2011","50","","3135","3140","10.1021/ic200090u","","","0.71073","MoKα","","0.0331","0.0306","","","0.0827","0.0851","","","","","","1.092","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324940","8.6859","0.0004","10.7477","0.0004","8.8425","0.0003","90","","90.707","0.004","90","","825.42","0.06","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","boron nickel gallium alloy","","","- B14 Ga3 Ni27 -","- B14 Ga3 Ni27 -","- B28 Ga6 Ni54 -","2","0.5","","Monique Tillard; Claude Belin","New Nickel Gallium Boride, B14Ga3Ni27: Synthesis and Crystal Structure","Inorganic Chemistry","2011","50","","3907","3912","10.1021/ic102212n","","","0.71073","MoKα","","0.0255","0.0225","","","0.053","0.0543","","","","","","1.132","","","","has coordinates,has Fobs","179352","2020-10-21","18:00:00",""
"4325192","6.8535","0.0014","7.2488","0.0011","14.206","0.004","90","","100.473","0.016","90","","694","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Eu2 H2 Mo3 O17 Se2 -","- Eu2 H2 Mo3 O17 Se2 -","- Eu4 H4 Mo6 O34 Se4 -","2","0.5","","Su-Yun Zhang; Jiang-Gao Mao","Syntheses, Crystal Structures, Magnetic and Luminescent Properties of two Classes of Molybdenum(VI) Rich Quaternary Lanthanide Selenites","Inorganic Chemistry","2011","50","","4934","4943","10.1021/ic200149y","","","0.71073","MoKα","","0.046","0.04","","","0.0821","0.0857","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325193","6.7806","0.0009","7.1875","0.0006","14.1304","0.0017","90","","100.318","0.007","90","","677.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Dy2 H2 Mo3 O17 Se2 -","- Dy2 H2 Mo3 O17 Se2 -","- Dy4 H4 Mo6 O34 Se4 -","2","0.5","","Su-Yun Zhang; Jiang-Gao Mao","Syntheses, Crystal Structures, Magnetic and Luminescent Properties of two Classes of Molybdenum(VI) Rich Quaternary Lanthanide Selenites","Inorganic Chemistry","2011","50","","4934","4943","10.1021/ic200149y","","","0.71073","MoKα","","0.028","0.024","","","0.0551","0.0565","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325194","6.7465","0.0014","7.1715","0.0014","14.082","0.004","90","","100.246","0.014","90","","670.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Er2 H2 Mo3 O17 Se2 -","- Er2 H2 Mo3 O17 Se2 -","- Er4 H4 Mo6 O34 Se4 -","2","0.5","","Su-Yun Zhang; Jiang-Gao Mao","Syntheses, Crystal Structures, Magnetic and Luminescent Properties of two Classes of Molybdenum(VI) Rich Quaternary Lanthanide Selenites","Inorganic Chemistry","2011","50","","4934","4943","10.1021/ic200149y","","","0.71073","MoKα","","0.0827","0.0654","","","0.1315","0.1437","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325887","5.8235","0.0003","7.4099","0.0003","7.3973","0.0004","90","","114.183","0.002","90","","291.19","0.03","298","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Co F H4 Na O6 Se -","- Co F Na O6 Se -","- Co2 F2 Na2 O12 Se2 -","2","0.5","","B. C. Melot; J. N. Chotard; G. Rousse; M. Ati; M. Reynaud; J. M. Tarascon","Synthesis, Structure, and Magnetic Properties of the NaCoXO4F.2H2O Phases Where X= S and Se","Inorganic Chemistry","2011","50","","7662","7668","10.1021/ic200700r","powder diffraction","","","CuKα","","","","","","","","","6.415","","","","","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325888","5.73991","0.00006","7.3225","0.00007","7.19288","0.00008","90","","113.512","0.001","90","","277.221","0.005","298","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Co D4 F Na O6 S -","- Co D4 F Na O6 S -","- Co2 D8 F2 Na2 O12 S2 -","2","0.5","","B. C. Melot; J. N. Chotard; G. Rousse; M. Ati; M. Reynaud; J. M. Tarascon","Synthesis, Structure, and Magnetic Properties of the NaCoXO4F.2H2O Phases Where X= S and Se","Inorganic Chemistry","2011","50","","7662","7668","10.1021/ic200700r","powder diffraction","neutron","1.5944","Neutron","","","","","","","","","3.5792","","","","","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4326174","7.2244","0.0009","12.1506","0.0014","7.9889","0.0009","90","","98.289","0.002","90","","693.95","0.14","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H18 O17 S2 Th -","- H18 O17 S2 Th -","- H36 O34 S4 Th2 -","2","0.5","","Karah E. Knope; Richard E. Wilson; S. Skanthakumar; L. Soderholm","Synthesis and Characterization of Thorium(IV) Sulfates","Inorganic Chemistry","2011","50","","8621","8629","10.1021/ic201175u","","","0.71073","MoKα","","0.0413","0.0305","","","0.059","0.062","","","","","","1.032","","","","has coordinates","189302","2020-10-21","18:00:00",""
"4326214","5.5325","0.0007","15.434","0.002","7.7007","0.001","90","","91.425","0.002","90","","657.35","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 Cu2 I N4 -","- C13 H9 Cu2 I N4 -","- C26 H18 Cu4 I2 N8 -","2","0.5","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0214","0.0201","","","0.0518","0.0526","","","","","","1.074","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326238","10.8919","0.0012","12.1067","0.0014","12.1387","0.0014","90","","91.898","0.002","90","","1599.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Al Br3 Cl6 N3 P3 -","- Al Br3 Cl6 N3 P3 -","- Al4 Br12 Cl24 N12 P12 -","4","1","","Zin-Min Tun; Amy J. Heston; Matthew J. Panzner; Doug A. Medvetz; Brian D. Wright; Deepa Savant; Venkat R. Dudipala; Debasish Banerjee; Peter L. Rinaldi; Wiley J. Youngs; Claire A. Tessier","Group 13 Lewis Acid Adducts of [PCl2N]3","Inorganic Chemistry","2011","50","","8937","8945","10.1021/ic201075z","","","0.71073","MoKα","","0.0248","0.0202","","","0.045","0.0465","","","","","","1.043","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326623","10.63","0.001","7.3041","0.0008","43.984","0.004","90","","94.29","0.001","90","","3405.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H60 Cl4 N2 Zn -","- C26 H60 Cl4 N2 Zn -","- C104 H240 Cl16 N8 Zn4 -","4","1","","Yupu Liu; Youying Di; Donghua He; Qian Zhou; Jianmin Dou","Crystal Structures, Lattice Potential Energies, and Thermochemical Properties of Crystalline Compounds (1-CnH2n+1NH3)2ZnCl4(s) (n= 8, 10, 12, and 13)","Inorganic Chemistry","2011","50","","10755","10764","10.1021/ic2012974","","","0.71073","MoKα","","0.1792","0.1495","","","0.2763","0.2895","","","","","","1.106","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4327047","9.55","0.03","6.606","0.019","9.78","0.03","90","","108.64","0.05","90","","585","3","173.1","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H6 K N4 O2 S -","- C12 H6 K N4 O2 S -","- C24 H12 K2 N8 O4 S2 -","2","0.5","","Yoshiaki Shuku; Rie Suizu; Kunio Awaga","Monovalent and Mixed-Valent Potassium Salts of [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide: A Radical Anion for Multidimensional Network Structures","Inorganic Chemistry","2011","50","","11859","11861","10.1021/ic201966t","","","0.7107","MoKα","","","0.0605","","","","0.1911","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327101","14.007","0.003","22.74","0.005","14.397","0.003","90","","91.844","0.003","90","","4583.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C51 H96 Cl12 N9 Na O8 Pt5 Sn6 -","- C51 H96 Cl12 N9 Na O8 Pt5 Sn6 -","- C102 H192 Cl24 N18 Na2 O16 Pt10 Sn12 -","2","0.5","","Alessandro Ceriotti; Matteo Daghetta; Simona El Afefey; Andrea Ienco; Giuliano Longoni; Gabriele Manca; Carlo Mealli; Stefano Zacchini; Salvatore Zarra","Electronic Stabilization of trigonal Bipyramidal Clusters: the Role of the Sn(II) Ions in [Pt5(CO)5{Cl2Sn(μ-OR)SnCl2}3]3- (R = H, Me, Et, iPr)","Inorganic Chemistry","2011","50","","12553","12561","10.1021/ic201519j","","","0.71073","MoKα","","0.0974","0.0644","","","0.1655","0.192","","","","","","1.047","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327479","19.3247","0.0002","22.8616","0.0004","19.7339","0.0003","90","","117.315","0.001","90","","7746.2","0.2","200","2","200","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C143 H118 Ag5 Cl9 I5 O13.5 P4 -","- C143 H118 Ag5 Cl9 I5 O13.5 P4 -","- C286 H236 Ag10 Cl18 I10 O27 P8 -","2","0.5","","Dana J. Eisler; Christopher W. Kirby; Richard J. Puddephatt","Tetraphosphinitoresorcinarene Complexes: Dynamic Clusters with Silver(I) and Copper(I) Halides","Inorganic Chemistry","2003","42","","7626","7634","10.1021/ic034717+","","","0.71073","MoKα","","0.1312","0.088","","","0.272","0.3103","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327921","10.5831","0.0006","10.9003","0.001","11.1279","0.0009","90","","115.451","0.004","90","","1159.12","0.16","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","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.047","0.0404","","","0.0861","0.0886","","","","","","1.093","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328389","10.871","0.002","6.7535","0.0012","11.859","0.002","90","","96.18","0.002","90","","865.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Er O15 S2 -","- C12 H15 Er O15 S2 -","- C24 H30 Er2 O30 S4 -","2","0.5","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.0371","0.0318","","","0.0719","0.0752","","","","","","1.009","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328460","6.9436","0.0015","22.508","0.005","8.4877","0.0015","90","","100.735","0.01","90","","1303.3","0.5","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","dichloro(1,5,9,13-tetraselenacyclohexadecane)indium tetrachloroindate(III)","","- C12 H24 Cl6 In2 Se4 -","- C12 H24 Cl6 In2 Se4 -","- C24 H48 Cl12 In4 Se8 -","2","0.5","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.1182","0.0652","","","0.1015","0.1202","","","","","","1.159","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328499","12.83","0.001","18.301","0.001","13.385","0.001","90","","95.182","0.006","90","","3130","0.4","100","2","100","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- C84 Cl22.33 -","- C84 Cl22.328 -","- C168 Cl44.656 -","2","0.5","","Maria A. Lanskikh; Nadezhda B. Tamm; Lev N. Sidorov; Sergey I. Troyanov","Capturing C84 Isomers as Chlorides and Pentafluoroethyl Derivatives: C84Cl22 and C84(C2F5)12","Inorganic Chemistry","2012","51","","2719","2721","10.1021/ic202210s","","","0.84344","synchrotron","","0.0642","0.0493","","","0.1276","0.1367","","","","","","1.031","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328576","7.8061","0.0007","7.1101","0.0006","11.0967","0.0009","90","","91.159","0.001","90","","615.76","0.09","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Trisodium dioxoneptunium(V) bis(selenate) dihydrate","","","- H4 Na3 Np O12 Se2 -","- H4 Na3.01 Np O12 Se2 -","- H8 Na6.02 Np2 O24 Se4 -","2","0.5","","Geng Bang Jin; S. Skanthakumar; L. Soderholm","Three New Sodium Neptunyl(V) Selenate Hydrates: Structures, Raman Spectroscopy, and Magnetism","Inorganic Chemistry","2012","51","","3220","3230","10.1021/ic202703j","","","0.71073","MoKα","","0.0287","0.0282","","","0.0696","0.0698","","","","","","1.249","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328781","13.83","0.004","23.109","0.005","17.037","0.004","90","","107.77","0.03","90","","5185","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C82 H102 Cl2 Mn5 N9 O34 Tm5 -","- C82 H100 Cl2 Mn5 N9 O34 Tm5 -","- C164 H200 Cl4 Mn10 N18 O68 Tm10 -","2","0.5","","Kirstin Hallier; Małgorzata Hołyńska; Mathieu Rouzières; Rodolphe Clérac; Stefanie Dehnen","Structure and Properties of New Mixed-Valent [MnIII2MnIV3LnIII5O5] Complexes (LnIII= TmIII, LuIII, and YbIII)","Inorganic Chemistry","2012","51","","3929","3931","10.1021/ic202443u","","","0.71073","MoKα","","0.1544","0.0743","","","0.1503","0.2032","","","","","","1.049","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328782","13.797","0.004","22.994","0.005","16.92","0.004","90","","107.62","0.03","90","","5116","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C82 H102 Cl2 Lu5 Mn5 N9 O34 -","- C82 H99 Cl2 Lu5 Mn5 N9 O34 -","- C164 H198 Cl4 Lu10 Mn10 N18 O68 -","2","0.5","","Kirstin Hallier; Małgorzata Hołyńska; Mathieu Rouzières; Rodolphe Clérac; Stefanie Dehnen","Structure and Properties of New Mixed-Valent [MnIII2MnIV3LnIII5O5] Complexes (LnIII= TmIII, LuIII, and YbIII)","Inorganic Chemistry","2012","51","","3929","3931","10.1021/ic202443u","","","0.71073","MoKα","","0.3381","0.0842","","","0.1341","0.2275","","","","","","0.731","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328839","7.6044","0.0012","18.137","0.002","8.2034","0.0012","90","","101.782","0.008","90","","1107.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H36 O Si2 Zr -","- C20 H36 O Si2 Zr -","- C40 H72 O2 Si4 Zr2 -","2","0.5","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","1.54184","CuKα","","0.0843","0.0785","","","0.2027","0.2072","","","","","","1.08","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328859","9.1691","0.0009","15.8763","0.001","11.78","0.0009","90","","106.12","0.008","90","","1647.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Magnesium Neodimium Boron Silicate","","","- B8 Mg2 Nd13 O43 Si4 -","- B8 Mg2 Nd13 O43 Si4 -","- B16 Mg4 Nd26 O86 Si8 -","2","0.5","","Shijun Wu; Philip Kegler; Shuao Wang; Astrid Holzheid; Wulf Depmeier; Thomas Malcherek; Evgeny V. Alekseev; Thomas E. Albrecht-Schmitt","Rich Coordination of Nd3+ in Mg2Nd13(BO3)8(SiO4)4(OH)3, Derived from High-Pressure/High-Temperature Conditions","Inorganic Chemistry","2012","51","","3941","3943","10.1021/ic3002493","","","0.71073","MoKα","","0.029","0.0202","","","0.0392","0.0413","","","","","","1.063","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328880","7.3863","0.0003","13.6515","0.0006","7.9701","0.0003","90","","105.323","0.002","90","","775.09","0.06","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C36 H34 N6 O2 -","2","0.5","","Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray","Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes","Inorganic Chemistry","2012","51","","4511","4520","10.1021/ic202207e","","","1.54178","CuKα","","0.0579","0.0496","","","0.1324","0.1389","","","","","","1.051","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328924","8.5473","0.0004","16.9278","0.0006","9.5909","0.0004","90","","95.467","0.004","90","","1381.37","0.1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H32 Mo N2 O5 -","- C27 H32 Mo N2 O5 -","- C54 H64 Mo2 N4 O10 -","2","0.5","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.028","0.0215","","","0.0497","0.0503","","","","","","0.924","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329029","8.6611","0.0001","10.2788","0.0002","12.5195","0.0002","90","","98.308","0.001","90","","1102.86","0.03","193","2","193","2","","","","","","","chemical synthesis","6","P 1 21/m 1","-P 2yb","11","Nickel macrocycle complex","N,N,N,N-{2,7,12-Trimethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca- 1(16),13(17),14-triene}nickel(II) Perchlorate","","- C16 H28 Cl2 N4 Ni O8 -","- C16 H28 Cl2 N4 Ni O8 -","- C32 H56 Cl4 N8 Ni2 O16 -","2","0.5","","Wanhua Ye; Douglas M. Ho; Simone Friedle; Taryn D. Palluccio; Elena V. Rybak-Akimova","Role of Fe(IV)-Oxo Intermediates in Stoichiometric and Catalytic Oxidations Mediated by Iron Pyridine-Azamacrocycles","Inorganic Chemistry","2012","51","","5006","5021","10.1021/ic202435r","","","0.71073","MoKα","","0.0505","0.0407","","","0.1144","0.1252","","","","","","1.076","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329112","6.8591","0.0007","12.1439","0.0012","9.0198","0.0009","90","","110.751","0.0014","90","","702.58","0.12","298","2","298","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba2 Cu6.64 Te6 -","- Ba2 Cu6.639 Te6 -","- Ba4 Cu13.278 Te12 -","2","0.5","","Bryan A. Kuropatwa; Abdeljalil Assoud; Holger Kleinke","Crystal Structure and Physical Properties of the New One-Dimensional Metal Ba2Cu7-xTe6","Inorganic Chemistry","2012","51","","5299","5304","10.1021/ic300239c","","","0.71073","MoKα","","0.0507","0.0473","","","0.122","0.1231","","","","","","1.571","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329434","7.7425","0.0007","5.6681","0.0005","9.1291","0.0007","90","","113.944","0.005","90","","366.16","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cesium Uranium(IV) Phosphate(Phosphite)","","","- Cs H0 O8 P2 U -","- Cs O8 P2 U -","- Cs2 O16 P4 U2 -","2","0.5","","Eric M. Villa; Connor J. Marr; Laurent J. Jouffret; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates","Inorganic Chemistry","2012","51","","6548","6558","10.1021/ic3000735","","","0.71073","MoKα","","0.02","0.0188","","","0.0446","0.045","","","","","","1.093","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329609","9.6746","0.0015","17.068","0.003","17.034","0.003","90","","99.57","0.003","90","","2773.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H40 B Cu N7 O2 -","- C24 H40.5 B Cu N7 O2 -","- C96 H162 B4 Cu4 N28 O8 -","4","1","","Mukesh Kumar; Natalie A. Dixon; Anna C. Merkle; Matthias Zeller; Nicolai Lehnert; Elizabeth T. Papish","Hydrotris(triazolyl)borate Complexes as Functional Models for Cu Nitrite Reductase: The Electronic Influence of Distal Nitrogens","Inorganic Chemistry","2012","51","","7004","7006","10.1021/ic300160c","","","0.71073","MoKα","","0.0918","0.0482","","","0.103","0.1202","","","","","","1.011","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4330033","5.0782","0.0009","11.2889","0.001","6.402","0.0011","90","","107.827","0.009","90","","349.39","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B Bi Co2 O10 P2 -","- B Bi Co2 O10 P2 -","- B2 Bi2 Co4 O20 P4 -","2","0.5","","Wei-Long Zhang; Zhang-Zhen He; Tian-Long Xia; Zhong-Zhen Luo; Hao Zhang; Chen-Sheng Lin; Wen-Dan Cheng","Syntheses and Magnetic Properties Study of Isostructural BiM2BP2O10 (M = Co, Ni) Containing a Quasi-1D Linear Chain Structure","Inorganic Chemistry","2012","51","","8842","8847","10.1021/ic300758t","","","0.71073","MoKα","","0.0206","0.0195","","","0.047","0.0473","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330034","5.0682","0.0013","11.282","0.003","6.322","0.002","90","","106.948","0.016","90","","345.79","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B Bi Ni2 O10 P2 -","- B Bi Ni2 O10 P2 -","- B2 Bi2 Ni4 O20 P4 -","2","0.5","","Wei-Long Zhang; Zhang-Zhen He; Tian-Long Xia; Zhong-Zhen Luo; Hao Zhang; Chen-Sheng Lin; Wen-Dan Cheng","Syntheses and Magnetic Properties Study of Isostructural BiM2BP2O10 (M = Co, Ni) Containing a Quasi-1D Linear Chain Structure","Inorganic Chemistry","2012","51","","8842","8847","10.1021/ic300758t","","","0.71073","MoKα","","0.0272","0.0258","","","0.0611","0.062","","","","","","1.052","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330262","7.1755","0.001","12.0865","0.0016","7.9343","0.0011","90","","97.853","0.002","90","","681.66","0.16","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H18 O17 S2 U -","- O17 S2 U -","- O34 S4 U2 -","2","0.5","","David D. Schnaars; Richard E. Wilson","Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides","Inorganic Chemistry","2012","51","","9481","9490","10.1021/ic301291w","","","0.71073","MoKα","","0.0297","0.0273","","","0.0726","0.0738","","","","","","1.067","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330289","9.7598","0.0011","7.865","0.0009","10.2154","0.0011","90","","102.555","0.002","90","","765.39","0.15","295","2","295","2","","","","","","","synthesized","6","P 1 21/m 1","-P 2yb","11","pentaaquaoxovanadium(IV) triflate","pentaaquaoxovanadium(IV) trifluoromethanesulfonate","","- C2 H10 F6 O12 S2 V -","- C2 H10 F6 O12 S2 V -","- C4 H20 F12 O24 S4 V2 -","2","0.5","","Joanna Krakowiak; Daniel Lundberg; Ingmar Persson","A Coordination Chemistry Study of Hydrated and Solvated Cationic Vanadium Ions in Oxidation States +III, +IV, and +V in Solution and Solid State","Inorganic Chemistry","2012","51","","9598","9609","10.1021/ic300202f","","x-ray","0.71073","MoKα","","0.0454","0.0392","","","0.1035","0.1062","","","","","","0.992","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330392","6.957","0.0002","7.3639","0.0002","8.8093","0.0003","90","","105.518","0.001","90","","434.85","0.02","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 Cd Cl2 O4 P -","- C3 H7 Cd Cl2 O4 P -","- C6 H14 Cd2 Cl4 O8 P2 -","2","0.5","","Alexander V. Anyushin; Dmitry A. Mainichev; Nikolay K. Moroz; Pavel A. Abramov; Dmitry Yu. Naumov; Maxim N. Sokolov; Vladimir P. Fedin","Cd2+ Complexation with P(CH2OH)3, OP(CH2OH)3, and (HOCH2)2PO2-: Coordination in Solution and Coordination Polymers","Inorganic Chemistry","2012","51","","9995","10003","10.1021/ic3014283","","x-ray","0.71073","MoKα","","0.0267","0.0241","","","0.0582","0.0592","","","","","","1.1","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330582","11.7039","0.0012","14.0727","0.0014","12.2051","0.0012","90","","110.84","0.001","90","","1878.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H57 B Er N9 Si2 -","- C29 H57 B Er N9 Si2 -","- C58 H114 B2 Er2 N18 Si4 -","2","0.5","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.0388","0.0374","","","0.0991","0.0998","","","","","","1.075","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330583","11.715","0.008","14.056","0.009","12.208","0.008","90","","110.937","0.008","90","","1878","2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H57 B N9 Si2 Y -","- C29 H57 B N9 Si2 Y -","- C58 H114 B2 N18 Si4 Y2 -","2","0.5","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.0817","0.0726","","","0.1677","0.172","","","","","","1.006","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330816","13.143","0.013","20.458","0.019","16.727","0.016","90","","103.039","0.012","90","","4382","7","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H39 N13 O29 Rh26 -","- C55 H39 N13 O29 Rh26 -","- C110 H78 N26 O58 Rh52 -","2","0.5","","Dmitriy S. Dolzhnikov; Maria C. Iapalucci; Giuliano Longoni; Cristina Tiozzo; Stefano Zacchini; Cristina Femoni","New High-Nuclearity Carbonyl and Carbonyl-Substituted Rhodium Clusters and Their Relationships with Polyicosahedral Carbonyl-Substituted Palladium- and Gold-Thiolates","Inorganic Chemistry","2012","51","","11214","11216","10.1021/ic3011508","","","0.71073","MoKα","","0.1593","0.1001","","","0.3053","0.3546","","","","","","1.105","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330852","5.0967","0.0003","19.7672","0.0011","9.0423","0.0007","90","","103.089","0.006","90","","887.32","0.1","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","trans-Difluoro-tetrakis(aqua)-aluminium bis(pyridinium) trichloride","","- C10 H20 Al Cl3 F2 N2 O4 -","- C10 H20 Al Cl3 F2 N2 O4 -","- C20 H40 Al2 Cl6 F4 N4 O8 -","2","0.5","","Anton Dimitrov; Detlef Heidemann; Khalaf I. Khallow; Erhard Kemnitz","Syntheses and Characterization of Salts with the [Al(D)4F2]+ Cation (D = Pyridine or Water)","Inorganic Chemistry","2012","51","","11612","11622","10.1021/ic301502u","","","0.71073","MoKα","","0.0507","0.0388","","","0.0774","0.081","","","","","","1.085","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330891","6.8114","0.0006","13.768","0.0013","11.0049","0.0009","90","","92.509","0.003","90","","1031.04","0.16","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H35 N2 Rh -","- C23 H35 N2 Rh -","- C46 H70 N4 Rh2 -","2","0.5","","Dimitri Matioszek; Nathalie Saffon; Jean-Marc Sotiropoulos; Karinne Miqueu; Annie Castel; Jean Escudié","Bis(amidinato)germylenerhodium Complexes: Synthesis, Structure, and Density Functional Theory Calculations","Inorganic Chemistry","2012","51","","11716","11721","10.1021/ic3016194","","","0.71073","MoKα","","0.0319","0.0273","","","0.0679","0.0709","","","","","","1.056","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4331212","8.2436","0.0008","11.4715","0.0012","10.3203","0.001","90","","109.448","0.002","90","","920.27","0.16","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H32 B11 N -","- C11 H32 B11 N -","- C22 H64 B22 N2 -","2","0.5","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.1013","0.0811","","","0.2233","0.2482","","","","","","1.085","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331413","4.318","","7.447","","8.099","","90","","93.33","","90","","259.993","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Au Cu Se4 -","- Au Cu Se4 -","- Au2 Cu2 Se8 -","2","0.5","","Park, Y.; Kanatzidis, M.G.","Au Cu Se4: a mixed polychalcogenide with (Se3)(2-) and Se(2-) anions","Inorganic Chemistry","2001","40","","5913","5916","10.1021/ic001471p","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4331619","12.334","0.003","22.413","0.002","19.9737","0.0015","90","","97.706","0.011","90","","5471.7","1.5","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C105.4 H114.8 Br2 Cl2.8 F20 N2 P4 Pt4 -","- C105.4 H40 Br2 Cl2.8 F20 N2 P4 Pt4 -","- C210.8 H80 Br4 Cl5.6 F40 N4 P8 Pt8 -","2","0.5","","Forniés, Juan; Fortuño, Consuelo; Gil, Reyes; Martín, Antonio","Tetranuclear platinum phosphido complexes with different structures.","Inorganic chemistry","2005","44","25","9534","9541","10.1021/ic051248y","","","0.71073","MoKα","","0.1539","0.0715","","","0.1624","0.1783","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331711","6.6397","0.0002","17.0068","0.0001","11.1684","0.0003","90","","105.636","0.002","90","","1214.47","0.05","164","2","164","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As F11 H3 N Te -","- As F11 H3 N Te -","- As6 F66 H18 N6 Te6 -","6","1.5","","Fir, Barbara; Whalen, J. Marc; Mercier, Hélène P. A.; Dixon, David A.; Schrobilgen, Gary J.","Syntheses of [F5TeNH3][AsF6], [F5TeN(H)Xe][AsF6], and F5TeNF2and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations: The X-ray Crystal Structures of α- and β-F5TeNH2, [F5TeNH3][AsF6], and [F5TeN(H)Xe][AsF6]","Inorganic Chemistry","2006","45","5","1978","1996","10.1021/ic051451t","","","0.71073","MoKα","","0.0335","0.0271","","","0.0735","0.0763","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331802","6.071","0.0012","12.924","0.003","13.592","0.003","90","","93.27","0.006","90","","1064.7","0.4","100","1","100","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H20 Cl6 Ga2 N4 -","- C12 H20 Cl6 Ga2 N4 -","- C24 H40 Cl12 Ga4 N8 -","2","0.5","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","","0.71073","MoKα","","0.1169","0.0572","","","0.1233","0.1469","","","","","","0.999","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331880","13.902","0.002","17.331","0.003","16.724","0.003","90","","109.696","0.003","90","","3793.7","1.1","193","2","193","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C43 H83.5 B2 F2 Fe6 Mo2 N15.5 O9 -","- C42 H18 B2 F2 Fe6 Mo2 N15.5 O S9 -","- C84 H36 B4 F4 Fe12 Mo4 N31 O2 S18 -","2","0.5","","Berlinguette, Curtis P.; Miyaji, Taichi; Zhang, Yugen; Holm, R. H.","Precursors to Clusters with the Topology of the PNCluster of Nitrogenase: Edge-Bridged Double Cubane Clusters [(Tp)2Mo2Fe6S8L4]z: Synthesis, Structures, and Electron Transfer Series","Inorganic Chemistry","2006","45","5","1997","2007","10.1021/ic051770k","","","0.71073","MoKα","","0.0785","0.0553","","","0.1752","0.1988","","","","","","1.086","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4332115","13.825","0.002","23.858","0.003","14.466","0.002","90","","90.481","0.002","90","","4771.3","1.1","240","2","240","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C60 H116 Ni6 O28 -","- C60 H114 Ni6 O28 -","- C120 H228 Ni12 O56 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0939","0.0644","","","0.1905","0.2143","","","","","","0.8","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332292","9.303","0.003","15.661","0.005","11.127","0.003","90","","109.605","0.003","90","","1527.2","0.8","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29 H28 Cl2 F3 O3 P3 S -","- C29 H28 Cl2 F3 O3 P3 S -","- C58 H56 Cl4 F6 O6 P6 S2 -","2","0.5","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.1901","0.1213","","","0.2778","0.3162","","","","","","1.089","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332414","11.5915","","5.3227","","24.7403","","90","","91.02","","90","","1526.19","","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bismuth cupper oxide phosphate","","","- Bi5.6 Cu2.07 O18 P3 -","- Bi5.6895 Cu2.406 O18 P3 -","- Bi22.758 Cu9.624 O72 P12 -","4","1","","Colmont, Marie; Huvé, Marielle; Mentré, Olivier","Bi3+/M2+Oxyphosphate: A Continuous Series of Polycationic Species from the 1D Single Chain to the 2D Planes. Part 2: Crystal Structure of Three Original Structural Types Showing a Combination of New Ribbonlike Polycations","Inorganic Chemistry","2006","45","17","6612","6621","10.1021/ic060343j","","","0.71073","MoKα","","0.1021","0.0635","","","0.0621","0.0709","","","","1.55","1.55","1.34","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332442","8.7275","0.0002","22.6306","0.0006","15.3268","0.0004","90","","105.059","0.001","90","","2923.22","0.13","90","0.2","90","0.2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H44 B2 Fe2 N26 Ni O2 -","- C50 H44.002 B2 Fe2 N26 Ni O2.001 -","- C100 H88.004 B4 Fe4 N52 Ni2 O4.002 -","2","0.5","","Li, Dongfeng; Clérac, Rodolphe; Parkin, Sean; Wang, Guangbin; Yee, Gordon T.; Holmes, Stephen M.","AnS= 2 Cyanide-Bridged Trinuclear FeIII2NiIISingle-Molecule Magnet","Inorganic Chemistry","2006","45","14","5251","5253","10.1021/ic060379b","","","1.54178","CuKα","","0.0854","0.0691","","","0.1771","0.1904","","","","","","1.039","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332611","8.89","0.002","7.6605","0.0008","10.6695","0.0013","90","","103.541","0.015","90","","706.4","0.2","110","","110","","","","","","","","?","4","P 1 21/m 1","-P 2yb","11","","","","- C7 Mo3 N2 O11 -","- C7 Mo3 N2 O11 -","- C14 Mo6 N4 O22 -","2","0.5","","Veltman, Thomas R.; Stover, Adam K.; Narducci Sarjeant, Amy; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis","Inorganic Chemistry","2006","45","14","5529","5537","10.1021/ic060558t","","","0.71073","MoKα","","0.056","0.0326","","0.0925","0.0743","0.0743","","","","","","0.9099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332629","10.015","0.002","12.534","0.003","11.605","0.002","90","","110.847","0.003","90","","1361.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H27 N3 O4 P2 W -","- C28 H27 N3 O4 P2 W -","- C56 H54 N6 O8 P4 W2 -","2","0.5","","Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J.","Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2)","Inorganic Chemistry","2006","45","17","6748","6755","10.1021/ic060576a","","","0.71073","MoKα","","0.054","0.0387","","","0.0721","0.0766","","","","","","0.983","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332729","11.6814","0.001","22.7064","0.001","12.782","0.001","90","","114.186","0.01","90","","3092.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C48 H40 Mn6 O33 Yb -","- C48 H40 Mn6 O33 Yb -","- C96 H80 Mn12 O66 Yb2 -","2","0.5","","Poplaukhin, Pavel V.; Chen, Xuenian; Meyers, Edward A.; Shore, Sheldon G.","Lanthanide−Transition Metal Carbonyl Complexes: Condensation of Solvent-Separated Ion-Pair Compounds into Extended Structures","Inorganic Chemistry","2006","45","25","10115","10125","10.1021/ic060756k","","","0.71073","MoKα","","0.0466","0.0327","","","0.0762","0.0814","","","","","","1.04","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332971","13.2098","0.0002","4.06725","0.00004","28.3909","0.0003","90","","94.6427","0.0003","90","","1520.37","0.03","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Fe0.47 In17.37 Pb8.04 Se34 -","- Fe0.464 In17.366 Pb8.04 Se34 -","- Fe0.464 In17.366 Pb8.04 Se34 -","1","0.25","","Matsushita, Yoshitaka; Sugiyama, Kazumasa; Ueda, Yutaka","Stabilization by a Divalent Transition Metal in Lead Indium Quaternary Selenide, Fe0.47Pb8.04In17.37Se34, and Specific Indium Coordination","Inorganic Chemistry","2006","45","17","6598","6600","10.1021/ic0611600","","","0.71069","MoKα","","0.0651","0.0299","","","0.058","0.0717","","","","","","0.821","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333130","5.675","0.002","15.81","0.006","7.963","0.003","90","","98.94","0.02","90","","705.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexacarbonyldi-μ-hydro(μ-pyridazine-κN1:κN2)dirhenium","","- C10 H6 N2 O6 Re2 -","- C10 H6 N2 O6 Re2 -","- C20 H12 N4 O12 Re4 -","2","0.5","","Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura","Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands","Inorganic Chemistry","2006","45","26","10909","10921","10.1021/ic061467z","","","0.71073","MoKα","","0.0274","0.0244","","","0.0578","0.0609","","","","","","1.243","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333283","3.8884","0.0005","6.417","0.0008","6.1051","0.0007","90","","96.413","0.002","90","","151.38","0.03","193","2","193","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Palladium Selenite","","","- O3 Pd Se -","- O3 Pd Se -","- O6 Pd2 Se2 -","2","0.5","","Ling, Jie; Albrecht-Schmitt, Thomas E","Selenium oxoanion compounds of palladium(II).","Inorganic chemistry","2007","46","14","5686","5690","10.1021/ic700524c","","","0.71073","MoKα","","0.0195","0.019","","","0.0473","0.0476","","","","","","1.146","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333495","5.8854","0.0012","11.014","0.002","10.227","0.002","90","","105.99","0.03","90","","637.3","0.2","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- F9 H2.8 K3.3 N0.7 O4 P Ti2 -","- F9 H2.8 K3.3 N0.7 O4 P Ti2 -","- F18 H5.6 K6.6 N1.4 O8 P2 Ti4 -","2","0.5","","Yang, Sihai; Li, Guobao; Li, Lei; Tian, Shujian; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses and Structural Characterization of a Series of One-Dimensional Fluorotitanophosphates (NH4)xK4 - x[Ti2PO4F9] (x= 0, 0.70, 1.00, 1.25)","Inorganic Chemistry","2007","46","26","11431","11436","10.1021/ic701715k","","","0.71073","MoKα","","0.0502","0.0474","","","0.1245","0.1261","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333496","5.8777","0.0012","10.991","0.002","10.219","0.002","90","","106.04","0.03","90","","634.5","0.2","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- F9 H4 K3 N O4 P Ti2 -","- F9 H4 K3 N O4 P Ti2 -","- F18 H8 K6 N2 O8 P2 Ti4 -","2","0.5","","Yang, Sihai; Li, Guobao; Li, Lei; Tian, Shujian; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses and Structural Characterization of a Series of One-Dimensional Fluorotitanophosphates (NH4)xK4 - x[Ti2PO4F9] (x= 0, 0.70, 1.00, 1.25)","Inorganic Chemistry","2007","46","26","11431","11436","10.1021/ic701715k","","","0.71073","MoKα","","0.0403","0.036","","","0.0881","0.0905","","","","","","1","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333497","5.8962","0.0012","11.011","0.002","10.252","0.002","90","","106.1","0.03","90","","639.5","0.2","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- F9 H5 K2.75 N1.25 O4 P Ti2 -","- F9 H5 K2.754 N1.246 O4 P Ti2 -","- F18 H10 K5.508 N2.492 O8 P2 Ti4 -","2","0.5","","Yang, Sihai; Li, Guobao; Li, Lei; Tian, Shujian; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses and Structural Characterization of a Series of One-Dimensional Fluorotitanophosphates (NH4)xK4 - x[Ti2PO4F9] (x= 0, 0.70, 1.00, 1.25)","Inorganic Chemistry","2007","46","26","11431","11436","10.1021/ic701715k","","","0.71073","MoKα","","0.0344","0.0308","","","0.0802","0.0824","","","","","","1","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333568","9.139","","13.516","","11.774","","90","","99.88","","90","","1432.79","","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","LH2PdCl2","8","","- C28 H34 Cl2 N6 O3 Pd -","- C28 H34 Cl2 N6 O3 Pd -","- C56 H68 Cl4 N12 O6 Pd2 -","2","0.5","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","","0.71073","MoKα","","0.0984","0.0576","","","0.1251","0.1392","","","","","","1.049","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333619","13.3935","0.0012","16.1715","0.0015","20.3596","0.0018","90","","106.364","0.001","90","","4231.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Co3 H62 K6 Na4 O97 Si2 W18 -","- Co3 K6 Na4 O89.8 Si2 W18 -","- Co6 K12 Na8 O179.6 Si4 W36 -","2","0.5","","Guibo Zhu; Yurii V. Geletii; Jie Song; Chongchao Zhao; Elliot N. Glass; John Bacsa; Craig L. Hill","Di- and Tri-Cobalt Silicotungstates: Synthesis, Characterization, and Stability Studies","Inorganic Chemistry","2013","52","","1018","1024","10.1021/ic302279m","","","0.71073","MoKα","","0.0952","0.0487","","","0.1025","0.1212","","","","","","1.016","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333637","9.6818","0.0005","14.556","0.0008","14.371","0.0008","90","","98.273","0.002","90","","2004.2","0.19","100","2","100.09","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","trans-bis(imidazole)-(N,N'-ethylene-bis(acetylacetoniminato)) -cobalt(iii) tetraphenylborate ethanol solvate","","- C44 H51 B Co N6 O3 -","- C43.5 H51 B Co N6 O3 -","- C87 H102 B2 Co2 N12 O6 -","2","0.5","","Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade","Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics","Inorganic Chemistry","2013","52","","1069","1076","10.1021/ic302379j","","","0.71073","MoKα","","0.0597","0.0459","","","0.119","0.1278","","","","","","1.013","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333864","15.5619","0.0016","21.25","0.002","18.164","0.002","90","0.003","91.633","0.003","90","0.003","6004.2","1.1","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C78 H45 Au3 O24 P3 Pt19 -","- C78 H45 Au3 O24 P3 Pt19 -","- C156 H90 Au6 O48 P6 Pt38 -","2","0.5","","Alessandro Ceriotti; Piero Macchi; Annalisa Sironi; Simona El Afefey; Matteo Daghetta; Serena Fedi; Fabrizia Fabrizi de Biani; Roberto Della Pergola","Cooperative Effects of Electron Donors and Acceptors for the Stabilization of Elusive Metal Cluster Frameworks: Synthesis and Solid-State Structures of [Pt19(CO)24(μ4-AuPPh3)3]- and [Pt19(CO)24{μ4-Au2(PPh3)2}2]","Inorganic Chemistry","2013","52","","1960","1964","10.1021/ic302282y","","","0.71069","MoKα","","0.1619","0.0783","","","0.223","0.2389","","","","","","1.043","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333931","9.17","0.01","26.13","0.03","11.528","0.013","90","","96.222","0.016","90","","2746","5","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C59 H47 Cl8 N3 O Pt -","- C59 H47 Cl8 N3 O Pt -","- C118 H94 Cl16 N6 O2 Pt2 -","2","0.5","","Zhaoli Xue; Daiki Kuzuhara; Shinya Ikeda; Tetsuo Okujima; Shigeki Mori; Hidemitsu Uno; Hiroko Yamada","Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes","Inorganic Chemistry","2013","52","","1688","1690","10.1021/ic302624h","","","0.71075","MoKα","","0.0937","0.0876","","","0.2268","0.2339","","","","","","1.117","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4334163","13.2474","0.0005","20.2689","0.0007","13.986","0.0005","90","","108.519","0.001","90","","3560.9","0.2","90","2","90","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C86 H91 Li Pb S3 -","- C86 H91 Li Pb S3 -","- C172 H182 Li2 Pb2 S6 -","2","0.5","","Brian D. Rekken; Thomas M. Brown; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","Stable Plumbylene Dichalcogenolate Monomers with Large Differences in Their Interligand Angles and the Synthesis and Characterization of a Monothiolato Pb(II) Bromide and Lithium Trithiolato Plumbate","Inorganic Chemistry","2013","52","","3054","3062","10.1021/ic302513c","","","0.71073","MoKα","","0.0243","0.0217","","","0.0494","0.0504","","","","","","1.097","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334851","13.2613","0.0003","18.7487","0.0005","18.4005","0.0005","90","","96.62","0.001","90","","4544.5","0.2","100","2","99.99","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C78 H78 F28 N4 O8 P8 Pt2 S4 -","- C78 H78 F28 N4 O8 P8 Pt2 S4 -","- C156 H156 F56 N8 O16 P16 Pt4 S8 -","2","0.5","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54184","CuKα","","0.0372","0.0334","","","0.0856","0.0883","","","","","","1.093","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4335157","5.7206","0.0002","12.474","0.0003","13.1586","0.0004","90","","115.773","0.001","90","","845.58","0.04","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H12 N O4 Re -","- C4 H12 N O4 Re -","- C16 H48 N4 O16 Re4 -","4","1","","Maria V. Ivanova; Tobias Köchner; Hélène P. A. Mercier; Gary J. Schrobilgen","Synthesis and Lewis Acid Properties of (ReO3F)∞and the X-ray Crystal Structures of (HF)2ReO3F.HF and [N(CH3)4]2-[{ReO3(μ-F)}3(μ3-O)].CH3CN","Inorganic Chemistry","2013","52","","6806","6819","10.1021/ic302221y","","","0.71073","MoKα","","0.046","0.0343","","","0.0947","0.1032","","","","","","0.909","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335341","9.2815","0.0004","15.4392","0.0007","9.3057","0.0004","90","","116.012","0.002","90","","1198.42","0.09","294","2","294","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 Cu N5 O10 U -","- C19 H19 Cu N5 O10 U -","- C38 H38 Cu2 N10 O20 U2 -","2","0.5","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.0314","0.0249","","","0.059","0.0624","","","","","","1.022","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335903","8.33711","0.00008","23.5742","0.0002","9.73406","0.0001","90","","109.294","0.0011","90","","1805.69","0.03","110","0.1","110","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H23 D12 F9 I N5 Zr -","- C37 H23 D12 F9 I N5 Zr -","- C74 H46 D24 F18 I2 N10 Zr2 -","2","0.5","","Solveig A. Scholl; Gudrun T. Plundrich; Hubert Wadepohl; Lutz H. Gade","Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes","Inorganic Chemistry","2013","52","","10158","10166","10.1021/ic401603y","","x-ray","0.7107","MoKα","","0.0306","0.0221","","","0.0432","0.0458","","","","","","1.054","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335904","8.33527","0.00004","18.16024","0.00009","9.30851","0.00005","90","","110.913","0.0006","90","","1316.21","0.013","114.95","0.18","114.95","0.18","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H23 Cl F9 N5 Zr -","- C25 H23 Cl F9 N5 Zr -","- C50 H46 Cl2 F18 N10 Zr2 -","2","0.5","","Solveig A. Scholl; Gudrun T. Plundrich; Hubert Wadepohl; Lutz H. Gade","Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes","Inorganic Chemistry","2013","52","","10158","10166","10.1021/ic401603y","","x-ray","0.7107","MoKα","","0.0206","0.0189","","","0.0507","0.0517","","","","","","1.067","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4336382","10.3497","0.0009","42.817","0.004","11.9166","0.0009","90","","101.797","0.002","90","","5169.2","0.8","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H41.5 Cl3 N17.5 O13 Zn2 -","- C43 H40.5 Cl3 N17.5 O13 Zn2 -","- C172 H162 Cl12 N70 O52 Zn8 -","4","1","","Daniel L. Reger; Andrea E. Pascui; Perry J. Pellechia; Mark D. Smith","Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles: A Unique Case of Concerted Double Berry Pseudorotation","Inorganic Chemistry","2013","52","","11638","11649","10.1021/ic402073d","","","0.71073","MoKα","","0.1237","0.0679","","","0.1516","0.1706","","","","","","0.949","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336414","7.7911","0.0002","17.2678","0.0005","8.2311","0.0003","90","","108.603","0.0015","90","","1049.51","0.06","295","","295","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H24 Mn N5 O7 -","- C19 H24 Mn N5 O7 -","- C38 H48 Mn2 N10 O14 -","2","0.5","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia","Iron and Manganese Pyridoxal-Based Complexes as Fluorescent Probes for Nitrite and Nitrate Anions in Aqueous Solution","Inorganic Chemistry","2013","52","","11778","11786","10.1021/ic401055k","","","0.71073","MoKα","","0.0639","0.0423","","","0.1051","0.1152","","","","","","1.048","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4337253","10.3203","0.001","42.774","0.004","11.9508","0.0012","90","","102.136","0.002","90","","5157.7","0.9","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41.5 H43 Cl3 Fe2 N16 O14.5 -","- C41.499 H36 Cl3 Fe2 N16 O14.499 -","- C165.996 H144 Cl12 Fe8 N64 O57.996 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.1086","0.0529","","","0.1176","0.1325","","","","","","0.885","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337256","10.6154","0.0004","42.3862","0.0016","11.5326","0.0004","90","","101.648","0.001","90","","5082.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H41.5 Cl3 Cu2 N17.5 O13 -","- C43 H41.5 Cl3 Cu2 N17.5 O13 -","- C172 H166 Cl12 Cu8 N70 O52 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.0862","0.0489","","","0.0931","0.1031","","","","","","0.894","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337526","3.9511","0.0004","14.0715","0.0017","7.089","0.0009","90","","93.464","0.005","90","","393.41","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H6 F4 N Nb O -","- C4.98 H6 F4 N1.02 Nb O -","- C9.96 H12 F8 N2.04 Nb2 O2 -","2","0.5","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Liu, Zhengtang; Poeppelmeier, Kenneth R.","From solution to the solid state: control of niobium oxide-fluoride [NbOxFy]n- species.","Inorganic chemistry","2014","53","1","537","542","10.1021/ic402561g","","x-ray","0.71069","MoKα","","0.1165","0.0492","","","0.0617","0.0751","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337703","3.8855","0.0005","15.424","0.002","11.2995","0.0015","90","","93.551","0.007","90","","675.88","0.15","260","2","260","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H9 Cl Cu N9 -","- C11 H9 Cl Cu N9 -","- C22 H18 Cl2 Cu2 N18 -","2","0.5","","Hui, Alice K.; Losovyj, Yaroslav; Lord, Richard L.; Caulton, Kenneth G.","Chemical Implications of Incompatible Ligand versus Metal Coordination Geometry Preferences.","Inorganic chemistry","2014","53","6","3039","3047","10.1021/ic402866e","","","0.71073","MoKα","","0.0789","0.0535","","","0.1182","0.1303","","","","","","1.07","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337904","13.173","0.002","20.597","0.004","14.857","0.003","90","","115.395","0.002","90","","3641.6","1.2","123","","123","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C2 H38 K8 O78 P2 Ru S W17 -","- C2 H6 K6.7 O72.41 P2 Ru S W17 -","- C4 H12 K13.4 O144.82 P4 Ru2 S2 W34 -","2","0.5","","Ogo, Shuhei; Shimizu, Noriko; Nishiki, Kensuke; Yasuda, Nobuhiro; Mizuta, Tsutomu; Sano, Tsuneji; Sadakane, Masahiro","Preparation and Redox Studies of α1- and α2-Isomers of Mono-Ru-Substituted Dawson-type Phosphotungstates with a DMSO Ligand: [α1/α2-P2W17O61Ru(II)(DMSO)](8-)","Inorganic chemistry","2014","53","7","3526","","10.1021/ic403041s","","","0.71073","MoKα","","0.0848","0.0552","","","0.1459","0.1649","","","","","","1.044","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337967","6.3996","0.0005","11.0092","0.0009","7.7964","0.0006","90","","98.145","0.004","90","","543.75","0.07","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H14 Cl1.21 N3.38 P -","- C6 H14 Cl1.208 N3.376 P -","- C12 H28 Cl2.416 N6.752 P2 -","2","0.5","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.0835","0.0468","","","0.097","0.1112","","","","","","1.037","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4338003","10.0049","0.0009","20.86","0.002","10.331","0.001","90","","112.852","0.003","90","","1986.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","CsN(C6F5)(C4F9)","Cesium-(pentafluorophenyl)(nonafluoro-tert-butyl)amide","","- C17 H8 Cs F14 N -","- C17 H8 Cs F14 N -","- C68 H32 Cs4 F56 N4 -","4","1","","Kögel, Julius F; Finger, Lars H.; Frank, Nicolas; Sundermeyer, Jörg","The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile Alkaline and Earth Alkaline Metal Salts.","Inorganic chemistry","2014","53","7","3839","","10.1021/ic5001717","","","0.71073","MoKα","","0.031","0.0235","","","0.0582","0.0704","","","","","","1.203","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338085","6.8632","0.0001","18.596","0.0003","9.3849","0.0002","90","","97.289","0.001","90","","1188.1","0.04","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H28 Cu I O4 S2 -","- C22 H28 Cu I O4 S2 -","- C44 H56 Cu2 I2 O8 S4 -","2","0.5","","Ryu, Hyunsoo; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A Ditopic O4S2 Macrocycle and Its Hard, Soft, and Hard/Soft Metal Complexes Exhibiting Endo-, Exo-, or Endo/Exocyclic Coordination: Synthesis, Crystal Structures, NMR Titration, and Physical Properties.","Inorganic chemistry","2014","53","8","4029","4038","10.1021/ic4030475","","","0.71073","MoKα","","0.0514","0.0498","","","0.1261","0.1271","","","","","","1.467","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338138","7.6217","0.0012","21.232","0.004","8.1478","0.0013","90","","99.082","0.016","90","","1302","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H41 K O8 Sn -","- C19 H41 K O8 Sn -","- C38 H82 K2 O16 Sn2 -","2","0.5","","Kleeberg, Christian; Grunenberg, Jörg; Xie, Xiulan","K-H3C and K-Sn Interactions in Potassium Trimethylstannyl Complexes: A Structural, Mechanochemical, and NMR Study.","Inorganic chemistry","2014","53","9","4400","4410","10.1021/ic500065s","","","0.71073","MoKα","","0.1024","0.0641","","","0.1339","0.143","","","","","","0.946","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338237","12.7724","0.0008","17.2403","0.0013","15.1612","0.0012","90","","93.5841","","90","","3332","0.4","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Al3 Cs6 H15 O65 P2 W15 -","- Al3 Cs6 O62 P2 W15 -","- Al6 Cs12 O124 P4 W30 -","2","0.5","","Kato, Chika Nozaki; Kashiwagi, Toshifumi; Unno, Wataru; Nakagawa, Miyuki; Uno, Hidemitsu","Syntheses and Molecular Structures of Monomeric and Hydrogen-Bonded Dimeric Dawson-Type Trialuminum-Substituted Polyoxotungstates Derived under Acidic and Basic Conditions.","Inorganic chemistry","2014","53","10","4824","4832","10.1021/ic402650g","","","0.7107","MoKα","","","0.1582","","","","0.4692","","","","","","1.927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338416","8.5703","0.0018","7.1374","0.0015","8.6043","0.0019","90","","107.09","0.003","90","","503.08","0.19","90","2","90","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","dibismuth iron diselenite oxo trichloride","","- Bi2 Cl3 Fe O7 Se2 -","- Bi2 Cl3 Fe O7 Se2 -","- Bi4 Cl6 Fe2 O14 Se4 -","2","0.5","","Berdonosov, Peter S.; Kuznetsova, Elena S.; Dolgikh, Valery A.; Sobolev, Alexei V.; Presniakov, Igor A.; Olenev, Andrei V.; Rahaman, Badiur; Saha-Dasgupta, Tanusri; Zakharov, Konstantin V.; Zvereva, Elena A.; Volkova, Olga S.; Vasiliev, Alexander N.","Crystal Structure, Physical Properties, and Electronic and Magnetic Structure of the Spin S = (5)/2 Zigzag Chain Compound Bi2Fe(SeO3)2OCl3.","Inorganic chemistry","2014","53","11","5830","5838","10.1021/ic500706f","","","0.71073","MoKα","","0.054","0.0381","","","0.0817","0.0889","","","","","","0.999","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338677","11.3307","0.0009","3.8078","0.0003","13.6298","0.0011","90","","106.154","0.003","90","","564.84","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","3816","sodium calcium niobium iron arsenide","","- As6 Ca2.56 Fe7.49 Na0.44 Nb0.51 -","- As6 Ca2.5556 Fe7.4921 Na0.44 Nb0.51 -","- As12 Ca5.1112 Fe14.9842 Na0.88 Nb1.02 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.1336","0.0813","","","0.1783","0.1971","","","","","","1.01","","","","has coordinates","287929","2023-12-01","12:10:07",""
"4338678","7.2734","0.0006","3.8149","0.0003","9.7577","0.0008","90","","100.704","0.0015","90","","266.04","0.04","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","153","calcium iron arsenide","","- As3 Ca Fe5 -","- As3 Ca Fe5 -","- As6 Ca2 Fe10 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.0369","0.0325","","","0.085","0.0943","","","","2.54","2.54","2.65","","","","has coordinates","287929","2023-12-01","12:10:09",""
"4338681","11.3169","0.0005","3.8809","0.0002","13.7008","0.0006","90","","105.957","0.002","90","","578.55","0.05","293","","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","3816","calcium iron platinum arsenide","","- As6 Ca3 Fe7.705 Pt1.295 -","- As6 Ca3 Fe7.705 Pt1.295 -","- As12 Ca6 Fe15.41 Pt2.59 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.0315","0.0239","","","0.0663","0.0723","","","","1.89","1.89","1.87","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338683","15.564","0.003","3.9679","0.0006","17.88","0.003","90","","108.748","0.005","90","","1045.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","calcium iron palladium arsenide","","- As10 Ca6 Fe7.879 Pd6.121 -","- As10 Ca6 Fe7.921 Pd6.079 -","- As20 Ca12 Fe15.842 Pd12.158 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.1247","0.0637","","","0.1416","0.1532","","","","2.7","2.7","2.09","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338684","15.4986","0.0006","3.9807","0.0002","17.8142","0.0008","90","","109.169","0.0012","90","","1038.12","0.08","293","","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","611310","calcium iron platinum arsenide","","- As10 Ca6 Fe7.627 Pt6.373 -","- As10 Ca6 Fe7.623 Pt6.377 -","- As20 Ca12 Fe15.246 Pt12.754 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.045","0.0296","","","0.0743","0.0813","","","","1.29","1.29","1.22","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338735","19.3268","0.0009","19.3522","0.0003","11.0599","0.0005","90","","132.208","0.007","90","","3064","0.4","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H40 Cl3 N10 O14 Ru2 -","- C54 H40 Cl3 N10 O14 Ru2 -","- C108 H80 Cl6 N20 O28 Ru4 -","2","0.5","","Mandal, Abhishek; Agarwala, Hemlata; Ray, Ritwika; Plebst, Sebastian; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of the valence structure in diruthenium complexes as a function of terminal and bridging ligands.","Inorganic chemistry","2014","53","12","6082","6093","10.1021/ic500452h","","","1.5418","CuKα","","0.0535","0.0506","","","0.1436","0.1466","","","","","","1.037","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338741","10.0082","0.0014","21.721","0.003","14.825","0.002","90","","108.029","0.002","90","","3064.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H35 Cu8 N9 O104 W22 -","- C42 H35 Cu8 N9 O104 W22 -","- C42 H35 Cu8 N9 O104 W22 -","1","0.25","","Han, Qiuxia; Sun, Xueping; Li, Jie; Ma, Pengtao; Niu, Jingyang","Novel Isopolyoxotungstate [H2W11O38](8-) Based Metal Organic Framework: As Lewis Acid Catalyst for Cyanosilylation of Aromatic Aldehydes.","Inorganic chemistry","2014","53","12","6107","6112","10.1021/ic5004879","","","0.71073","MoKα","","0.0604","0.0411","","","0.1111","0.1187","","","","","","1.009","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338787","12.0837","0.0005","15.2035","0.0006","13.6888","0.0006","90","","93.922","0.0014","90","","2508.94","0.18","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C48 H84 Ir2 N2 Si2 Zr2 -","- C48 H66 Ir2 N2 Si2 Zr2 -","- C96 H132 Ir4 N4 Si4 Zr4 -","2","0.5","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0303","0.0258","","","0.0545","0.0562","","","","","","1.054","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338941","11.3925","0.0013","4.0483","0.0005","11.6844","0.0014","90","","108.915","0.002","90","","509.79","0.11","193","2","193","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","samarium lutetium selenide","","","- Lu2.18 Se6 Sm1.82 -","- Lu2.17 Se6 Sm1.83 -","- Lu4.34 Se12 Sm3.66 -","2","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E","Syntheses, structures, magnetism, and optical properties of lutetium-based interlanthanide selenides.","Inorganic chemistry","2007","46","22","9213","9220","10.1021/ic701012j","","","0.71073","MoKα","","0.0325","0.03","","","0.081","0.0822","","","","","","1.116","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338942","11.4274","0.0012","4.0542","0.0004","11.716","0.0012","90","","109.005","0.002","90","","513.2","0.09","193","2","193","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","gadolinium lutetium selenide","","","- Gd1.87 Lu2.13 Se6 -","- Gd1.86 Lu2.14 Se6 -","- Gd3.72 Lu4.28 Se12 -","2","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E","Syntheses, structures, magnetism, and optical properties of lutetium-based interlanthanide selenides.","Inorganic chemistry","2007","46","22","9213","9220","10.1021/ic701012j","","","0.71073","MoKα","","0.0332","0.0308","","","0.0804","0.0817","","","","","","1.074","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338977","10.2208","0.0004","19.127","0.0014","10.7564","0.0007","90","","90.242","0.004","90","","2102.8","0.2","105","2","105","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C74 H106 Cl4 Ga2 N4 O4 Zn2 -","- C74 H106 Cl4 Ga2 N4 O4 Zn2 -","- C74 H106 Cl4 Ga2 N4 O4 Zn2 -","1","0.25","","Kempter, Andreas; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.","Synthesis and structure of new compounds with Zn-Ga bonds: insertion of the gallium(I) bisimidinate Ga(DDP) into Zn-X (X = CH3, Cl) and the homoleptic complex cation [Zn(GaCp*)4]2+.","Inorganic chemistry","2007","46","22","9481","9487","10.1021/ic7013804","","","0.71073","MoKα","","0.1269","0.0596","","","0.1382","0.1462","","","","","","0.817","","","","has coordinates,has disorder","179492","2020-10-21","18:00:00",""
"4339059","3.872","0.003","16.647","0.01","7.377","0.005","90","","99.074","0.008","90","","469.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 Br2 Cu2 N6 -","- C3 H6 Br2 Cu2 N6 -","- C6 H12 Br4 Cu4 N12 -","2","0.5","","Zhang, Lei; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yin, Pei-Xiu; Yao, Yuan-Gen","New coordination motifs of melamine directed by N-H—X (X = Cl or Br) hydrogen bonds.","Inorganic chemistry","2007","46","15","5838","5840","10.1021/ic7005138","","","0.71073","MoKα","","0.0333","0.0284","","","0.0661","0.0683","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339148","9.0339","0.0003","26.9953","0.001","15.3334","0.0006","90","","92.521","0.001","90","","3735.8","0.2","150","1","150","1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29.5 H35 Ag F3 N8 O6.5 S -","- C29.5 H35 Ag F3 N8 O6.5 S -","- C118 H140 Ag4 F12 N32 O26 S4 -","4","1","","Reger, Daniel L.; Foley, Elizabeth A.; Semeniuc, Radu F.; Smith, Mark D.","Structural comparisons of silver(I) complexes of third-generation ligands built from tridentate (o-C(6)H(4)[CH(2)OCH(2)C(pz)(3)](2)) versus bidentate poly(1-pyrazolyl)methane units (o-C(6)H(4)[CH(2)OCH(2)CH(pz)(2)](2)) (pz = pyrazolyl ring).","Inorganic chemistry","2007","46","26","11345","11355","10.1021/ic7017743","","","0.71073","MoKα","","0.0611","0.0481","","","0.1451","0.1526","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339396","13.0818","0.0006","17.1151","0.0008","17.1817","0.0008","90","","92.599","0.001","90","","3843","0.3","210","2","210","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C72 H83 Cl Li2 O12 Si4 Y -","- C72 H83 Cl Li2 O12 Si4 Y -","- C144 H166 Cl2 Li4 O24 Si8 Y2 -","2","0.5","","Giessmann, Stephan; Blaurock, Steffen; Lorenz, Volker; Edelmann, Frank T.","Structural varieties in heterobimetallic lanthanide disiloxanediolates: ""inorganic metallocenes"" versus in-plane metallacrowns.","Inorganic chemistry","2007","46","24","10383","10389","10.1021/ic701227n","","","0.71073","MoKα","","0.0743","0.0584","","","0.1802","0.1877","","","","","","1.057","","","","has coordinates,has disorder","179496","2020-10-21","18:00:00",""
"4339459","5.973","0.004","25.5","0.015","9.858","0.007","90","","113.752","0.009","90","","1374.3","1.6","173.1","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C32 H42 O3 -","- C32 H42 O3 -","- C64 H84 O6 -","2","0.5","","Matsuo, Tsukasa; Kawaguchi, Hiroyuki","Anisole-diphenoxide ligands and their zirconium dichloride and dialkyl complexes.","Inorganic chemistry","2007","46","20","8426","8434","10.1021/ic7011167","","","0.7107","MoKα","","","0.0543","","","","0.114","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339911","9.941","0.002","10.111","0.003","10.206","0.002","90","","91.303","0.016","90","","1025.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dichloro(1,2-bis(dimethylarsino)benzene)gallium(III) tetrachlorogallate(III)","","- C10 H16 As2 Cl6 Ga2 -","- C10 H16 As2 Cl6 Ga2 -","- C20 H32 As4 Cl12 Ga4 -","2","0.5","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation, characterization, and structural systematics of diphosphane and diarsane complexes of gallium(III) halides.","Inorganic chemistry","2007","46","17","7215","7223","10.1021/ic700895r","","","0.71073","MoKα","","0.0836","0.0668","","","0.1366","0.1463","","","","","","1.097","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339914","6.443","0.002","10.168","0.004","7.776","0.003","90","","113.15","0.03","90","","468.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Trichlorido(trimethylarsane)gallium(III)","","- C3 H9 As Cl3 Ga -","- C3 H9 As Cl3 Ga -","- C6 H18 As2 Cl6 Ga2 -","2","0.5","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation, characterization, and structural systematics of diphosphane and diarsane complexes of gallium(III) halides.","Inorganic chemistry","2007","46","17","7215","7223","10.1021/ic700895r","","","0.71073","MoKα","","0.0599","0.0358","","","0.076","0.0838","","","","","","1.056","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339915","7.103","0.002","11.444","0.004","8.076","0.003","90","","114.43","0.02","90","","597.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tri-iodido(trimethylarsane)gallium(III)","","- C3 H9 As Ga I3 -","- C3 H9 As Ga I3 -","- C6 H18 As2 Ga2 I6 -","2","0.5","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation, characterization, and structural systematics of diphosphane and diarsane complexes of gallium(III) halides.","Inorganic chemistry","2007","46","17","7215","7223","10.1021/ic700895r","","","0.71073","MoKα","","0.0416","0.0284","","","0.058","0.0614","","","","","","1.079","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339916","6.677","0.003","10.674","0.006","7.877","0.004","90","","113.57","0.03","90","","514.6","0.5","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tribromido(trimethylarsane)gallium(III)","","- C3 H9 As Br3 Ga -","- C3 H9 As Br3 Ga -","- C6 H18 As2 Br6 Ga2 -","2","0.5","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation, characterization, and structural systematics of diphosphane and diarsane complexes of gallium(III) halides.","Inorganic chemistry","2007","46","17","7215","7223","10.1021/ic700895r","","","0.71073","MoKα","","0.132","0.0498","","","0.0809","0.0999","","","","","","0.978","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340085","4.2501","0.0003","9.2223","0.0007","5.384","0.0004","90","","90.043","0.002","90","","211.03","0.03","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Neptunium selenite","","","- Np O5 Se -","- Np O5 Se -","- Np2 O10 Se2 -","2","0.5","","Diefenbach, Kariem; Lin, Jian; Cross, Justin N.; Dalal, Naresh S.; Shatruk, Michael; Albrecht-Schmitt, Thomas E","Expansion of the Rich Structures and Magnetic Properties of Neptunium Selenites: Soft Ferromagnetism in Np(SeO3)2.","Inorganic chemistry","2014","53","14","7154","7159","10.1021/ic500181t","","","0.71073","MoKα","","0.0376","0.0373","","","0.1111","0.1114","","","","","","1.86","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340132","13.591","0.005","29.082","0.005","19.884","0.005","90","0.005","96.667","0.005","90","0.005","7806","4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C43 H29 N6 O8 Zn2 -","- C43 H29 N6 O8 Zn2 -","- C172 H116 N24 O32 Zn8 -","4","1","","Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.","Construction of non-interpenetrated charged metal-organic frameworks with doubly pillared layers: pore modification and selective gas adsorption.","Inorganic chemistry","2014","53","14","7591","7598","10.1021/ic500900n","","","0.71069","MoKα","","0.0749","0.0489","","","0.1124","0.1183","","","","","","0.888","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340133","18.3859","0.0011","28.9574","0.0018","18.3999","0.0012","90","","114.54","0.001","90","","8911.4","1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C51 H33 N6 O8 Zn2 -","- C51 H33 N6 O8 Zn2 -","- C204 H132 N24 O32 Zn8 -","4","1","","Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.","Construction of non-interpenetrated charged metal-organic frameworks with doubly pillared layers: pore modification and selective gas adsorption.","Inorganic chemistry","2014","53","14","7591","7598","10.1021/ic500900n","","","0.71073","MoKα","","0.1056","0.0665","","","0.1938","0.2089","","","","","","1.07","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340427","5.0996","0.0001","21.2595","0.0006","8.9209","0.0003","90","","90.2394","0.0014","90","","967.15","0.05","150","","150","","","","","","","","?","7","P 1 21/m 1","-P 2yb","11","","TiGaPO-1 ?","","- C5 H10 Ga N O22 P5 Ti3 -","- C5 H10 Ga N O22 P5 Ti3 -","- C10 H20 Ga2 N2 O44 P10 Ti6 -","2","0.5","","Chippindale, Ann M.; Grimshaw, Mark R.; Powell, Anthony V.; Cowley, Andrew R.","Topotactic oxidation of TiGaPO-1, a pyridine-templated titanium gallophosphate with a new octahedral-tetrahedral 3-D framework structure containing Ti(III)/Ti(IV).","Inorganic chemistry","2005","44","12","4121","4123","10.1021/ic050399y","","","0.71073","MoKα","","0.0498","0.0347","","0.0432","0.0368","0.0368","","","","","","1.0598","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340485","8.2162","0.0005","6.0972","0.0003","17.4071","0.0012","90","","96.733","0.004","90","","866.01","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Rb Te9 Ti U3 -","- Rb Te9 Ti U3 -","- Rb2 Te18 Ti2 U6 -","2","0.5","","Ward, Matthew D.; Mesbah, Adel; Lee, Minseong; Malliakas, Christos D.; Choi, Eun Sang; Ibers, James A.","Synthesis and Characterization of Two Quaternary Uranium Tellurides, RbTiU3Te9 and CsTiU3Te9.","Inorganic chemistry","2014","53","15","7909","","10.1021/ic500599d","","","0.71073","MoKα","","0.0455","0.0307","","","0.0687","0.0912","","","","","","1.083","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340486","8.273","0.0002","6.1154","0.0002","17.4906","0.0005","90","","96.778","0.001","90","","878.71","0.04","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cs Te9 Ti U3 -","- Cs Te9 Ti U3 -","- Cs2 Te18 Ti2 U6 -","2","0.5","","Ward, Matthew D.; Mesbah, Adel; Lee, Minseong; Malliakas, Christos D.; Choi, Eun Sang; Ibers, James A.","Synthesis and Characterization of Two Quaternary Uranium Tellurides, RbTiU3Te9 and CsTiU3Te9.","Inorganic chemistry","2014","53","15","7909","","10.1021/ic500599d","","","0.71073","MoKα","","0.0368","0.0327","","","0.0806","0.0814","","","","","","1.744","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340551","8.1106","0.0003","12.3324","0.0005","13.7055","0.0005","90","","102.507","0.002","90","","1338.34","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H33 Cl Cu2 N6 O10 -","- C20 H33 Cl Cu2 N6 O10 -","- C40 H66 Cl2 Cu4 N12 O20 -","2","0.5","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.0679","0.0445","","","0.1126","0.1246","","","","","","1.015","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340756","5.4548","0.0004","15.3443","0.001","8.0291","0.0005","90","","99.492","0.001","90","","662.84","0.08","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Holmium tellurite sulfate","","","- H0 Ho3 O16 S2 Te2 -","- Ho3 O16 S2 Te2 -","- Ho6 O32 S4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0241","0.0239","","","0.0603","0.0604","","","","","","1.137","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340848","6.9783","0.0003","17.4513","0.0008","7.0867","0.0003","90","","90.808","0.003","90","","862.94","0.07","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- As2 O16 Rb4 U3 -","- As2 O16 Rb4 U3 -","- As4 O32 Rb8 U6 -","2","0.5","","Liu, Hsin-Kuan; Ramachandran, Eswaran; Chen, Yi-Hsin; Chang, Wen-Jung; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, characterization, and structural relationships of layered uranyl arsenates.","Inorganic chemistry","2014","53","17","9065","9072","10.1021/ic501091g","","","0.71073","MoKα","","0.0456","0.0269","","","0.0468","0.0508","","","","","","1.006","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4341123","11.5255","0.0006","15.5222","0.0007","12.2666","0.0006","90","","116.007","0.006","90","","1972.29","0.19","105","2","105","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H56 Ni2 Zn8 -","- C33 H56 Ni2 Zn8 -","- C66 H112 Ni4 Zn16 -","2","0.5","","Molon, Mariusz; Gemel, Christian; Jerabek, Paul; Trombach, Lukas; Frenking, Gernot; Fischer, Roland A.","Hume-Rothery Phase-Inspired Metal-Rich Molecules: Cluster Expansion of [Ni(ZnMe)6(ZnCp*)2] by Face Capping with Ni(0)(η(6)-toluene) and Ni(I)(η(5)-Cp*).","Inorganic chemistry","2014","53","19","10403","10411","10.1021/ic5014335","","","0.71073","MoKα","","0.0925","0.054","","","0.0987","0.1123","","","","","","1.036","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341215","9.38","0.008","23.239","0.019","10.248","0.008","90","","95.498","0.012","90","","2224","3","273","2","273","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C20.5 H16.5 Cl0.5 F1.5 Ir0.5 N O1.5 P S0.5 -","- C20.5 H16.5 Cl0.5 F1.5 Ir0.5 N O1.5 P S0.5 -","- C82 H66 Cl2 F6 Ir2 N4 O6 P4 S2 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.1428","0.0908","","","0.2146","0.2425","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341241","12.962","0.003","16.979","0.003","13.317","0.003","90","","104.16","0.03","90","","2841.8","1.1","292","2","292","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C39.5 H76 O16 Ti4 -","- C39.4994 H75.9982 O16 Ti4 -","- C78.9988 H151.996 O32 Ti8 -","2","0.5","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.0876","0.0761","","","0.222","0.2399","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341259","11.2843","0.0008","25.6605","0.0018","11.7228","0.0008","90","","118.009","0.009","90","","2996.9","0.4","98","2","98","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C50 H49 Fe4 K3 N4 O30 -","- C50 H49 Fe4 K3 N4 O30 -","- C100 H98 Fe8 K6 N8 O60 -","2","0.5","","Stewart, Christopher D.; Arman, Hadi; Bawazir, Huda; Musie, Ghezai T.","Synthesis, Characterization, and Spectroscopic Investigation of New Iron(III) and Copper(II) Complexes of a Carboxylate Rich Ligand and Their Interaction with Carbohydrates in Aqueous Solution.","Inorganic chemistry","2014","53","20","10974","10988","10.1021/ic501351a","","","0.71073","MoKα","","0.0771","0.058","","","0.133","0.1413","","","","","","1.034","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341509","8.929","0.003","22.93","0.008","9.205","0.003","90","","117.449","0.006","90","","1672.5","1","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H10 F10 Fe2 N6 O6 P6 -","- C22 H10 F10 Fe2 N6 O6 P6 -","- C44 H20 F20 Fe4 N12 O12 P12 -","2","0.5","","Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.","Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.","Inorganic chemistry","2014","53","19","10674","10684","10.1021/ic501821v","","","0.71073","MoKα","","0.1142","0.0883","","","0.154","0.1636","","","","","","1.277","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341533","7.6046","0.0002","19.8371","0.0007","10.7692","0.0004","90","","94.893","0.003","90","","1618.65","0.09","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H33 Ge3 Mn3 N8 O Se9 -","- C8 H33 Ge3 Mn3 N8 O Se9 -","- C16 H66 Ge6 Mn6 N16 O2 Se18 -","2","0.5","","Zhang, Guodong; Li, Peizhou; Ding, Junfeng; Liu, Yi; Xiong, Wei-Wei; Nie, Lina; Wu, Tom; Zhao, Yanli; Tok, Alfred Iing Yoong; Zhang, Qichun","Surfactant-thermal syntheses, structures, and magnetic properties of mn-ge-sulfides/selenides.","Inorganic chemistry","2014","53","19","10248","10256","10.1021/ic501282d","","","0.71073","MoKα","","0.0571","0.0465","","","0.1265","0.1336","","","","","","1.026","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4342208","17.3619","0.0002","6.8895","0.0001","18.4882","0.0003","90","","102.457","0.001","90","","2159.4","0.05","223","2","223","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C35 H49 Cl5 F6 N7 O P Pt -","- C35 H49 Cl5 F6 N7 O P Pt -","- C70 H98 Cl10 F12 N14 O2 P2 Pt2 -","2","0.5","","Allampally, Naveen Kumar; Daniliuc, Constantin-Gabriel; Strassert, Cristian A.; De Cola, Luisa","Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.","Inorganic chemistry","2015","54","4","1588","1596","10.1021/ic5025636","","","0.71073","MoKα","","0.0276","0.0266","","","0.068","0.069","","","","","","1.056","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342386","7.9613","0.0003","8.248","0.0004","10.5309","0.0005","90","","100.861","0.001","90","","679.12","0.05","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Didysprosium heptagermanium zinc","","","- Dy2 Ge6 Zn0.5 -","- Dy2 Ge6 Zn0.5 -","- Dy8 Ge24 Zn2 -","4","1","","Solokha, Pavlo; De Negri, Serena; Proserpio, Davide M.; Blatov, Vladislav A.; Saccone, Adriana","Vacancy Ordering as a Driving Factor for Structural Changes in Ternary Germanides: The New R2Zn1-xGe6 Series of Polar Intermetallics (R = Rare-Earth Metal).","Inorganic chemistry","2015","54","5","2411","","10.1021/ic5030313","","","0.71073","MoKα","","0.0361","0.0268","","","0.0683","0.0742","","","","","","0.982","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342471","8.6921","0.0009","21.885","0.002","10.1779","0.0011","90","","92.318","0.002","90","","1934.5","0.3","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cr(CO)5(CNArDipp2)","","","- C21 H21 Cr0.5 F0.5 N0.5 O2.5 -","- C21 H21 Cr0.5 F0.5 N0.5 O2.5 -","- C84 H84 Cr2 F2 N2 O10 -","4","1","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0936","0.0689","","","0.1567","0.1717","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342893","8.2857","0.0003","18.0545","0.0007","8.6241","0.0003","90","","96.625","0.002","90","","1281.5","0.08","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Fe(CO)4(CNArMes2)","","- C29 H25 Fe N O4 -","- C29 H25 Fe N O4 -","- C58 H50 Fe2 N2 O8 -","2","0.5","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","0.71073","MoKα","","0.0374","0.0313","","","0.0722","0.0755","","","","","","1.073","","","","has coordinates","138140","2020-10-21","18:00:00",""
"4343256","9.187","","13.544","0.001","12.432","0.001","90","","95.747","0.002","90","","1539.12","0.17","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","tc75","","","- C15 H17.5 B F4 Fe0.5 N2.5 O2 -","- C15 H17.5 B F4 Fe0.5 N2.5 O2 -","- C60 H70 B4 F16 Fe2 N10 O8 -","4","1","","Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.","Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.","Inorganic chemistry","2015","54","12","5879","5887","10.1021/acs.inorgchem.5b00658","","","0.71073","MoKα","","0.0661","0.0486","","","0.114","0.1245","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343620","7.8783","0.0016","6.1369","0.0012","9.1836","0.0018","90","","113.07","0.03","90","","408.5","0.17","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba2 H O9 V3 -","- Ba2 H O9 V3 -","- Ba4 H2 O18 V6 -","2","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.","Inorganic chemistry","2015","54","14","7014","7020","10.1021/acs.inorgchem.5b01037","","","0.71073","MoKα","","0.0234","0.0231","","","0.0618","0.0621","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343621","7.6249","0.0015","6.0903","0.0012","8.8153","0.0018","90","","112.15","0.03","90","","379.15","0.15","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H O9 Sr2 V3 -","- H O9 Sr2 V3 -","- H2 O18 Sr4 V6 -","2","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.","Inorganic chemistry","2015","54","14","7014","7020","10.1021/acs.inorgchem.5b01037","","","0.71073","MoKα","","0.0281","0.0271","","","0.0704","0.0752","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343622","7.8709","0.0016","6.1841","0.0012","9.0589","0.0018","90","","112.33","0.03","90","","407.87","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ba2 H Mn O9 V2 -","- Ba2 H Mn O9 V2 -","- Ba4 H2 Mn2 O18 V4 -","2","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.","Inorganic chemistry","2015","54","14","7014","7020","10.1021/acs.inorgchem.5b01037","","","0.71073","MoKα","","0.0188","0.0175","","","0.0406","0.0413","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343623","7.875","0.0016","6.1425","0.0012","9.2052","0.0018","90","","113.19","0.03","90","","409.3","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ba2 Fe H O9 V2 -","- Ba2 Fe H O9 V2 -","- Ba4 Fe2 H2 O18 V4 -","2","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.","Inorganic chemistry","2015","54","14","7014","7020","10.1021/acs.inorgchem.5b01037","","","0.71073","MoKα","","0.018","0.0177","","","0.0427","0.0429","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343719","6.9725","","5.6713","","4.6653","","90","","107.702","","90","","175.746","","","","","","","","","","","","","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.; van Wuellen, L.; Jansen, M.","Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F)","Inorganic Chemistry","2001","40","","7040","7046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343720","7.116","","5.846","","4.8139","","90","","106.88","","90","","191.631","","","","","","","","","","","","","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.; van Wuellen, L.; Jansen, M.","Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F)","Inorganic Chemistry","2001","40","","7040","7046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343732","7.652","","37.21","","7.121","","90","","90.26","","90","","2027.55","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Sm5 Br11","","- Br11 Sm5 -","- Br11 Sm5 -","- Br44 Sm20 -","4","1","","Baernighausen, H.; Haschke, J.M.","Compositions and crystal structures of the intermediate phases in the samarium-bromine system","Inorganic Chemistry","1978","17","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","148431","2020-10-21","18:00:00",""
"4343800","10.328","","15.103","","7.756","","90","","124.1","","90","","1001.8","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","((N H3)4 Co (N H2) (N O2) Co (N H3)4) Cl4 (H2 O)4","","- Cl4 Co2 H34 N10 O6 -","- Cl4 Co2 H34 N10 O6 -","- Cl8 Co4 H68 N20 O12 -","2","0.5","","Thewalt, U.; Marsh, R.E.","The structure of mue-amido-mue-nitro bis(tetraamminecobalt(III)) tetrachloride tetrahydrate","Inorganic Chemistry","1970","9","","1604","1610","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4343887","6.6126","","7.4738","","14.034","","90","","102.98","","90","","675.856","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na Nb3 Te4 O16","","- Na Nb3 O16 Te4 -","- Na Nb3 O16 Te4 -","- Na2 Nb6 O32 Te8 -","2","0.5","","Ok, K.M.; Halasyamani, P.S.","Mixed-metal tellurites: synthesis, structure, and characterization of Na1.4 Nb3 Te4.9 O18 and Na Nb3 Te4 O16","Inorganic Chemistry","2005","44","","3919","3925","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343938","5.0969","","5.9359","","7.8451","","90","","107.97","","90","","225.773","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs Be H3","","- Be Cs H3 -","- Be Cs H3 -","- Be2 Cs2 H6 -","2","0.5","","Vajeeston, P.; Ravindran, P.; Fjellvag, H.","Structural phase stability stusdies on M Be H3 (M = Li, Na, K, Rb, Cs) from density functional calculations","Inorganic Chemistry","2008","47","","508","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344190","9.234","","11.309","","8.799","","90","","110.25","","90","","862.063","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Re3 I9","","- I9 Re3 -","- I9 Re3 -","- I18 Re6 -","2","0.5","","Bennett, M.J.; Cotton, F.A.; Foxman, B.M.","The Crystal and Molecular Structure of Trirhenium Nonaiodide","Inorganic Chemistry","1968","7","","1563","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","160792","2020-10-21","18:00:00",""
"4344210","6.224","","9.564","","10.643","","90","","92.65","","90","","632.861","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","As3 Se4 Sb F6","","- As3 F6 Sb Se4 -","- As3 F6 Sb Se4 -","- As6 F12 Sb2 Se8 -","2","0.5","","Christian, B.H.; Gillespie, R.J.; Sawyer, J.F.","Preparation, X-ray Crystal Structures, and Vibrational Spectra of Some Salts of the As3 S4(+) and As3 Se4(+) Cations","Inorganic Chemistry","1981","20","","3410","3420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344376","6.34321","","11.59703","","5.79244","","90","","113.329","","90","","391.27","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Bi Mo2 O7 (O H) (H2 O)2","","- Bi H5 Mo2 O10 -","- Bi Mo2 O10 -","- Bi2 Mo4 O20 -","2","0.5","","Hriljac, J.A.; Torardi, C.C.","Synthesis and structure of the novel layered oxide Bi Mo2 O7 O H . 2H2 O","Inorganic Chemistry","1993","32","","6003","6007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344582","7.4676","0.0013","12.1779","0.0013","9.3974","0.0017","90","","111.352","0.008","90","","795.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu5 K2 O19 S3 Te -","- Cu5 K2 O19 S3 Te -","- Cu10 K4 O38 S6 Te2 -","2","0.5","","Tang, Yingying; Guo, Wenbin; Xiang, Hongping; Zhang, Suyun; Yang, Ming; Cui, Meiyan; Wang, Nannan; He, Zhangzhen","Synthesis, Structure, and Magnetic Properties of A2Cu5(TeO3)(SO4)3(OH)4 (A = Na, K): The First Compounds with a 1D Kagomé Strip Lattice.","Inorganic chemistry","2016","55","2","644","648","10.1021/acs.inorgchem.5b01889","","","0.71073","MoKα","","0.0432","0.0354","","","0.0793","0.0852","","","","","","1.073","","","","has coordinates","175514","2020-10-21","18:00:00",""
"4344583","7.294","0.003","12.005","0.004","9.214","0.003","90","","111.16","0.006","90","","752.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu5 Na2 O19 S3 Te -","- Cu5 Na2 O19 S3 Te -","- Cu10 Na4 O38 S6 Te2 -","2","0.5","","Tang, Yingying; Guo, Wenbin; Xiang, Hongping; Zhang, Suyun; Yang, Ming; Cui, Meiyan; Wang, Nannan; He, Zhangzhen","Synthesis, Structure, and Magnetic Properties of A2Cu5(TeO3)(SO4)3(OH)4 (A = Na, K): The First Compounds with a 1D Kagomé Strip Lattice.","Inorganic chemistry","2016","55","2","644","648","10.1021/acs.inorgchem.5b01889","","","0.71073","MoKα","","0.0221","0.0204","","","0.0545","0.0555","","","","","","1.093","","","","has coordinates","175515","2020-10-21","18:00:00",""
"4344660","13.55643","0.00015","55.9218","0.0009","25.9826","0.0005","90","","91.3064","0.0012","90","","19692.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C166 H196 Br5 N18 Na5 O58 U5 -","- C166 H196 Br5 N18 Na5 O58 U5 -","- C664 H784 Br20 N72 Na20 O232 U20 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0805","0.0635","","","0.1115","0.1171","","","","","","1.139","","","","has coordinates,has disorder","175551","2020-10-21","18:00:00",""
"4344784","4.1103","0.0007","4.1662","0.0007","6.4641","0.0011","90","","108.605","0.012","90","","104.91","0.03","297","","297","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- D3.32 Ga2 Nd2 -","- D3.32 Ga2 Nd2 -","- D3.32 Ga2 Nd2 -","1","0.25","","Ångström, Jonas; Johansson, Robert; Sarkar, Tapati; Sørby, Magnus H; Zlotea, Claudia; Andersson, Mikael S.; Nordblad, Per; Scheicher, Ralph H.; Häussermann, Ulrich; Sahlberg, Martin","Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing Peierls-like Ga-H Chains.","Inorganic chemistry","2015","55","1","345","","10.1021/acs.inorgchem.5b02485","powder diffraction","","1.5539","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.6137","","","","","","","","has coordinates","175635","2020-10-21","18:00:00",""
"4344850","8.8328","0.0008","7.572","0.0008","11.472","0.001","90","","90.605","0.004","90","","767.23","0.13","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","poly-[(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)copper(II) trimolybdate(VI)]","","- C7 H9 Cu Mo3 N5 O10 -","- C7 H9 Cu Mo3 N5 O10 -","- C14 H18 Cu2 Mo6 N10 O20 -","2","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0447","0.0341","","","0.0689","0.0733","","","","","","1.055","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344872","6.9853","0.0009","20.315","0.003","13.5218","0.0019","90","","96.782","0.005","90","","1905.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H17 Ag N3 O4 P -","- C11 H17 Ag N3 O4 P -","- C44 H68 Ag4 N12 O16 P4 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71069","MoKα","","0.064","0.0617","","","0.1379","0.1387","","","","","","1.29","","","","has coordinates","177193","2020-10-21","18:00:00",""
"4345020","6.7097","0.0009","39.851","0.005","11.1171","0.0014","90","","101.426","0.0014","90","","2913.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Mg6 O67 U3 -","- Mg6 O67 U3 -","- Mg12 O134 U6 -","2","0.5","","Dembowski, Mateusz; Bernales, Varinia; Qiu, Jie; Hickam, Sarah; Gaspar, Gabriel; Gagliardi, Laura; Burns, Peter C.","Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes.","Inorganic chemistry","2017","56","3","1574","1580","10.1021/acs.inorgchem.6b02666","","","0.71073","MoKα","","0.0396","0.0321","","","0.0787","0.083","","","","","","1.061","","","","has coordinates","193442","2020-10-21","18:00:00",""
"4345281","10.1599","0.0003","12.6988","0.0004","13.4526","0.0004","90","","99.741","0.003","90","","1710.61","0.09","120","0.1","120","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H37 B12 Cl6.39 N3 -","- C14 H37 B12 Cl6.396 N3 -","- C28 H74 B24 Cl12.792 N6 -","2","0.5","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.0913","0.0868","","","0.205","0.2071","","","","","","1.177","","","","has coordinates,has disorder","194822","2020-10-21","18:00:00",""
"4345425","7.9664","0.0003","11.2735","0.0004","8.8911","0.0003","90","","110.165","0.0016","90","","749.56","0.05","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","5 H2O","","","- C13 H16 N O7 V -","- C13 H16 N O7 V -","- C26 H32 N2 O14 V2 -","2","0.5","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.0344","0.0313","","","0.0836","0.0852","","","","","","1.129","","","","has coordinates,has disorder","192967","2020-10-21","18:00:00",""
"4345950","10.3088","0.0006","42.585","0.002","12.0443","0.0007","90","","103.343","0.001","90","","5144.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H40.5 Cl4 Cu2 N17.5 O12 -","- C43 H40.5 Cl4.001 Cu2 N17.5 O12.004 -","- C172 H162 Cl16.004 Cu8 N70 O48.016 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0576","0.0494","","","0.116","0.1205","","","","","","1.099","","","","has coordinates,has disorder","198952","2020-10-21","18:00:00",""
"4346038","10.3134","0.0005","14.3792","0.0007","18.3407","0.0009","90","","90.571","0.001","90","","2719.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H6 O13 Re3 Sb -","- C19 H6 O13 Re3 Sb -","- C76 H24 O52 Re12 Sb4 -","4","1","","Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.","Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).","Inorganic chemistry","2015","54","7","3536","3544","10.1021/acs.inorgchem.5b00080","","","0.71073","MoKα","","0.0536","0.04","","","0.0933","0.1069","","","","","","1.213","","","","has coordinates","231589","2020-10-21","18:00:00",""
"4346461","10.2887","0.0005","14.9352","0.0006","11.8613","0.0005","90","","91.278","0.004","90","","1822.2","0.14","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C28 H58 Al2 Si4 -","- C28 H57.9999 Al2 Si4 -","- C56 H116 Al4 Si8 -","2","0.5","","Zhang, Yongliang; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Lithium Aluminate Complexes and Alumoles from 1,4-Dilithio-1,3-Butadienes and AlEt2Cl.","Inorganic chemistry","2015","54","22","10695","10700","10.1021/acs.inorgchem.5b01551","","","0.71073","MoKα","","0.0661","0.0425","","","0.0982","0.11","","","","","","1.009","","","","has coordinates,has disorder","231786","2020-10-21","18:00:00",""
"4346547","8.6228","0.0003","23.8083","0.0009","9.7696","0.0004","90","","112.438","0.0014","90","","1853.8","0.12","183","2","183.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H43 Fe Ni O P2 S2 -","- C42 H43 Fe Ni O P2 S2 -","- C84 H86 Fe2 Ni2 O2 P4 S4 -","2","0.5","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0386","0.0288","","","0.0676","0.0719","","","","","","1.037","","","","has coordinates,has disorder","231833","2020-10-21","18:00:00",""
"4346553","7.6236","0.0011","7.6281","0.0011","13.2227","0.0018","90","","104.094","0.004","90","","745.8","0.18","110","2","110","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[NMe4][TMS-S], 6","Tetramethylammonium-trimethylsilylthiolate aceonitrile solvate","","- C9 H24 N2 S Si -","- C9 H24 N2 S Si -","- C18 H48 N4 S2 Si2 -","2","0.5","","Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg","Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.","Inorganic chemistry","2015","54","19","9568","9575","10.1021/acs.inorgchem.5b01665","","","0.71073","MoKα","","0.1308","0.0784","","","0.1331","0.1505","","","","","","1.1","","","","has coordinates","231834","2020-10-21","18:00:00",""
"4346666","13.3558","0.0003","37.2399","0.0006","16.3799","0.0003","90","","98.649","0.002","90","","8054.2","0.3","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C168 H160 Cl2 Fe3 N30 Na3 O30 Sn3 -","- C168 H160 Cl2 Fe3 N30 Na3 O30 Sn3 -","- C336 H320 Cl4 Fe6 N60 Na6 O60 Sn6 -","2","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.089","0.0587","","","0.1199","0.1322","","","","","","1.047","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346784","8.6959","0.0012","12.9629","0.0017","17.039","0.002","90","","104.647","0.002","90","","1858.3","0.4","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C35 H62 B F4 N O2 Os P2 -","- C35 H62 B F4 N O2 Os P2 -","- C70 H124 B2 F8 N2 O4 Os2 P4 -","2","0.5","","Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oñate, Enrique; Sierra, Miguel A.","2-Azetidinones as Precursors of Pincer Ligands: Preparation, Structure, and Spectroscopic Properties of CC'N-Osmium Complexes.","Inorganic chemistry","2015","54","22","10998","11006","10.1021/acs.inorgchem.5b02138","","","0.71073","MoKα","","0.0366","0.0312","","","0.0738","0.0763","","","","","","1.071","","","","has coordinates,has disorder","231980","2020-10-21","18:00:00",""
"4346936","8.9251","0.0002","21.9202","0.0005","12.2706","0.0003","90","","93.815","0.001","90","","2395.3","0.1","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H88 Ni4 P4 S -","- C36 H88 Ni4 P4 S -","- C72 H176 Ni8 P8 S2 -","2","0.5","","Shoshani, Manar M.; Johnson, Samuel A.","Facile Deep and Ultradeep Hydrodesulfurization by the [((i)Pr3P)Ni]5H6 Cluster Compared to Mononuclear Ni Sources.","Inorganic chemistry","2015","54","24","11977","11985","10.1021/acs.inorgchem.5b02383","","","1.54178","CuKα","","0.0781","0.0585","","","0.1367","0.1483","","","","","","1.049","","","","has coordinates,has disorder","232074","2020-10-21","18:00:00",""
"4347385","7.6789","0.0002","13.7771","0.0004","8.708","0.0003","90","","107.606","0.003","90","","878.09","0.05","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 Cu2 N4 O12 S -","- C9 H18 Cu2 N4 O12 S -","- C18 H36 Cu4 N8 O24 S2 -","2","0.5","","Gómez-García, Carlos J; Escrivà, Emilio; Benmansour, Samia; Borràs-Almenar, Juan J; Folgado, José-Vicente; Ramírez de Arellano, Carmen","Alternating Ferro/Antiferromagnetic Copper(II) Chain Containing an Unprecedented Triple Formato/Hydroxido/Sulfato Bridge.","Inorganic chemistry","2016","55","5","2664","2671","10.1021/acs.inorgchem.6b00105","","","0.71073","MoKα","","0.0455","0.034","","","0.0756","0.0841","","","","","","1.035","","","","has coordinates,has disorder","232298","2020-10-21","18:00:00",""
"4347386","7.6724","0.0004","13.749","0.0005","8.71","0.0004","90","","107.531","0.003","90","","876.12","0.07","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 Cu2 N4 O12 S -","- C9 H18 Cu2 N4 O12 S -","- C18 H36 Cu4 N8 O24 S2 -","2","0.5","","Gómez-García, Carlos J; Escrivà, Emilio; Benmansour, Samia; Borràs-Almenar, Juan J; Folgado, José-Vicente; Ramírez de Arellano, Carmen","Alternating Ferro/Antiferromagnetic Copper(II) Chain Containing an Unprecedented Triple Formato/Hydroxido/Sulfato Bridge.","Inorganic chemistry","2016","55","5","2664","2671","10.1021/acs.inorgchem.6b00105","","","0.71073","MoKα","","0.0334","0.0285","","","0.0674","0.072","","","","","","1.049","","","","has coordinates,has disorder","232299","2020-10-21","18:00:00",""
"4347952","8.3513","0.0005","15.0623","0.0009","9.9039","0.0006","90","","112.981","0.003","90","","1146.94","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H19 Cl2 N6 O2 U -","- C18 H16 Cl2 N6 O2 U -","- C36 H32 Cl4 N12 O4 U2 -","2","0.5","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0314","0.0286","","","0.0764","0.0774","","","","","","1.107","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4348284","10.2433","0.0006","16.1714","0.001","12.1589","0.0007","90","","91.126","0.002","90","","2013.7","0.2","173","2","173","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C26 H50 Au3 Cl2 F3 N4 O3 P2 S2 -","- C26 H50 Au3 Cl2 F3 N4 O3 P2 S2 -","- C52 H100 Au6 Cl4 F6 N8 O6 P4 S4 -","2","0.5","","Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre","Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.","Inorganic chemistry","2016","55","17","8527","8542","10.1021/acs.inorgchem.6b01095","","","0.71073","MoKα","","0.0354","0.0253","","","0.0564","0.061","","","","","","1.031","","","","has coordinates","232863","2020-10-21","18:00:00",""
"4348286","10.3495","0.0005","16.4819","0.0009","11.6668","0.0005","90","","90.964","0.003","90","","1989.83","0.17","173","2","173","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C26 H49 Au3 Cl2 F3 N3 O3 P2 S2 -","- C26 H49 Au3 Cl2 F3 N3 O3 P2 S2 -","- C52 H98 Au6 Cl4 F6 N6 O6 P4 S4 -","2","0.5","","Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre","Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.","Inorganic chemistry","2016","55","17","8527","8542","10.1021/acs.inorgchem.6b01095","","","0.71073","MoKα","","0.0687","0.0431","","","0.1076","0.1484","","","","","","1.122","","","","has coordinates","232863","2020-10-21","18:00:00",""
"4348338","4.792","0.001","7.148","0.0014","10.058","0.002","90","","99.48","0.03","90","","339.81","0.12","348","2","348","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) acetate. polymorph beta","'Lead(II) acetate. beta polymorph '","","- C4 H6 O4 Pb -","- C4 H6 O4 Pb -","- C8 H12 O8 Pb2 -","2","0.5","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.7513","Synchrotron","","0.0863","0.0841","","","0.2297","0.2325","","","","","","1.188","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348349","14.2282","0.0008","6.5817","0.0004","16.178","0.0009","90","","115.259","0.005","90","","1370.15","0.15","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H16 Br4 N2 O7 U -","- C26 H14 Br4 N2 O7 U -","- C52 H28 Br8 N4 O14 U2 -","2","0.5","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0372","0.0279","","","0.0512","0.0543","","","","","","1.024","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348561","12.3325","0.0007","17.5209","0.001","13.345","0.0007","90","","92.571","0.001","90","","2880.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","[FeTFPPBr8(2-MeHIm)]","","","- C53 H16 Br8 Cl2 F20 Fe N6 O -","- C52.999 H16 Br8 Cl2.001 F20 Fe N6 O -","- C105.998 H32 Br16 Cl4.002 F40 Fe2 N12 O2 -","2","0.5","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.0697","0.0493","","","0.1081","0.1171","","","","","","1.054","","","","has coordinates,has disorder","233094","2020-10-21","18:00:00",""
"4348578","5.838","0.006","9.17","0.009","6.675","0.007","90","","113.359","0.011","90","","328.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 B F3 P -","- C3 H9 B F3 P -","- C6 H18 B2 F6 P2 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.1229","0.0974","","","0.2255","0.24","","","","","","1.01","","","","has coordinates","233124","2020-10-21","18:00:00",""
"4348647","14.0063","0.0015","21.093","0.002","14.0094","0.0015","90","","111.545","0.0009","90","","3849.7","0.7","298","2","298.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H35 N12 O66 P2 W18 -","- C24 H24 N12 O68 P2 W18 -","- C48 H48 N24 O136 P4 W36 -","2","0.5","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.0533","0.0403","","","0.1057","0.1158","","","","","","1.011","","","","has coordinates","233221","2020-10-21","18:00:00",""
"4348871","8.725","0.002","7.5076","0.0019","9.026","0.003","90","","112.421","0.007","90","","546.5","0.3","294","2","294","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C3 H8 Cl3 Fe K N O5 -","- C3 H6 Cl3 Fe K N O5 -","- C6 H12 Cl6 Fe2 K2 N2 O10 -","2","0.5","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0413","0.0391","","","0.1021","0.1038","","","","","","1.087","","","","has coordinates","233449","2020-10-21","18:00:00",""
"4348970","6.6944","0.0009","22.299","0.003","6.7115","0.0009","90","","119.107","0.008","90","","875.4","0.2","296","2","296.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B20 Ba4 Br2 O34 Rb4 -","- B20 Ba4 Br2 O34 Rb4 -","- B20 Ba4 Br2 O34 Rb4 -","1","0.25","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.0766","0.0672","","","0.1729","0.1802","","","","","","1.0259","","","","has coordinates","233518","2020-10-21","18:00:00",""
"4349363","11.843","0.003","22.139","0.005","14.179","0.003","90","","89.988","0.003","90","","3717.6","1.5","100","2","100","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C33 H55 B Cl F4 N O2 Os P2 -","- C33 H55 B Cl F4 N O2 Os P2 -","- C132 H220 B4 Cl4 F16 N4 O8 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","mer, fac, and Bidentate Coordination of an Alkyl-POP Ligand in the Chemistry of Nonclassical Osmium Hydrides.","Inorganic chemistry","2017","56","1","676","683","10.1021/acs.inorgchem.6b02837","","","0.71073","MoKα","","0.082","0.0521","","","0.1143","0.1289","","","","","","1.022","","","","has coordinates,has disorder","233900","2020-10-21","18:00:00",""
"4349660","8.2911","0.0014","8.3667","0.0014","8.3092","0.0014","90","","118.95","0.011","90","","504.38","0.16","405","2","405","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 I N -","- C6 H16 I N -","- C12 H32 I2 N2 -","2","0.5","","Piecha-Bisiorek, A.; Gągor, A.; Isakov, D.; Zieliński, P.; Gałązka, M.; Jakubas, R.","Phase sequence in diisopropylammonium iodide: avoided ferroelectricity by the appearance of a reconstructed phase","Inorganic Chemistry Frontiers","2017","4","3","553","","10.1039/C6QI00583G","","","0.7107","MoKα","","0.1129","0.0551","","","0.1411","0.1548","","","","","","0.808","","","","has coordinates","234958","2020-10-21","18:00:00",""
"4349696","6.3636","0.0002","7.2907","0.0002","11.9698","0.0003","90","","93.495","0.002","90","","554.31","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 Cl N W -","- C9 H14 Cl N W -","- C18 H28 Cl2 N2 W2 -","2","0.5","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0448","0.0375","","","0.0913","0.0944","","","","","","1.034","","","","has coordinates,has disorder","235747","2020-10-21","18:00:00",""
"4349735","9.4359","0.0006","6.7378","0.0004","10.5414","0.0005","90","","97.352","0.005","90","","664.68","0.07","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H11 Cl N2 O4 Pt S -","- C11 H11 Cl N2 O4 Pt S -","- C22 H22 Cl2 N4 O8 Pt2 S2 -","2","0.5","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71073","MoKα","","0.0429","0.0384","","","0.0814","0.0833","","","","","","1.103","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349782","5.048","0.003","14.368","0.008","8.111","0.004","90","","107.797","0.006","90","","560.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B Cs O11 P2 Zn4 -","- B Cs O11 P2 Zn4 -","- B2 Cs2 O22 P4 Zn8 -","2","0.5","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.026","0.022","","","0.0498","0.053","","","","","","1.024","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4350037","8.0243","0.0007","15.9984","0.0013","10.5134","0.0009","90","","111.481","0.002","90","","1255.92","0.19","223","2","223","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H40 Co2 S2 -","- C24 H40 Co2 S2 -","- C48 H80 Co4 S4 -","2","0.5","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0559","0.0486","","","0.131","0.1338","","","","","","1.19","","","","has coordinates,has disorder","237955","2020-10-21","18:00:00",""
"4350274","6.3113","0.0008","9.898","0.0013","7.438","0.0009","90","","109.871","0.014","90","","436.98","0.1","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H4 I2 N2 Zn -","- C4 H4 I2 N2 Zn -","- C8 H8 I4 N4 Zn2 -","2","0.5","","Bhosekar, Gaurav; Jess, Inke; Näther, Christian","On the preparation of coordination polymers by controlled thermal decomposition: synthesis, crystal structures, and thermal properties of zinc halide pyrazine coordination compounds.","Inorganic chemistry","2006","45","16","6508","6515","10.1021/ic060298f","","","0.71073","MoKα","","0.0416","0.0357","","","0.0933","0.0956","","","","","","1.116","","","","has coordinates","239821","2020-10-21","18:00:00",""
"4350693","6.9949","0.0002","14.8441","0.0005","7.0265","0.0002","90","","100.702","0.001","90","","716.89","0.04","123","","123","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H15 Br N4 -","- C15 H15 Br N4 -","- C30 H30 Br2 N8 -","2","0.5","","Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.","Inorganic chemistry","2014","53","24","12767","12777","10.1021/ic5016324","","x-ray","0.71073","MoKα","","0.0178","0.0171","","","0.0422","0.0426","","","","","","1.082","","","","has coordinates","239988","2020-10-21","18:00:00",""
"4350756","7.8023","0.0002","14.4839","0.0004","12.0669","0.0003","90","","101.659","0.002","90","","1335.52","0.06","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 O2 P2 Pd -","- C26 H38 O2 P2 Pd -","- C52 H76 O4 P4 Pd2 -","2","0.5","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0318","0.0273","","","0.0693","0.072","","","","","","1.055","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4500217","15.56795","0.00016","7.26249","0.00005","4.80093","0.00004","90","","96.9765","0.0007","90","","538.784","0.008","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) butyrate","Lead(II) butanoate","","- C8 H14 O4 Pb -","- C8 H14 O4 Pb -","- C16 H28 O8 Pb2 -","2","0.5","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","powder diffraction","","0.8266","","","","","","","","","","4.7202","1.86","","","","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500454","4.0818","0.0003","31.856","0.002","6.8","0.004","90","","94.378","0.003","90","","881.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N2 O12 Sr -","- C14 H16 N2 O12 Sr -","- C28 H32 N4 O24 Sr2 -","2","0.5","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0976","0.0721","","","0.1605","0.1727","","","","","","1.172","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500490","10.0134","0.0002","6.5861","0.0002","11.4842","0.0003","90","","90.144","0.002","90","","757.37","0.03","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cu-Nitroisophthalate","","","- C9 H5 Cu2 N5 O10 -","- C9 H4 Cu2 N5 O10 -","- C18 H8 Cu4 N10 O20 -","2","0.5","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.0596","0.0505","","","0.1233","0.1254","","","","","","1.237","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500536","6.7652","0.0014","7.4345","0.0015","14.424","0.003","90","","100.63","0.03","90","","713","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H15 Cl5 N2 O Re -","- C5 H15 Cl5 N2 O Re -","- C10 H30 Cl10 N4 O2 Re2 -","2","0.5","","Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni","Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds","Crystal Growth & Design","2011","11","5","1733","","10.1021/cg101658a","","","0.71073","MoKα","","0.0433","0.0421","","","0.1217","0.1226","","","","","","1.081","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500704","8.5409","0.0006","19.1605","0.0013","11.3037","0.0008","90","","110.327","0.001","90","","1734.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C18 H26 F N O19 P4 U3 -","- C17.67 H25.85 F N O19 P4 U3 -","- C35.34 H51.7 F2 N2 O38 P8 U6 -","2","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds","Crystal Growth & Design","2011","11","5","1966","","10.1021/cg200129g","","","0.71073","MoKα","","0.023","0.0185","","","0.0404","0.0417","","","","","","1.054","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4501002","5.3613","0.0013","15.321","0.004","11.904","0.003","90","","101.207","0.002","90","","959.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H3 F2 I N O -","- C9 H3 F2 I N O -","- C36 H12 F8 I4 N4 O4 -","4","1","","Ji, Baoming; Wang, Weizhou; Deng, Dongsheng; Zhang, Yu","Symmetrical Bifurcated Halogen Bond: Design and Synthesis","Crystal Growth & Design","2011","11","8","3622","","10.1021/cg200603z","","","0.71073","MoKα","","0.0376","0.0267","","","0.0659","0.0732","","","","","","1.008","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501268","6.3778","0.0013","25.714","0.005","6.5647","0.0013","90","","110.23","0.03","90","","1010.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,3-adamantanedicarboxylic acid E-1,2-di(pyridine-4yl)diazene","","- C22 H23 N4 O4 -","- C22 H23 N4 O4 -","- C44 H46 N8 O8 -","2","0.5","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.1563","0.0766","","","0.1857","0.2143","","","","","","1.022","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501571","10.1103","0.0009","26.854","0.003","13.3316","0.0012","90","","107.234","0.002","90","","3457","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Nickel-bipyridylethane-isophthalate","","","- C60 H64 N6 Ni3 O20 -","- C60 H64 N6 Ni3 O20 -","- C120 H128 N12 Ni6 O40 -","2","0.5","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.1379","0.0848","","","0.2414","0.2767","","","","","","0.927","","","","has coordinates,has disorder","179546","2020-10-21","18:00:00",""
"4501824","8.8485","0.0002","22.9558","0.0005","21.9893","0.0004","90","","92.028","0.001","90","","4463.77","0.16","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/m 1","-P 2yb","11","","","","- C66 H104 Cl6 F8 I4 N12 O9 -","- C66 H105 Cl6 F8 I4 N12 O9 -","- C132 H210 Cl12 F16 I8 N24 O18 -","2","0.5","","Raatikainen, Kari; Rissanen, Kari","Modulation of N···I and+N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes","Crystal Growth & Design","2010","10","8","3638","","10.1021/cg100516t","","x-ray","0.71073","MoKα","","0.0595","0.0438","","","0.1123","0.1258","","","","","","1.056","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501850","7.2752","0.0004","25.5175","0.0012","8.6962","0.0004","90","","102.921","0.001","90","","1573.53","0.14","210","2","210","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H30 F3 I3 N6 -","- C27 H30 F3 I3 N6 -","- C54 H60 F6 I6 N12 -","2","0.5","","Roper, Laila C.; Präsang, Carsten; Kozhevnikov, Valery N.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Experimental and Theoretical Study of Halogen-Bonded Complexes of DMAP with Di- and Triiodofluorobenzenes. A Complex with a Very Short N···I Halogen Bond","Crystal Growth & Design","2010","10","8","3710","","10.1021/cg100549u","","","0.71073","MoKα","","0.0321","0.0231","","","0.0521","0.0557","","","","","","1.058","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4502189","7.948","0.0016","19.681","0.004","20.365","0.004","90","","100.02","0.03","90","","3137","1.1","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C24 H38 Ag10 I12 N4 Ni O6 -","- C24 H38 Ag10 I12 N4 Ni O6 -","- C48 H76 Ag20 I24 N8 Ni2 O12 -","2","0.5","","Li, Hao-Hong; Chen, Zhi-Rong; Sun, Ling-Guo; Lian, Zhao-Xun; Chen, Xiao-Bo; Li, Jun-Bo; Li, Jun-Qian","Two Iodoargentate Hybrid Coordination Polymers Induced by Transition-Metal Complexes: Structures and Properties","Crystal Growth & Design","2010","10","3","1068","","10.1021/cg900476m","","","0.71073","MoKα","","0.081","0.0743","","","0.1929","0.1972","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502736","7.2175","0.001","17.536","0.002","7.963","0.001","90","","96.224","0.01","90","","1001.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H29 Cu2 N3 O14 -","- C10 H17 Cu2 N3 O14 -","- C20 H34 Cu4 N6 O28 -","2","0.5","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","","0.71073","MoKα","","0.0758","0.0515","","","0.1167","0.125","","","","","","1.077","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502897","16.3714","0.0018","6.4132","0.0007","18.82","0.002","90","","109.452","0.003","90","","1863.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 Ag Cl N2 O9 -","- C16 H16 Ag Cl N2 O9 -","- C64 H64 Ag4 Cl4 N8 O36 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0817","0.0654","","","0.1534","0.1629","","","","","","1.054","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4503076","15.061","0.004","19.05","0.005","18.765","0.005","90","","106.909","0.004","90","","5151","2","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C44 H60 Cu2 N8 O82.5 V2 W18 Y -","- C44 H32 Cu2 N8 O82.5 V2 W18 Y -","- C88 H64 Cu4 N16 O165 V4 W36 Y2 -","2","0.5","","Wang, Jingping; Li, Suzhi; Shen, Yue; Niu, Jingyang","Novel Tungstovanadate Wells−Dawson Organic‒Inorganic Heteropolyoxometalate Compound: Synthesis and Crystal Structure of [Cu2(2,2′-bipy)2(Inic)2(H2O)2][Y(Inic)2(H2O)5]H3[V2W18O62]·5.5H2O (Where 2,2′-bipy = 2,2′-Bipyridine, Inic = γ-Picolinic Acid)","Crystal Growth & Design","2008","8","2","372","","10.1021/cg070234v","","","0.71073","MoKα","","0.0728","0.0465","","","0.1138","0.1254","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503095","4.237","0.001","15.905","0.003","8.414","0.001","90","","92.02","0.01","90","","566.66","0.18","295","","295","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,6-bis(ethynyl)pyrazabole","","- C10 H10 B2 N4 -","- C10 H10 B2 N4 -","- C20 H20 B4 N8 -","2","0.5","","Cavero, Emma; Giménez, Raquel; Uriel, Santiago; Beltrán, Eduardo; Serrano, José Luis; Alkorta, Ibon; Elguero, José","The Boat Conformation in Pyrazaboles. A Theoretical and Experimental Study†","Crystal Growth & Design","2008","8","3","838","","10.1021/cg0702939","","","0.71073","MoKα","","0.0655","0.0414","","","0.0952","0.1091","","","","","","1.032","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503360","7.4909","0.0009","14.0406","0.0017","7.7846","0.0009","90","","99.963","0.002","90","","806.41","0.17","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Cu H10 Na3 O17 S4 Zn2 -","- Cu H8 Na3 O17 S4 Zn2 -","- Cu2 H16 Na6 O34 S8 Zn4 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0367","0.0332","","","0.0764","0.0778","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503361","7.5101","0.0008","14.139","0.0015","7.7786","0.0008","90","","100.225","0.002","90","","812.86","0.15","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Co2 Cu H10 Na3 O17 S4 -","- Co2 Cu H8 Na3 O17 S4 -","- Co4 Cu2 H16 Na6 O34 S8 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0468","0.0419","","","0.0922","0.0945","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503523","5.8446","0.0003","19.1888","0.0012","6.8849","0.0004","90","","102.164","0.004","90","","754.81","0.08","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H6 N2 O15 U2 -","- C8 H2 N2 O15 U2 -","- C16 H4 N4 O30 U4 -","2","0.5","","Masci, Bernardo; Thuéry, Pierre","Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks","Crystal Growth & Design","2008","8","5","1689","","10.1021/cg701246j","","","0.71073","MoKα","","0.0298","0.0261","","","0.0678","0.0691","","","","","","1.087","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4504067","8.9541","0.0009","8.0375","0.0008","9.6548","0.0009","90","","116.416","0.002","90","","622.29","0.11","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1-sec-butyl-3-methylimidazolium hexafluorophosphate","","","- C8 H15 F6 N2 P -","- C8 H15 F5.96 N2 P -","- C16 H30 F11.92 N4 P2 -","2","0.5","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.0833","0.0738","","","0.2147","0.2261","","","","","","1.108","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504068","8.139","0.0008","8.4796","0.0008","9.1333","0.0009","90","","103.697","0.002","90","","612.41","0.1","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1-tert-butyl-3-methylimidazolium hexafluorophosphate","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","0.5","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.0536","0.0431","","","0.1166","0.1232","","","","","","1.057","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504184","9.5464","0.0007","17.0621","0.0011","14.0941","0.001","90","","105.456","0.001","90","","2212.6","0.3","150","","150","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C40 H44 Cu2 F8 N8 O4 V2 -","- C40 H44 Cu2 F8 N8 O4 V2 -","- C80 H88 Cu4 F16 N16 O8 V4 -","2","0.5","","Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.; Norquist, Alexander J.","Effects of Reaction Gel Dehydration on the Synthesis of Cu(NC5H5)4VOF4and [Cu(NC5H5)4VOF4][Cu(NC5H5)4(H2O)VOF4]·H2O","Crystal Growth & Design","2007","7","5","956","","10.1021/cg0609062","","","0.71073","MoKα","","0.0624","0.0335","","0.0818","0.0764","0.0764","","","","","","0.8623","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504332","10.34","0.0012","19.931","0.002","10.3723","0.0012","90","","119.813","0.001","90","","1854.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C4 H8 N20 Zn2 -","- C4 H8 N20 Zn2 -","- C16 H32 N80 Zn8 -","4","1","","Wang, Xian−Wen; Chen, Jing-Zhong; Liu, Jian-Hong","Photoluminescent Zn(II) Metal−Organic Frameworks Built from Tetrazole Ligand: 2D Four-Connected Regular Honeycomb (4363)-net","Crystal Growth & Design","2007","7","7","1227","","10.1021/cg070330w","","","0.71073","MoKα","","0.0683","0.0543","","","0.1584","0.1632","","","","","","1.069","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504975","6.947","0.002","6.246","0.002","10.76","0.003","90","","104.23","0.02","90","","452.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4,4'-dimethylazoxyfurazan","3-methyl-4-[(E)-(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole","","- C6 H6 N6 O3 -","- C6 H6 N6 O3 -","- C12 H12 N12 O6 -","2","0.5","","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Computer Simulation of Crystal Structure for Three Furazan Derivatives","Crystal Growth & Design","2005","5","2","631","","10.1021/cg049717e","","","0.71073","MoKα","","0.0748","0.0442","","","0.1261","0.1328","","","","","","0.984","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504976","6.977","0.0014","6.154","0.0012","10.515","0.002","90","","108.49","0.03","90","","428.17","0.16","160","2","160","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4,4'-Dichloroazoxyfurazan","3-chloro-4-[(E)-(4-chloro-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole","","- C4 Cl2 N6 O3 -","- C4 Cl2 N6 O3 -","- C8 Cl4 N12 O6 -","2","0.5","","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Computer Simulation of Crystal Structure for Three Furazan Derivatives","Crystal Growth & Design","2005","5","2","631","","10.1021/cg049717e","","","0.71073","MoKα","","0.0561","0.0416","","","0.1204","0.1237","","","","","","1.029","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4505312","5.6414","0.0004","10.0737","0.0007","8.6069","0.0006","90","","96.624","0.004","90","","485.86","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H16 N2 O2 -","- C10 H17 N2 O2 -","- C20 H34 N4 O4 -","2","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0715","0.0485","","","0.0992","0.1071","","","","","","1.032","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505544","11.043","0.0009","20.5133","0.0016","11.2959","0.0009","90","","98.551","0.001","90","","2530.4","0.3","188","2","188","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","sodium magnesium iron(4) di-HPDTA diacetate","","","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.0817","0.0737","","","0.2401","0.2494","","","","","","1.054","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505546","11.0473","0.0011","20.418","0.002","11.7437","0.0012","90","","100.614","0.001","90","","2603.6","0.5","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","sodium iron(4) dioxo di-HPDTA diacetate","","","- C52 H64 Fe8 N8 Na5 O80 -","- C52 H64 Fe8 N8 Na5 O80 -","- C52 H64 Fe8 N8 Na5 O80 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1034","0.0717","","","0.1981","0.2197","","","","","","1.054","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505548","11.0751","0.0017","20.51","0.003","11.2452","0.0017","90","","99.297","0.002","90","","2520.8","0.7","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","zinc iron(4) di-HPDTA diacetate","","","- C52 H68 Fe8 N8 O69 Zn2 -","- C52 H68 Fe8 N8 O69 Zn2 -","- C52 H68 Fe8 N8 O69 Zn2 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1044","0.0859","","","0.2703","0.2905","","","","","","1.081","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505843","6.499","0.003","12.666","0.004","7.348","0.003","90","","115.94","0.03","90","","543.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","fac-(diethylenetriamine)tricyanocobalt(III)","","- C7 H13 Co N6 -","- C7 H13 Co N6 -","- C14 H26 Co2 N12 -","2","0.5","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0406","0.0257","","0.07","","0.0657","","","1.053","","","1.106","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505851","3.719","0.003","12.62","0.01","8.8","0.006","90","","97.63","0.02","90","","409.4","0.5","298","","298","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 S -","- C6 H4 Cl2 Cu N2 S -","- C12 H8 Cl4 Cu2 N4 S2 -","2","0.5","","Papaefstathiou, Giannis S.; Tsohos, Alexandros; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Gatteschi, Dante; Perlepes, Spyros P.","Crystal Engineering: Stacking Interactions Control the Crystal Structures of Benzothiadiazole (btd) and Its Complexes with Copper(II) and Copper(I) Chlorides","Crystal Growth & Design","2001","1","3","191","","10.1021/cg010284e","","","0.71073","MoKα","","0.0531","0.051","","0.1326","0.128","","","","1.053","1.054","1.054","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4506538","9.9961","0.00029","8.762","0.00029","13.6435","0.0005","90","0.005","108.112","0.005","90","0.005","1135.77","0.07","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H29 F6 I2 N2 P -","- C14 H29 F6 I2 N2 P -","- C28 H58 F12 I4 N4 P2 -","2","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0916","0.0488","","","0.1123","0.1334","","","","","","1.023","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4507101","6.3558","0.0012","20.655","0.004","7.8807","0.0014","90","","92.286","0.002","90","","1033.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Ag2 O14 P4 U -","- C12 H12 Ag2 O14 P4 U -","- C24 H24 Ag4 O28 P8 U2 -","2","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.0235","0.0204","","","0.0413","0.0426","","","","","","1.053","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507244","8.2688","0.0003","6.3458","0.0002","12.8427","0.0004","90","","106.785","0.0007","90","","645.17","0.04","90","1","90","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 N7 O2 -","- C12 H15 N7 O2 -","- C24 H30 N14 O4 -","2","0.5","","Jarzembska, Katarzyna N.; Goral, Anna M.; Gajda, Roman; Dominiak, Paulina M.","Hoogsteen‒Watson‒Crick 9-Methyladenine:1-Methylthymine Complex: Charge Density Study in the Context of Crystal Engineering and Nucleic Acid Base Pairing","Crystal Growth & Design","2013","13","1","239","","10.1021/cg301393e","","","0.71073","MoKα","","0.0151","0.0151","","","0.0207","0.0207","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507410","12.4017","0.0006","15.577","0.0013","20.0534","0.0017","90","0.008","104.298","0.006","90","0.003","3753.9","0.5","110","2","110","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C48 H24 Cd3 Cl2 N4 O9 -","- C48 H24 Cd3 Cl2 N4 O9 -","- C96 H48 Cd6 Cl4 N8 O18 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.196","0.1215","","","0.31","0.3419","","","","","","1.015","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507443","10.4014","0.0002","16.5049","0.0003","12.6499","0.0002","90","","92.9894","0.0017","90","","2168.7","0.07","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H44 Cu5 I3 N8 S4 W -","- C28 H44 Cu5 I3 N8 S4 W -","- C56 H88 Cu10 I6 N16 S8 W2 -","2","0.5","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","1.54178","CuKα","","0.0398","0.0351","","","0.0942","0.0978","","","","","","1.009","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4508452","7.5683","0.0008","15.1093","0.0008","9.1624","0.0006","90","","104.419","0.009","90","","1014.73","0.14","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 La N9 O11 -","- C14 H14 La N9 O11 -","- C28 H28 La2 N18 O22 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0312","0.0279","","","0.06","0.0618","","","","","","1.047","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508453","7.5429","0.0005","15.1009","0.0008","9.1529","0.0005","90","","104.527","0.006","90","","1009.23","0.11","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 Ce N9 O11 -","- C14 H14 Ce N9 O11 -","- C28 H28 Ce2 N18 O22 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0332","0.0293","","","0.0597","0.0618","","","","","","1.018","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4509283","11.2911","0.0005","14.2734","0.001","17.7435","0.0012","90","","97.141","0.004","90","","2837.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H54 K2 N20 O37 U4 -","- C32 H40 K2 N20 O37 U4 -","- C64 H80 K4 N40 O74 U8 -","2","0.5","","Thuéry, Pierre","Uranyl Ion Complexes with Cucurbit[5]uril: from Molecular Capsules to Uranyl-Organic Frameworks","Crystal Growth & Design","2009","9","2","1208","1215","10.1021/cg8011603","","","0.71073","MoKα","","0.0506","0.0285","","","0.064","0.0699","","","","","","1.034","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509394","7.7022","0.0014","15.578","0.003","10.475","0.002","90","","111.553","0.002","90","","1169","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H10 Cl2 N6 O2 Zn -","- C14 H10 Cl2 N6 O2 Zn -","- C28 H20 Cl4 N12 O4 Zn2 -","2","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Microporous Nanotubular Self-Assembly of a Molecular Chair","Crystal Growth & Design","2009","9","7","2979","","10.1021/cg8013859","","","0.71073","MoKα","","0.0482","0.0419","","","0.1312","0.1365","","","","","","1.009","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509510","9.923","0.002","20.399","0.004","10.364","0.002","90","","97.15","0.03","90","","2081.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,4'-bipyrazolium iodate(V), 3:1:1 adduct with iodic acid and water","","- C18 H26 I8 N12 O26 -","- C18 H26 I8 N12 O26 -","- C36 H52 I16 N24 O52 -","2","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0424","0.0257","","","0.0666","0.0713","","","","","","1.059","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509552","6.505","0.002","16.128","0.005","13.913","0.004","90","","91.58","0.03","90","","1459.1","0.8","100","2","100","2","","","","","","","see text","7","P 1 21/m 1","-P 2yb","11","","","","- C18 H40 Cu I3 N9 O P3 -","- C18 H40 Cu I3 N9 O P3 -","- C36 H80 Cu2 I6 N18 O2 P6 -","2","0.5","","Jaremko, Łukasz; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Engineering Coordination and Supramolecular Copper−Organic Networks by Aqueous Medium Self-Assembly with 1,3,5-Triaza-7-phosphaadamantane (PTA)","Crystal Growth & Design","2009","9","7","3006","","10.1021/cg900334w","","","0.71073","MoKα","","0.0877","0.0331","","","0.0511","0.0557","","","","","","0.817","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509713","14.8754","0.0002","42.7788","0.0009","17.769","0.0002","90","","97.073","0.001","90","","11221.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C344 H439 Cl Gd0.67 N8 O138 P8 S16 -","- C344 H292 Cl Gd0.66 N8 O137.96 P8 S16 -","- C344 H292 Cl Gd0.66 N8 O137.96 P8 S16 -","1","0.25","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Constructing Multicomponent Materials Containing Cavitands, and Phosphonium and Imidazolium Cations","Crystal Growth & Design","2009","9","10","4497","","10.1021/cg900710c","","","1.54178","CuKα","","0.2164","0.1415","","","0.3404","0.3682","","","","","","1.138","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509740","14.198","0.003","6.8688","0.0017","17.257","0.004","90","","104.89","0.007","90","","1626.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C37 H32 N2 O7 -","- C27 H16 N2 O7 -","- C54 H32 N4 O14 -","2","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1185","0.0738","","","0.1957","0.2114","","","","","","1.121","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509741","14.183","0.005","6.875","0.003","17.212","0.006","90","","104.955","0.01","90","","1621.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C37 H32 N2 O7 -","- C27 H16 N2 O7 -","- C54 H32 N4 O14 -","2","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1296","0.0766","","","0.1854","0.2118","","","","","","0.962","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509803","5.189","0.001","12.98","0.001","10.493","0.001","90","","93.589","0.002","90","","705.35","0.16","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.0298","0.0252","","","0.065","0.0681","","","","","","1.092","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509882","4.941","0.0002","18.7803","0.0005","11.2062","0.0004","90","","97.223","0.003","90","","1031.61","0.06","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","5-Methyl-1,3-benzenediol-diethyl N,N'-(1,3-phenylene) dioxalamate complex","","- C21 H24 N2 O8 -","- C21 H24 N2 O8 -","- C42 H48 N4 O16 -","2","0.5","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.54184","CuKα","","0.0537","0.042","","","0.1085","0.1181","","","","","","1.039","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509982","6.434","0.004","15.763","0.002","8.963","0.004","90","","100.968","0.018","90","","892.4","0.7","291","2","291","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 Ag F6 N5 P S -","- C12 H11 Ag F6 N5 P S -","- C24 H22 Ag2 F12 N10 P2 S2 -","2","0.5","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0653","0.0516","","","0.1427","0.1537","","","","","","1.058","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510143","11.9107","0.0004","12.2273","0.0004","21.0371","0.0006","90","","97.434","0.002","90","","3038","0.17","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H59 Cu10 I10 N S7 -","- C30 H59 Cu10 I10 N S7 -","- C60 H118 Cu20 I20 N2 S14 -","2","0.5","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0686","0.0545","","","0.1428","0.1531","","","","","","1.14","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510361","8.663","0.0017","6.5838","0.0013","9.0253","0.0018","90","","116.56","0.03","90","","460.4","0.2","123","1","123","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(Me4N)(dcnm)","Tetramethylammonium dicyanonitrosomethanide","","- C7 H12 N4 O -","- C7 H13 N4 O -","- C14 H26 N8 O2 -","2","0.5","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0858","0.0691","","","0.1782","0.1954","","","","","","1.14","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510399","8.6087","0.0006","17.1155","0.0017","12.3063","0.0012","90","","107.67","0.006","90","","1727.7","0.3","150","1","150","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Br-Cl12BsubPc benzene solvate","Bromido(dodecachlorosubphthalocyaninato)boron(III)(benzene)","","- C30 H6 B Br Cl12 N6 -","- C30 H6 B Br Cl12 N6 -","- C60 H12 B2 Br2 Cl24 N12 -","2","0.5","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1152","0.052","","","0.1017","0.1234","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510402","8.5071","0.0004","16.7281","0.0004","12.8155","0.0006","90","","106.602","0.0016","90","","1747.72","0.12","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cl-Cl12BsubPc toluene solvate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)(toluene)","","- C31 H8 B Cl13 N6 -","- C31 H8 B Cl13 N6 -","- C62 H16 B2 Cl26 N12 -","2","0.5","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0713","0.0422","","","0.0969","0.1137","","","","","","1.045","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4511527","9.5269","0.0007","6.4027","0.0005","10.5813","0.0008","90","","99.913","0.001","90","","635.8","0.08","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H13 Cl Cu N2 O3 -","- C12 H13 Cl Cu N2 O3 -","- C24 H26 Cl2 Cu2 N4 O6 -","2","0.5","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0367","0.034","","","0.0824","0.084","","","","","","1.099","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511528","9.5793","0.0008","6.404","0.0005","10.7646","0.0009","90","","100.534","0.001","90","","649.23","0.09","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H13 Br Cu N2 O3 -","- C12 H13 Br Cu N2 O3 -","- C24 H26 Br2 Cu2 N4 O6 -","2","0.5","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0334","0.0285","","","0.0695","0.0722","","","","","","1.061","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511650","10.2527","0.0012","18.973","0.002","16.977","0.002","90","","100.46","0.002","90","","3247.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H26 Cu2 N3 O10.5 -","- C32.25 H12 Cu2 N3 O10.5 -","- C129 H48 Cu8 N12 O42 -","4","1","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1611","0.0841","","","0.1967","0.2386","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511919","7.8208","0.0012","29.207","0.005","9.9899","0.0015","90","","100.114","0.002","90","","2246.5","0.6","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpy, acetonitrile","C-methylresorcinol[4]arene, 4,4'-bipyridine, acetonitrile","","- C54 H51 N5 O8 -","- C54 H51 N5 O8 -","- C108 H102 N10 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0951","0.0495","","","0.1058","0.1228","","","","","","1.021","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511920","10.051","0.002","25.409","0.005","11.661","0.002","90","","91.889","0.002","90","","2976.4","1","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpe, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C64 H64 N8 O8 -","- C64 H52 N8 O8 -","- C128 H104 N16 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.117","0.0846","","","0.2357","0.2535","","","","","","1.138","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511922","10.129","0.0018","25.369","0.004","11.478","0.002","90","","91.57","0.002","90","","2948.3","0.9","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpa, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, acetonitrile","","- C66 H63 N9 O8 -","- C66 H58 N9 O8 -","- C132 H116 N18 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1028","0.0644","","","0.1723","0.2004","","","","","","1.032","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4512198","9.6487","0.0015","16.249","0.003","14.644","0.002","90","","101.272","0.002","90","","2251.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 Mn N2 O15 P3 U2 -","- C13 H9 Mn N2 O15 P3 U2 -","- C52 H36 Mn4 N8 O60 P12 U8 -","4","1","","Adelani, Pius O.; Cook, Nathaniel D.; Burns, Peter C.","Use of 2,2-Bipyrimidine for the Preparation of UO22±3d Diphosphonates","Crystal Growth & Design","2014","14","11","5692","","10.1021/cg500972w","","","0.71073","MoKα","","0.0334","0.0227","","","0.0549","0.0595","","","","","","1.182","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4513053","10.62","0.007","22.401","0.014","10.652","0.007","90","","92.62","0.009","90","","2531","3","90","2","90","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","C70 . 2 C6H2Br4 . CS2","","","- C83 H4 Br8 S2 -","- C83 H4 Br8 S2 -","- C166 H8 Br16 S4 -","2","0.5","","Ghiassi, Kamran B.; Wescott, Joseph; Chen, Susanne Y.; Balch, Alan L.; Olmstead, Marilyn M.","Waves of Halogen‒Halogen Bond Formation in the Cocrystallization of Hexabromobenzene and 1,2,4,5-Tetrabromobenzene with C70","Crystal Growth & Design","2015","15","5","2480","","10.1021/acs.cgd.5b00256","","","0.71073","MoKα","","0.0646","0.0524","","","0.1306","0.1367","","","","","","1.076","","","","has coordinates","137766","2020-10-21","18:00:00",""
"4513489","9.8361","0.0008","7.3181","0.0007","10.8209","0.0008","90","","107.138","0.003","90","","744.32","0.11","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H14 N2 O8 Zn -","- C11 H14 N2 O8 Zn -","- C22 H28 N4 O16 Zn2 -","2","0.5","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0467","0.0411","","","0.1076","0.1108","","","","","","1.15","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513598","7.7347","0.0007","8.094","0.0008","8.6976","0.0008","90","","103.683","0.003","90","","529.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 100K","Pyrrolidine hexahydrate - low temperature phase at 100K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0553","0.0488","","","0.144","0.1525","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513599","7.7773","0.0012","8.1088","0.0012","8.6962","0.0013","90","","103.605","0.004","90","","533.03","0.14","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 150K","Pyrrolidine hexahydrate - low temperature phase at 150K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0472","0.0434","","","0.1149","0.1184","","","","","","1.186","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513600","7.8605","0.0009","8.1447","0.0008","8.6837","0.001","90","","103.559","0.004","90","","540.45","0.1","190","2","190","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 190K","Pyrrolidine hexahydrate - low temperature phase at 190K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0627","0.0556","","","0.1543","0.1641","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513788","8.7314","0.0003","6.6582","0.0003","8.8996","0.0004","90","","98.546","0.002","90","","511.64","0.04","270","2","270","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1:1 theophylline formamide cocrystal Form I","1,3-dimethyl-7H-purine-2,6-dione methanamide complex","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C16 H22 N10 O6 -","2","0.5","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","","","0.71073","MoKα","","0.1169","0.0536","","","0.1319","0.1622","","","","","","0.996","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513829","5.684","0.003","8.567","0.0006","6.8598","0.0008","90","","107.97","0.03","90","","317.74","0.18","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","","0.71073","MoKα","","0.0414","0.0335","","","0.0855","0.0907","","","","","","1.082","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513830","5.521","0.012","8.3045","0.0005","6.716","0.002","90","","107.89","0.11","90","","293","0.7","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","","0.71073","MoKα","","0.0249","0.0235","","","0.0593","0.0601","","","","","","1.097","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513831","5.678","0.0009","8.6234","0.0015","6.9697","0.0011","90","","108.215","0.017","90","","324.16","0.1","100","","100","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0503","0.0473","","","0.1257","0.1276","","","","","","1.092","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513832","5.694","0.0009","8.6422","0.0014","6.977","0.001","90","","108.275","0.016","90","","326.01","0.09","120","2","120","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0512","0.0485","","","0.1359","0.1378","","","","","","1.095","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513833","5.6991","0.0011","8.6352","0.0016","6.9739","0.0013","90","","108.17","0.02","90","","326.09","0.11","140","2","140","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0521","0.048","","","0.1174","0.12","","","","","","1.12","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513834","5.725","0.001","8.6801","0.0017","6.9895","0.0012","90","","108.21","0.02","90","","329.94","0.11","160","","160","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0479","0.0401","","","0.0918","0.0963","","","","","","1.086","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513835","5.7409","0.001","8.7209","0.0016","7.0062","0.0012","90","","108.314","0.019","90","","333","0.11","180","","180","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0737","0.0621","","","0.1677","0.1805","","","","","","1.09","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513836","5.7643","0.0011","8.7576","0.0019","7.0178","0.0014","90","","108.25","0.02","90","","336.45","0.12","200","","200","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0786","0.0646","","","0.1768","0.1896","","","","","","1.064","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513845","6.4147","0.0004","18.5996","0.0011","11.5206","0.0006","90","","104.145","0.0013","90","","1332.85","0.13","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H7 F9 Fe2 O15 S5 -","- C11 H7 F9 Fe2 O15 S5 -","- C22 H14 F18 Fe4 O30 S10 -","2","0.5","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0673","0.0577","","","0.1301","0.136","","","","","","1.106","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513950","8.2687","0.0007","19.3361","0.0015","8.7596","0.0007","90","","115.029","0.001","90","","1269.01","0.18","100","2","100","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","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0395","0.0351","","","0.0777","0.0789","","","","","","1.288","","","","has coordinates","187880","2020-10-21","18:00:00",""
"4514248","6.417","0.0004","7.0536","0.001","10.791","0.0007","90","","93.618","0.007","90","","487.46","0.08","294.59","0.1","294.59","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","0.5","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0605","","","0.1303","0.1713","","","","","","1.106","","","","has coordinates","202660","2020-10-21","18:00:00",""
"4514335","9.52","","3.34","","14.9","","90","","110","","90","","445.2","","293","","293","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Tantalum trisufide","","- S3 Ta -","- S4.5 Ta1.5 -","- S18 Ta6 -","4","1","","Mayorga-Martinez, Carmen C; Sofer, Zdeněk; Luxa, Jan; Huber, Štěpán; Sedmidubský, David; Brázda, Petr; Palatinus, Lukáš; Mikulics, Martin; Lazar, Petr; Medlín, Rostislav; Pumera, Martin","TaS3 Nanofibers: Layered Trichalcogenide for High-Performance Electronic and Sensing Devices.","ACS nano","2018","12","1","464","473","10.1021/acsnano.7b06853","","electron","0.0335","electron","","0.1358","0.0705","","","0.0766","0.0785","","","","2.76","2.76","2.1","","","","has coordinates","206136","2020-10-21","18:00:00",""
"4514345","12.513","0.002","17.266","0.003","12.709","0.002","90","","107.182","0.003","90","","2623.2","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jonnk09","","","- C59 H96 Mn N O4 P2 -","- C59 H96 Mn N O4 P2 -","- C118 H192 Mn2 N2 O8 P4 -","2","0.5","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0878","0.0526","","","0.1155","0.131","","","","","","1.037","","","","has coordinates,has disorder","206120","2020-10-21","18:00:00",""
"4514512","6.43","0.0005","27.6956","0.0019","6.6958","0.0005","90","","115.348","0.002","90","","1077.61","0.14","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H22 O17 Sr -","- C19 H22 O17 Sr -","- C38 H44 O34 Sr2 -","2","0.5","","Usman, Muhammad; Bera, Krishna Prasad; Haider, Golam; Sainbileg, Batjargal; Hayashi, Michitoshi; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Yang-Fang; Lu, Kuang-Lieh","Single-Molecule-Based Electroluminescent Device as Future White Light Source.","ACS applied materials & interfaces","2019","11","4","4084","4092","10.1021/acsami.8b17107","","","0.71073","MoKα","","0.0677","0.0604","","","0.1513","0.1549","","","","","","1.166","","","","has coordinates","219697","2020-10-21","18:00:00",""
"4514563","7.849","0.007","26.26","0.019","10.736","0.008","90","","111.101","0.006","90","","2064","3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H29 Cl6 N2 O3 P -","- C44 H29 Cl6 N2 O3 P -","- C88 H58 Cl12 N4 O6 P2 -","2","0.5","","Zhong, Daokun; Yu, Yue; Song, Dongdong; Yang, Xiaolong; Zhang, Yindi; Chen, Xi; Zhou, Guijiang; Wu, Zhaoxin","Organic Emitters with a Rigid 9-Phenyl-9-phosphafluorene Oxide Moiety as the Acceptor and Their Thermally Activated Delayed Fluorescence Behavior.","ACS applied materials & interfaces","2019","11","30","27112","27124","10.1021/acsami.9b05950","","","0.71073","MoKα","","0.115","0.0929","","","0.2645","0.2867","","","","","","1.045","","","","has coordinates","219748","2020-10-21","18:00:00",""
"4514739","8.6752","0.0003","12.5702","0.0004","14.4059","0.0005","90","","101.795","0.001","90","","1537.78","0.09","100","","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C29 H42 F N Ni O3 P2 S -","- C29 H42 F N Ni O3 P2 S -","- C58 H84 F2 N2 Ni2 O6 P4 S2 -","2","0.5","","Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R.","Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles.","ACS catalysis","2019","9","4","3304","3310","10.1021/acscatal.9b00744","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0593","0.0613","","","","","","1.07","","","","has coordinates,has disorder","219904","2020-10-21","18:00:00",""
"4515770","7.1256","0.0002","13.4641","0.0004","8.7896","0.0003","90","","102.373","0.001","90","","823.69","0.04","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H28 Cl Ir P2 -","- C14 H28 Cl Ir P2 -","- C28 H56 Cl2 Ir2 P4 -","2","0.5","","Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun","Rational Design of a Catalyst for the Selective Monoborylation of Methane","ACS Catalysis","2018","8","11","10021","","10.1021/acscatal.8b02771","","","0.71073","MoKα","","0.0194","0.0163","","","0.034","0.0349","","","","","","1.059","","","","has coordinates,has disorder","225895","2020-10-21","18:00:00",""
"4515788","6.3483","0.001","7.2804","0.0011","11.9671","0.0018","90","","93.604","0.01","90","","552","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(phenylimido)trimethyl tungsten chloride","","- C9 H14 Cl N W -","- C9 H14 Cl N W -","- C18 H28 Cl2 N2 W2 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0156","0.0152","","","0.0404","0.0405","","","","","","1.323","","","","has coordinates,has disorder","266888","2021-07-02","05:34:22",""
"4515982","8.5129","0.0011","14.7798","0.0019","10.922","0.0014","90","","98.3608","0.0019","90","","1359.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H42 F6 N Ni P3 -","- C22 H42 F6 N Ni P3 -","- C44 H84 F12 N2 Ni2 P6 -","2","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0486","0.0429","","","0.1141","0.1185","","","","","","1.031","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4516104","8.804","0.0004","14.0866","0.0007","11.5559","0.0006","90","","111.296","0.001","90","","1335.28","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Cu3 I6 N3 -","- C15 H18 Cu3 I6 N3 -","- C30 H36 Cu6 I12 N6 -","2","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.029","0.0225","","","0.0454","0.0478","","","","","","1.042","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516546","9.696","0.002","31.604","0.008","9.801","0.002","90","","101.57","0.008","90","","2942.3","1.1","90","","90","","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H97 N3 O8 -","- C64 H97 N3 O8 -","- C128 H194 N6 O16 -","2","0.5","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","1.54178","CuKα","","0.044","0.0428","","0.1136","0.1108","0.1127","","","","","","1.0285","","","","has coordinates,has disorder","231372","2020-10-21","18:00:00",""
"4517399","13.8832","0.0006","35.9157","0.0017","14.1516","0.0006","90","","119.08","0.002","90","","6166.8","0.5","150","","150","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C104 H22 Ag7 F24 N O32 P2 S8 -","- C104 H22 Ag7 F24 N O32 P2 S8 -","- C208 H44 Ag14 F48 N2 O64 P4 S16 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0723","0.0624","","","0.168","0.1747","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","248033","2020-10-21","18:00:00",""
"4517595","9.9098","0.0003","16.2274","0.0005","26.3625","0.0011","90","","99.482","0.003","90","","4181.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C150 O2 S4 -","- C150 O2 S4 -","- C300 O4 S8 -","2","0.5","","Li, Shu-Hui; Xing, Zhou; Wu, Bao-Shan; Chen, Zuo-Chang; Yao, Yang-Rong; Tian, Han-Rui; Li, Meng-Fan; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02119","","x-ray","1.54184","CuKα","","0.1779","0.1545","","","0.3304","0.3455","","","","","","1.025","","","","has coordinates,has disorder","251021","2020-10-21","18:00:00",""
"4517674","7.3142","0.0014","6.1257","0.0012","9.7254","0.0018","90","","108.356","0.004","90","","413.57","0.14","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 N9 O4 -","- C3 H5 N9 O4 -","- C6 H10 N18 O8 -","2","0.5","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0987","0.0488","","","0.126","0.1483","","","","","","0.994","","","","has coordinates","252132","2020-10-21","18:00:00",""
"4518255","13.152","0.004","6.687","0.002","15.824","0.005","90","","95.99","0.008","90","","1384.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H19 Cl3 N4 O2 S -","- C27 H19 Cl3 N4 O2 S -","- C54 H38 Cl6 N8 O4 S2 -","2","0.5","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.1411","0.0935","","","0.2316","0.263","","","","","","1.091","","","","has coordinates,has disorder","259204","2020-11-20","22:28:35",""
"4518294","10.5561","0.0008","23.972","0.002","13.3418","0.0011","90","","92.033","0.002","90","","3374","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H32 Br2 Cl2 N4 O Pd -","- C32 H30 Br2 Cl2 N4 O Pd -","- C128 H120 Br8 Cl8 N16 O4 Pd4 -","4","1","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.1308","0.0716","","","0.1905","0.2298","","","","","","1.112","","","","has coordinates,has disorder","260413","2021-01-04","03:05:42",""
"4518473","7.1648","0.0019","12.225","0.003","8.905","0.002","90","","110.083","0.003","90","","732.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H8 F8 Sn -","- C15 H8 F8 Sn -","- C30 H16 F16 Sn2 -","2","0.5","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0261","0.0258","","","0.1012","0.1015","","","","","","1.163","","","","has coordinates","261416","2021-02-03","20:28:07",""
"4518482","5.0947","0.0003","6.15","0.0003","5.3209","0.0004","90","","90.528","0.005","90","","166.71","0.018","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","LiPON","'Crystalline lithium phosphorous oxynitride'","","- Li3.6 N0.6 O3.4 P -","- Li3.68 N0.417 O3.583 P -","- Li7.36 N0.834 O7.166 P2 -","2","0.5","","López-Aranguren, Pedro; Reynaud, Marine; Głuchowski, Paweł; Bustinza, Ainhoa; Galceran, Montserrat; López del Amo, Juan Miguel; Armand, Michel; Casas-Cabanas, Montse","Crystalline LiPON as a Bulk-Type Solid Electrolyte","ACS Energy Letters","2021","","","445","450","10.1021/acsenergylett.0c02336","powder diffraction","","1.54418","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7853","","","","","","","","has coordinates","261425","2021-02-03","21:10:29",""
"4518483","5.098","0.001","6.1581","0.0013","5.3237","0.0012","90","","90.598","0.015","90","","167.12","0.06","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","LiPON","'Crystalline lithium phosphorous oxynitride'","","- Li3.6 N0.6 O3.4 P -","- Li3.68 N0.417 O3.583 P -","- Li7.36 N0.834 O7.166 P2 -","2","0.5","","López-Aranguren, Pedro; Reynaud, Marine; Głuchowski, Paweł; Bustinza, Ainhoa; Galceran, Montserrat; López del Amo, Juan Miguel; Armand, Michel; Casas-Cabanas, Montse","Crystalline LiPON as a Bulk-Type Solid Electrolyte","ACS Energy Letters","2021","","","445","450","10.1021/acsenergylett.0c02336","powder diffraction","","","X-ray","","","","","","","","","14.0915","","","","","","","","has coordinates","261426","2021-02-03","21:10:52",""
"4518759","12.5963","0.0011","15.8309","0.0012","21.3399","0.0016","90","","94.305","0.007","90","","4243.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C81 H95 Co2 N3 O42 -","- C72 H61 Co2 O34 -","- C144 H122 Co4 O68 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1448","0.0814","","","0.2101","0.2503","","","","","","1.027","","","","has coordinates","266953","2021-07-04","01:29:20",""
"4518760","12.4181","0.0012","15.923","0.0015","21.1268","0.0018","90","","99.729","0.003","90","","4117.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C78 H82 Co2 N2 O38 -","- C75 H69 Co2 N O35 -","- C150 H138 Co4 N2 O70 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1781","0.1145","","","0.2815","0.3235","","","","","","1.064","","","","has coordinates,has disorder","266953","2021-07-04","01:29:24",""
"4518761","12.5759","0.0006","15.8171","0.0007","21.3319","0.001","90","","93.982","0.002","90","","4233","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C78 H82 Co2 N14 O58 -","- C78 H80 Co2 N4 O41 -","- C156 H160 Co4 N8 O82 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1403","0.0761","","","0.2045","0.251","","","","","","1.023","","","","has coordinates,has disorder","266953","2021-07-04","01:29:24",""
"4519010","6.9892","0.0012","9.8482","0.0016","17.931","0.003","90","","90.995","0.002","90","","1234","0.4","273","2","273","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C44 H36 F12 Fe4 N2 O8 S4 -","2","0.5","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0665","0.0598","","","0.1497","0.1553","","","","","","1.109","","","","has coordinates,has disorder","268435","2021-09-03","20:25:53",""
"5900005","6.13","","6.48","","6.08","","90","","114.55","","90","","219.68","","","","","","","","","","","","","4","P 1 21/m 1","","11","","Ethylnitramine","","- C2 H6 N2 O2 -","","","2","0.5","","","","Nature","1947","160","","826","","10.1038/160826a0","","","","","","","","","","","","","","","","","","","","","","264769","2021-05-03","12:41:22",""
"5900006","5.06","","7.28","","5.81","","90","","101.52","","90","","209.71","","","","","","","","","","","","","5","P 1 21/m 1","","11","","Methylamine boron triflouride","","- C H5 B F3 N -","- C H5 B N P3 -","- C2 H10 B2 N2 P6 -","2","0.5","","Geller, S.; Hoard, J. L.","Structures of molecular addition compounds. I. Monomethyl amine‒boron trifluoride, H~3~CH~2~N‒BF~3~","Acta Crystallographica","1950","3","2","121","129","10.1107/S0365110X50000276","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910035","7.18","","11.38","","7.32","","90","","106.22","","90","","574.299","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Lautarite","","- Ca I2 O6 -","- Ca4 I8 O24 -","- Ca4 I8 O24 -","","","","Wyckoff, R. W. G.","Page 274 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","274","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910058","5.49","","11.14","","6.05","","90","","98.42","","90","","366.021","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tri thiazyl chloride","","- Cl3 N3 S3 -","- Cl12 N20 S20 -","- Cl12 N20 S20 -","","","","Wyckoff, R. W. G.","Pages 103 & 104 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951.","The Structure of Crystals","1951","4","","103","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000219","9.638","","7.577","","8.537","","90","","112.89","","90","","574.34","","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- H10 Mo3 N2 O11 -","","","","","","Lasocha, W.; Jansen, J.; Schenk, H.","Crystal-structure of ammonium trimolybdate monohydrate (NH4)(2)Mo3O10-center-dot-H2O by powder diffraction method","Journal of Solid State Chemistry","1995","116","","422","426","10.1006/jssc.1995.1235","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000228","8.3617","","7.1899","","5.4586","","90","","103.784","","90","","318.72","","","","","","","","","","","","","5","P 1 21/m 1","","","","","","- C3 H4 O5 P Pr -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid organic-inorganic frameworks (MIL-n). Hydrothermal synthesis of a series of pillared lanthanide carboxyethylphosphonates and X-ray powder ab initio structure determination of MIL-19, Pr[O3P(CH2)(2)CO2]","Inorganic Chemistry","1999","38","","4741","4744","10.1021/ic981440i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000448","5.543","","21.995","","6.079","","90","","92.04","","90","","740.67","","","","","","","","","","","","","5","P 1 21/m 1","","","","","","- Cd Cu4 H12 O18 S2 -","","","","","","Giester, G.; Rieck, B.; Brandstatter, F.","Niedermayrite, Cu4Cd(SO4)(2)(OH)(6 .)4H(2)O, a new mineral from the Lavrion mining district, Greece","Mineralogy and Petrology","1998","63","","19","34","10.1007/BF01162766","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000451","6.9123","","9.5658","","3.5698","","90","","93.218","","90","","235.67","","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- C4 H5 N3 O2 -","","","","","","Karen, P.; Harlow, R. L.; Li, Z. G.; Meenan, P.; Parziale, P. A.","The crystal structure of 2-amino-4,6-dihydroxypyrimidine determined from powder X-ray synchrotron diffraction","Acta Chemica Scandinavica","1998","52","","1051","1055","10.3891/acta.chem.scand.52-1051","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000494","6.9669","0.0006","17.6627","0.0015","8.9304","0.0008","90","","105.347","0.001","90","","1059.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Vanadium phosphate","Hemiammoniumvanadyl(IV, V)phosphatesesquihydrate","","- H5 N0.5 O6.5 P V -","- H3.75 N0.5 O6.85 P V -","- H30 N4 O54.8 P8 V8 -","8","2","","Junghwan Do; Ranko P. Bontchev; Allan J. Jacobson","A Hydrothermal Investigation of the 1/2V~2~O~5~-H~2~C~2~O~4~ / H~3~PO~4~ / NH~4~OH System: Synthesis and Structures of (NH~4~)VOPO~4~1.5H~2~O, (NH~4~) (NH~4~)~0.5~VOPO~4~1.5H~2~O, (NH~4~)~2~[VO(H~2~O)~3~]~2~[VO(H~2~O)][VO(PO~4~)~2~]~2~3H~2~O, and (NH~4~)~2~[VO(HPO~4~)]~2~(C~2~O~4~)H~2~O","Inorganic Chemistry","2000","39","","3230","3237","10.1021/ic0000303","","","0.71073","MoKα","","0.061","0.0582","","0.136","0.1349","","","","1.337","1.368","1.368","","","","","has coordinates","176292","2020-10-21","18:00:00",""
"6000658","9.6552","","8.5197","","6.6746","","90","","100.761","","90","","539.39","","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- Fe Ge2 O7 Y -","","","","","","Cascales, C.; Bucio, L.; Puebla, E. G.; Rasines, I.; Fernandez-Diaz, M. T.","Magnetic ordering of Fe and Tb in the ab initio determined FeRGe2O7 structure (R = Y, Tb)","Physical Review B","1998","57","","5240","5249","10.1103/PhysRevB.57.5240","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000659","9.6388","","8.4789","","6.7383","","90","","100.377","","90","","541.69","","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- Fe Ge2 O7 Tb -","","","","","","Cascales, C.; Bucio, L.; Puebla, E. G.; Rasines, I.; Fernandez-Diaz, M. T.","Magnetic ordering of Fe and Tb in the ab initio determined FeRGe2O7 structure (R = Y, Tb)","Physical Review B","1998","57","","5240","5249","10.1103/PhysRevB.57.5240","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000728","6.7778","","11.3673","","6.5843","","90","","90.644","","90","","507.26","","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- H8 La N3 O13 -","","","","","","Gobichon, A. E.; Louer, M.; Auffredic, J. P.; Louer, D.","Structure determination of two polymorphic phases of La(NO3)(3).4H(2)O from X-ray powder diffraction","Journal of Solid State Chemistry","1996","126","","127","134","10.1006/jssc.1996.0320","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000744","7.6661","","9.6212","","7.0725","","90","","106.261","","90","","500.78","","","","","","","","","","","","","5","P 1 21/m 1","","","","","","- C H16 Co5 N6 O6.5 -","","","","","","Wu, H. X.; Zhu, J. H.; Ma, L. D.; Shen, X. L.; Shi, G. S.","Powder diffraction of [Co(NH3)(5)CO3]NO3 .1/2H(2)O and [Co(NH3)(4)CO3]NO3 .1/2H(2)O","Powder Diffraction","1998","13","","32","34","10.1017/S0885715600009726","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000323","8.6904","0.0008","23.414","0.002","8.8729","0.0009","90","","111.645","0.002","90","","1678.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H28 B3 Cu3 F12 N8 -","- C26 H28 B3 Cu3 F12 N8 -","- C52 H56 B6 Cu6 F24 N16 -","2","0.5","","Maekawa, Masahiko; Nabei, Atsuhiro; Tominaga, Toshi; Sugimoto, Kunihisa; Minematsu, Toshie; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","A unique chair-shaped hexanuclear Cu(I) metallamacrocyclic C2H4 adduct encapsulating a BF4− anion","Dalton Transactions","2009","","3","415","417","10.1039/b812337c","","","0.71075","MoKα","","0.1137","0.088","","","0.2218","0.2434","","","","","","1.253","","","","has coordinates,has disorder","209588","2020-10-21","18:00:00",""
"7000349","7.2806","0.0008","5.9376","0.0007","9.8324","0.0005","90","","110.609","0.007","90","","397.85","0.07","100","2","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","azidoformamidinium dinitramide monohydrate","azidoformamidinium dinitramide monohydrate","","- C H6 N8 O5 -","- C H6 N8 O5 -","- C2 H12 N16 O10 -","2","0.5","","Klapötke, Thomas M.; Stierstorfer, Jörg","Azidoformamidinium and 5-aminotetrazolium dinitramide—two highly energetic isomers with a balanced oxygen content","Dalton Transactions","2009","","","","","10.1039/b811767e","","","0.71073","MoKα","","0.052","0.0372","","","0.0857","0.0911","","","","","","0.923","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000365","6.7693","0.0004","20.1415","0.0011","11.0653","0.0006","90","","92.475","0.002","90","","1507.28","0.15","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H27 Fe3 N2 O20 -","- C39 H49 Fe5 N4 O36 -","- C39 H49 Fe5 N4 O36 -","","","","Overgaard, Jacob; Larsen, Finn K.; Timco, Grigore A.; Iversen, Bo B.","Experimental charge density in an oxidized trinuclear iron complex using 15 K synchrotron and 100 K conventional single-crystal X-ray diffraction","Dalton Transactions","2009","","4","664","","10.1039/b811576a","","","","","","0.0262","0.0146","","","","0.0257","","","","","","1.4871","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000366","6.7535","0.0002","20.1326","0.0005","11.0618","0.0003","90","","92.283","0.0006","90","","1502.83","0.07","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H27 Fe3 N2 O20 -","- C42 H54 Fe6 N4 O40 -","- C42 H54 Fe6 N4 O40 -","","","","Overgaard, Jacob; Larsen, Finn K.; Timco, Grigore A.; Iversen, Bo B.","Experimental charge density in an oxidized trinuclear iron complex using 15 K synchrotron and 100 K conventional single-crystal X-ray diffraction","Dalton Transactions","2009","","4","664","","10.1039/b811576a","","","","","","0.043","0.033","","","","0.045","","","","","","1.529","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000390","7.2165","0.0014","11.797","0.002","10.771","0.002","90","","95.3","0.03","90","","913","0.3","298","2","298","2","","","101.33","","","","","6","P 1 21/m 1","-P 2yb","11","(2,2'-dipyridylamine)(eta4-1,5-cyclooctadiene)copper(i) tetrafluoroborate","(2,2'-dipyridylamine)(η4-1,5-cyclooctadiene)copper(I) tetrafluoroborate","","- C18 H21 B Cu F4 N3 -","- C18 H21 B Cu F4 N3 -","- C36 H42 B2 Cu2 F8 N6 -","2","0.5","","Allen, John J.; Barron, Andrew R.","Olefin coordination in copper(I) complexes of bis(2-pyridyl)amine","Dalton Transactions","2009","","5","878","890","10.1039/b814829e","","x-ray","0.71073","MoKα","","0.0882","0.0656","","","0.1796","0.199","","","","","","1.047","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000777","7.6618","0.0004","11.4769","0.0006","9.0706","0.0005","90","","113.717","0.001","90","","730.25","0.07","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","(Cu(C12H18))(SbF6)","","","- C12 H18 Cu F6 Sb -","- C12 H18 Cu F6 Sb -","- C24 H36 Cu2 F12 Sb2 -","2","0.5","","Fianchini, Mauro; Cundari, Thomas R.; DeYonker, Nathan J.; Dias, H. V. Rasika","A non-classical copper carbonyl on a tri-alkene hydrocarbon support","Dalton Transactions","2009","","12","2085","2087","10.1039/b902678a","","","0.71073","MoKα","","0.0198","0.0194","","","0.0527","0.0532","","","","","","1.034","","","","has coordinates,has disorder","179685","2020-10-21","18:00:00",""
"7001430","10.4711","0.0007","19.2484","0.0013","10.6315","0.0008","90","","93.894","0.002","90","","2137.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 N2 O P2 Si2 Y -","- C42 H53 N2 O P2 Si2 Y -","- C84 H106 N4 O2 P4 Si4 Y2 -","2","0.5","","Mills, David P.; Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Liddle, Stephen T.","Synthesis and reactivity of the yttrium-alkyl-carbene complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})","Dalton Transactions","2009","","23","4547","4555","10.1039/b902079a","","","0.71073","MoKα","","0.0423","0.035","","","0.0845","0.088","","","","","","1.04","","","","has coordinates,has disorder","179712","2020-10-21","18:00:00",""
"7001567","18.6628","0.0013","33.463","0.002","22.864","0.0016","90","","109.814","0.001","90","","13433.5","1.6","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C121 H165 Bi4 O17.5 S5.5 -","- C114 H142 Bi4 O14 S2 -","- C456 H568 Bi16 O56 S8 -","4","1","","Mendoza-Espinosa, Daniel; Hanna, Tracy A.","Synthesis, X-ray structures and reactivity of calix[5]arene bismuth(iii) and antimony(iii) complexes","Dalton Transactions","2009","","26","5211","5225","10.1039/b903943k","","","0.71073","MoKα","","0.0917","0.0703","","","0.1915","0.1999","","","","","","1.126","","","","has coordinates,has disorder","179713","2020-10-21","18:00:00",""
"7001603","8.9817","0.0007","6.9983","0.0004","14.1109","0.001","90","","107.961","0.003","90","","843.74","0.1","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 F3 N3 O3 Pd S -","- C14 H16 F3 N3 O3 Pd S -","- C28 H32 F6 N6 O6 Pd2 S2 -","2","0.5","","Cao, Lingyun; Jennings, Michael C.; Puddephatt, Richard J.","A dipalladium complex with a single hydroxo bridge and its methylpalladium precursor","Dalton Transactions","2009","","26","5171","5176","10.1039/b906038c","","","0.71073","MoKα","","0.0473","0.0431","","","0.1233","0.126","","","","","","1.219","","","","has coordinates,has disorder","179714","2020-10-21","18:00:00",""
"7001679","15.864","0.01","37.04","0.02","21.361","0.013","90","","110.461","0.011","90","","11760","12","90","","90","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H187 N13 O228 P6 Si6 W51 -","- C14 N7 O192 P6 Si6 W51 -","- C28 N14 O384 P12 Si12 W102 -","2","0.5","","Kurashina, Takayuki; Aoki, Shotaro; Hirasawa, Ryota; Hasegawa, Takeshi; Kasahara, Yuhki; Yoshida, Shoko; Yoza, Kenji; Nomiya, Kenji","Cyclic oligomer of oxide clusters through a siloxane bond. Synthesis and structure of reaction products of α2-mono-lacunary Dawson polyoxometalate with tetrachlorosilane and tetraethoxysilane","Dalton Transactions","2009","","28","5542","5550","10.1039/b902904d","","","0.71073","MoKα","","0.0758","0.0605","","","0.151","0.1646","","","","","","1.099","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7001728","9.5402","0.0018","17.21","0.002","14.068","0.002","90","","97.87","0.018","90","","2288","0.6","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H75 Al5 N3 Y3 -","- C32 H75 Al5 N3 Y3 -","- C64 H150 Al10 N6 Y6 -","2","0.5","","Venugopal, Ajay; Kamps, Ina; Bojer, Daniel; Berger, Raphael J. F.; Mix, Andreas; Willner, Alexander; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Neutral ligand induced methane elimination from rare-earth metal tetramethylaluminates up to the six-coordinate carbide state","Dalton Transactions","2009","","29","5755","","10.1039/b905271b","","","0.71073","MoKα","","0.086","0.0555","","","0.1244","0.1398","","","","","","1.006","","","","has coordinates,has disorder","179715","2020-10-21","18:00:00",""
"7001730","9.5604","0.0011","17.289","0.002","14.1729","0.0017","90","","97.61","0.002","90","","2322","0.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H75 Al5 N3 Sm3 -","- C32 H75 Al5 N3 Sm3 -","- C64 H150 Al10 N6 Sm6 -","2","0.5","","Venugopal, Ajay; Kamps, Ina; Bojer, Daniel; Berger, Raphael J. F.; Mix, Andreas; Willner, Alexander; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Neutral ligand induced methane elimination from rare-earth metal tetramethylaluminates up to the six-coordinate carbide state","Dalton Transactions","2009","","29","5755","","10.1039/b905271b","","","0.71073","MoKα","","0.0424","0.0378","","","0.0778","0.0793","","","","","","1.223","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001902","5.2609","0.0011","15.331","0.003","8.0732","0.0017","90","","90.262","0.002","90","","651.1","0.2","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","ZnPO-EU3","","","- C Na2 O12 P3 Zn3 -","- C N Na2 O12 P3 Zn3 -","- C2 N2 Na4 O24 P6 Zn6 -","2","0.5","","Liu, Lei; Wragg, David S.; Zhang, Hongyan; Kong, Ying; Byrne, Peter J.; Prior, Timothy J.; Warren, John E.; Lin, Zhuojia; Dong, Jinxiang; Morris, Russell E.","Ionothermal synthesis, structure and characterization of three-dimensional zinc phosphates","Dalton Transactions","2009","","34","6715","6718","10.1039/b906934h","","","0.8462","synchrotron","","0.0868","0.0722","","","0.1733","0.1808","","","","","","1.128","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7002110","8.795","0.002","17.615","0.004","10.61","0.002","90","","99.841","0.006","90","","1619.6","0.6","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H42 Au Cl3 N2 -","- C30 H40 Au Cl3 N2 -","- C60 H80 Au2 Cl6 N4 -","2","0.5","","Gaillard, Sylvain; Bantreil, Xavier; Slawin, Alexandra M. Z.; Nolan, Steven P.","Synthesis and characterization of IPrMe-containing silver(I), gold(I) and gold(III) complexes","Dalton Transactions","2009","","35","6967","","10.1039/b907109a","","","0.71073","MoKα","","0.0595","0.0553","","","0.1436","0.149","","","","","","0.985","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002111","9.4271","0.0019","17.845","0.003","9.7182","0.0018","90","","110.881","0.005","90","","1527.5","0.5","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H39.5 Au Cl3.5 N2 -","- C29 H38 Au Cl3.5 N2 -","- C58 H76 Au2 Cl7 N4 -","2","0.5","","Gaillard, Sylvain; Bantreil, Xavier; Slawin, Alexandra M. Z.; Nolan, Steven P.","Synthesis and characterization of IPrMe-containing silver(I), gold(I) and gold(III) complexes","Dalton Transactions","2009","","35","6967","","10.1039/b907109a","","","0.71073","MoKα","","0.0512","0.0438","","","0.0988","0.1067","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002339","8.649","0.005","13.089","0.007","10.018","0.006","90","","113.525","0.008","90","","1039.8","1","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H29 Cl N6 Zn -","- C18 H29 Cl N6 Zn -","- C36 H58 Cl2 N12 Zn2 -","2","0.5","","Sánchez-Barba, Luis F.; Alonso-Moreno, Carlos; Garcés, Andrés; Fajardo, Mariano; Fernández-Baeza, Juan; Otero, Antonio; Lara-Sánchez, Agustín; Rodríguez, Ana M.; López-Solera, Isabel","Synthesis, structures and ring-opening polymerization studies of new zinc chloride and amide complexes supported by amidinate heteroscorpionate ligands","Dalton Transactions","2009","","38","8054","8062","10.1039/b910048b","","","0.71073","MoKα","","0.1513","0.0699","","","0.132","0.1631","","","","","","0.852","","","","has coordinates","209604","2020-10-21","18:00:00",""
"7002833","11.498","0.002","6.9069","0.0014","13.575","0.003","90","","113.8","0.003","90","","986.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H25 Ag N2 O5 -","- C22 H25 Ag N2 O5 -","- C44 H50 Ag2 N4 O10 -","2","0.5","","Jin, Jun-Cheng; Wang, Yao-Yu; Zhang, Wei-Hong; Lermontov, Anatoly S.; Lermontova, Elmira Kh.; Shi, Qi-Zhen","New types of di-, tetra-, hexa- and octanuclear Ag(i) complexes containing 1,3-adamantanedicarboxylic acid","Dalton Transactions","2009","","46","10181","10191","10.1039/b909309e","","","0.71073","MoKα","","0.0593","0.0493","","","0.1169","0.1261","","","","","","1.065","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7002834","14.281","0.009","6.811","0.004","21.032","0.012","90","","100.541","0.01","90","","2011","2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H41 Ag2 N4 O10 -","- C32 H41 Ag2 N4 O10 -","- C64 H82 Ag4 N8 O20 -","2","0.5","","Jin, Jun-Cheng; Wang, Yao-Yu; Zhang, Wei-Hong; Lermontov, Anatoly S.; Lermontova, Elmira Kh.; Shi, Qi-Zhen","New types of di-, tetra-, hexa- and octanuclear Ag(i) complexes containing 1,3-adamantanedicarboxylic acid","Dalton Transactions","2009","","46","10181","10191","10.1039/b909309e","","","0.71073","MoKα","","0.1606","0.0616","","","0.0996","0.1101","","","","","","0.924","","","","has coordinates,has disorder","179732","2020-10-21","18:00:00",""
"7002843","13.0832","0.0004","30.7184","0.0007","14.8956","0.0004","90","","105.222","0.001","90","","5776.4","0.3","153","2","153","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C99 H96 Cl2 Cu4 F6 I3 N2 P9 -","- C99 H96 Cl2 Cu4 F6 I3 N2 P9 -","- C198 H192 Cl4 Cu8 F12 I6 N4 P18 -","2","0.5","","Takemura, Yukie; Nakajima, Takayuki; Tanase, Tomoaki","Interconversion between ladder-type octanuclear and linear tetranuclear copper(i) complexes supported by tetraphosphine ligands","Dalton Transactions","2009","","46","10231","10243","10.1039/b909252h","","","0.7107","MoKα","","","0.046","","","","0.14","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002869","6.7758","0.0002","6.0181","0.0002","7.1315","0.0002","90","","113.832","0.002","90","","266.009","0.015","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- As Ce F2 H4 N O4 -","- As Ce F2 N O4 -","- As2 Ce2 F4 N2 O8 -","2","0.5","","Rouse, Jessica; Weller, Mark T.","Cerium(IV) fluoride and fluoride-arsenate frameworks","Dalton Transactions","2009","","46","10330","10337","10.1039/b912262a","","","0.71073","MoKα","","0.0282","0.0277","","","0.0973","0.0978","","","","","","1.339","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003012","9.605","0.0006","12.3491","0.0008","13.2765","0.0009","90","","96.8204","0.0008","90","","1563.62","0.18","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H48 B O P Ru -","- C34 H48 B O P Ru -","- C68 H96 B2 O2 P2 Ru2 -","2","0.5","","Rankin, Matthew A; Hesp, Kevin D; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Exploring the reactivity of a coordinatively unsaturated Cp*Ru(kappa(2)-P,O) complex with small molecule substrates: application in E-H bond activation (E = H, B, and Si).","Dalton transactions (Cambridge, England : 2003)","2009","","24","4756","4765","10.1039/b903420j","","","0.71073","MoKα","","0.0281","0.0263","","","0.0716","0.0733","","","","","","1.14","","","","has coordinates,has disorder","179734","2020-10-21","18:00:00",""
"7003066","6.4118","0.0002","23.716","0.0006","12.1682","0.0003","90","","96.579","0.001","90","","1838.14","0.09","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29 H32 Cl N9 Ni O2 S5 -","- C29 H28 Cl N9 Ni O2 S5 -","- C58 H56 Cl2 N18 Ni2 O4 S10 -","2","0.5","","Ju, Zhan-Feng; Yao, Qing-Xia; Wu, Wei; Zhang, Jie","Strong electron-accepting methylviologen dication confined in magnetic hosts: synthesis, structural characterization, charge-transfer and magnetic properties of {(MV)2[Ni(SCN)5]·Cl·2H2O}n and {(MV)[M(N3)2(SCN)2]}n (M = Mn, Co)","Dalton Transactions","2008","","3","355","","10.1039/b710628a","","","0.71073","MoKα","","0.0584","0.0492","","","0.1419","0.1566","","","","","","1.065","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003971","11.56","0.0002","25.6411","0.0005","12.1026","0.0002","90","","92.12","0.001","90","","3584.89","0.11","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H60 Mo12 O50 Rb2 S12 -","- C6 H4 Mo12 O50 Rb2 S12 -","- C12 H8 Mo24 O100 Rb4 S24 -","2","0.5","","Lemonnier, Jean-François; Kachmar, Ali; Floquet, Sébastien; Marrot, Jérôme; Rohmer, Marie-Madeleine; Bénard, Marc; Cadot, Emmanuel","Tuning the thermodynamic stability of oxothiomolybdenum wheels: crystal structures, studies in solution and DFT calculations","Dalton Transactions","2008","","34","4565","","10.1039/b801716f","","","0.71073","MoKα","","0.0595","0.0438","","","0.1262","0.1514","","","","","","1.104","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7003972","17.9056","0.0004","12.2302","0.0004","20.4212","0.0006","90","","108.007","0.001","90","","4253","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H86 Mo12 N2 O47 S12 -","- C20 H36 Mo12 N2 O47 S12 -","- C40 H72 Mo24 N4 O94 S24 -","2","0.5","","Lemonnier, Jean-François; Kachmar, Ali; Floquet, Sébastien; Marrot, Jérôme; Rohmer, Marie-Madeleine; Bénard, Marc; Cadot, Emmanuel","Tuning the thermodynamic stability of oxothiomolybdenum wheels: crystal structures, studies in solution and DFT calculations","Dalton Transactions","2008","","34","4565","","10.1039/b801716f","","","0.71073","MoKα","","0.0596","0.038","","","0.1193","0.1408","","","","","","1.099","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7004345","7.3615","0.0002","17.614","0.004","11.267","0.002","90","","108.06","0.03","90","","1389","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H26 Ag2 N4 O9 S -","- C27 H26 Ag2 N4 O9 S -","- C54 H52 Ag4 N8 O18 S2 -","2","0.5","","Wu, Hua; Dong, Xian-Wu; Liu, Hai-Yan; Ma, Jian-Fang; Li, Shun-Li; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of anionic sulfonate-containing co-ligands on the solid structures of silver complexes supported by 4,4′-bipyridine bridges","Dalton Transactions","2008","","39","5331","5341","10.1039/b806195e","","","0.71073","MoKα","","0.0326","0.0256","","","0.0636","0.0661","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004439","13.5933","0.0013","13.7409","0.0013","18.5607","0.0017","90","","103.052","0.003","90","","3377.3","0.6","220","2","220","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C31 H75 F12 O P5 Re6 Sb2 Se8 -","- C31 H75 F12 O P5 Re6 Sb2 Se8 -","- C62 H150 F24 O2 P10 Re12 Sb4 Se16 -","2","0.5","","Orto, Peter J.; Nichol, Gary S.; Okumura, Noriko; Evans, Dennis H.; Arratia-Pérez, Ramiro; Ramirez-Tagle, Rodrigo; Wang, Ruiyao; Zheng, Zhiping","Cluster carbonyls of the [Re6(μ3-Se)8]2+ core: synthesis, structural characterization, and computational analysis","Dalton Transactions","2008","","32","4247","4253","10.1039/b806973e","","","0.71073","MoKα","","0.0698","0.0494","","","0.1364","0.151","","","","","","1.038","","","","has coordinates,has disorder","179748","2020-10-21","18:00:00",""
"7004463","12.2461","0.0009","30.9771","0.0009","19.4645","0.0008","90","","95.833","0.005","90","","7345.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C224 H370 B70 O23 -","- C224 H358 B70 O23 -","- C224 H358 B70 O23 -","1","0.25","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Carborane inclusion chemistry for the uncommon calix[7,9]arenes","Dalton Transactions","2008","","36","4855","4859","10.1039/b807511e","","","1.54178","CuKα","","0.2129","0.1337","","","0.3489","0.3837","","","","","","1","","","","has coordinates,has disorder","179748","2020-10-21","18:00:00",""
"7004502","10.579","0.005","8.392","0.004","13.423","0.006","90","","101.594","0.004","90","","1167.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H15 Co2 K N2 O8 -","- C16 H15 Co2 K N2 O8 -","- C32 H30 Co4 K2 N4 O16 -","2","0.5","","Deng, Fan-Guo; Hu, Bin; Sun, Wei; Xia, Chun-Gu","Unexpected formation of novel organometallic hetero-cation crystals with a rare coordination mode","Dalton Transactions","2008","","43","5957","5961","10.1039/B808031c","","","0.71073","MoKα","","0.0374","0.0292","","","0.0743","0.0798","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7004503","10.318","0.007","8.633","0.006","13.11","0.009","90","","98.219","0.008","90","","1155.8","1.4","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H28 Co4 K2 N2 O16 -","- C34 H28 Co4 K2 N2 O16 -","- C34 H28 Co4 K2 N2 O16 -","1","0.25","","Deng, Fan-Guo; Hu, Bin; Sun, Wei; Xia, Chun-Gu","Unexpected formation of novel organometallic hetero-cation crystals with a rare coordination mode","Dalton Transactions","2008","","43","5957","5961","10.1039/B808031c","","","0.71073","MoKα","","0.0725","0.0477","","","0.1266","0.1423","","","","","","1.06","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004692","6.626","0.005","10.493","0.005","6.81","0.005","90","0.005","115.211","0.005","90","0.005","428.4","0.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 B Br3 N -","- C3 H10 B Br3 N -","- C6 H20 B2 Br6 N2 -","2","0.5","","Vargas-Baca, Ignacio; Findlater, Michael; Powell, Adam; Vasudevan, Kalyan V.; Cowley, Alan H.","Boron di- and tri-cations","Dalton Transactions","2008","","45","6421","6426","10.1039/b810575h","","","0.71069","MoKα","","0.0458","0.0364","","","0.0862","0.0925","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7005078","6.772","0.0016","14.61","0.003","7.809","0.003","90","","107.73","0.03","90","","735.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H16 F6 Fe N P -","- C12 H16 F6 Fe N P -","- C24 H32 F12 Fe2 N2 P2 -","2","0.5","","Kowalski, Konrad; Suwaki, Natsuko; Zakrzewski, Janusz; White, Andrew J. P.; Long, Nicholas J.; Mann, David J.","In vitro DNA scission activity of heterometallocenes.","Dalton transactions (Cambridge, England : 2003)","2007","","7","743","748","10.1039/b616191j","","","1.54248","CuKα","","0.0416","0.0382","","","0.1046","0.1059","","","","","","1.107","","","","has coordinates,has disorder","179754","2020-10-21","18:00:00",""
"7005283","7.2175","0.0007","21.8066","0.0018","11.5739","0.0013","90","","101.632","0.005","90","","1784.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H20 Co5 N2 O18 -","- C33 H20 Co5 N2 O18 -","- C66 H40 Co10 N4 O36 -","2","0.5","","Jia, Hong-Peng; Li, Wei; Ju, Zhan-Feng; Zhang, Jie","[Co5(mu3-OH)2(btec)2(bpp)]n: a three-dimensional homometallic molecular metamagnet built from the mixed hydroxide/carboxylate-bridged ferrimagnetic-like chains.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3699","3704","10.1039/b700041c","","","0.71073","MoKα","","0.0576","0.0476","","","0.1063","0.1122","","","","","","1.105","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005418","6.3584","0.001","18.8244","0.0011","13.625","0.002","90","","92.281","0.01","90","","1629.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H12 Ag2 N4 S6 W -","- C6 H12 Ag2 N4 S6 W -","- C24 H48 Ag8 N16 S24 W4 -","4","1","","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza; Hussaini, Farzanh","Synthesis and characterization of mixed-metal complexes of Ag/Cu and W/Mo and a complex of Ag with heterocyclic thione ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2949","2956","10.1039/b702129a","","","0.71073","MoKα","","0.0894","0.0456","","","0.0902","0.1044","","","","","","1.002","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7006058","8.137","0.002","6.5104","0.0016","9.101","0.002","90","","115.664","0.004","90","","434.56","0.18","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 N O6 P Zn -","- C6 H6 N O6 P Zn -","- C12 H12 N2 O12 P2 Zn2 -","2","0.5","","Yang, Yi-Fan; Ma, Yun-Sheng; Bao, Song-Song; Zheng, Li-Min","Microwave-assisted hydrothermal syntheses of metal phosphonates with layered and framework structures","Dalton Transactions","2007","","37","4222","","10.1039/b708688a","","","0.71073","MoKα","","0.0343","0.0315","","","0.0819","0.0835","","","","","","1.089","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006128","7.4872","0.0014","23.624","0.005","7.7646","0.0016","90","","105.152","0.004","90","","1325.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H11 Cu2 N13 O -","- C26 Cu2 N13 O -","- C52 Cu4 N26 O2 -","2","0.5","","Yuste, Consuelo; Bentama, Abdeslem; Stiriba, Salah-Eddine; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Ligand effects on the structures and magnetic properties of tricyanomethanide-containing copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5190","5200","10.1039/b709233d","","","0.71073","MoKα","","0.1366","0.1304","","","0.4242","0.4253","","","","","","3.633","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7007090","7.5941","0.0008","33.013","0.003","21.558","0.002","90","","90.13","0.002","90","","5404.7","0.9","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C90 H138 Cu3 N6 O15 -","- C83 H120.58 Cu3 N6 O13.25 -","- C166 H241.16 Cu6 N12 O26.5 -","2","0.5","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3114","3121","10.1039/b517274h","","","0.71073","MoKα","","0.0993","0.0718","","","0.2029","0.2178","","","","","","1.021","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007435","7.5202","0.0008","13.0771","0.0014","9.2673","0.0011","90","","95.981","0.004","90","","906.41","0.17","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C13 H19 Cu F6 N5 P -","- C13 H19 Cu F6 N5 P -","- C26 H38 Cu2 F12 N10 P2 -","2","0.5","","José Calhorda, Maria; Costa, Paulo J.; Crespo, Olga; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Naranjo, Mar; Quintal, Susana; Shi, Yu-Jun; Villacampa, M. Dolores","Group 11 complexes with the bis(3,5-dimethylpyrazol-1-yl)methane ligand. How secondary bonds can influence the coordination environment of Ag(I): the role of coordinated water in [Ag2(mu-L)2(OH2)2](OTf)2.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4104","4113","10.1039/b605034d","","","0.71073","MoKα","","0.0522","0.0368","","","0.0918","0.1006","","","","","","1.048","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007663","5.042","0.002","8.429","0.004","8.108","0.004","90","","104.748","0.008","90","","333.2","0.3","213","2","213","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H10 N2 S -","- C5 H10 N2 S -","- C10 H20 N4 S2 -","2","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0463","0.0428","","","0.1129","0.1166","","","","","","1.158","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007749","7.171","0.003","11.379","0.004","13.922","0.004","90","","102.4","0.03","90","","1109.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","fac-tricarbonyl-tris(dimethylsulfoxide,O)-rhenium(i) triflate","fac-tricarbonyl-tris(dimethylsulfoxide,O)-rhenium(I) triflate","","- C10 H18 F3 O9 Re S4 -","- C10 H18 F3 O9 Re S4 -","- C20 H36 F6 O18 Re2 S8 -","2","0.5","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","0.71073","Mokα","","0.0594","0.0483","","","0.1238","0.1348","","","","","","1.065","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007847","6.6689","0.0013","20.645","0.004","10.14","0.002","90","","94.22","0.03","90","","1392.3","0.5","110","2","110","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","trimer / phenanthrene","","","- C32 H10 F12 Hg3 -","- C32 H10 F12 Hg3 -","- C64 H20 F24 Hg6 -","2","0.5","","Taylor, Thomas J.; Burress, Charlotte N.; Pandey, Laxman; Gabbaï, François P","Structural and photophysical studies of phenanthrene adducts involving C6F5HgCl and [o-C6F4Hg]3.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4654","4656","10.1039/b611564k","","","0.71073","MoKα","","0.0445","0.0371","","","0.0946","0.0986","","","","","","1.002","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7008164","7.4441","0.0003","10.3911","0.0006","8.8386","0.0004","90","","113.95","0.003","90","","624.82","0.05","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H14 B8 Fe P2 -","- C6 H14 B8 Fe P2 -","- C12 H28 B16 Fe2 P4 -","2","0.5","","Bakardjiev, Mario; Holub, Josef; Carr, Michael J.; Kennedy, John D.; Stibr, Bohumil","Diphosphacarborane analogues of ferrocene: the synthesis of two isomeric twelve-vertex closo-[(eta5-C5H5)FeP2CB8H9] complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","909","913","10.1039/b418370c","","","0.71073","MoKα","","0.0653","0.0534","","","0.1439","0.1516","","","","","","1.069","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008945","11.514","0.002","18.291","0.003","12.439","0.002","90","","93.666","0.01","90","","2614.3","0.8","223","2","223","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Bis-[5-cyclohexylpyrazole][hydrido-tris-{3-cyclohexylpyrazol-1-yl}borato] copper(II) tetrafluoroborate chloroform solvate","","- C46 H69 B2 Cl3 Cu F4 N10 -","- C46 H69 B2 Cl3 Cu F4 N10 -","- C92 H138 B4 Cl6 Cu2 F8 N20 -","2","0.5","","Chia, Li Mei Lindy; Radojevic, Sanja; Scowen, Ian J.; McPartlin, Mary; Halcrow, Malcolm A.","Steric control of the reactivity of moderately hindered tris(pyrazolyl)borates with copper(II) salts †","Journal of the Chemical Society, Dalton Transactions","2000","","2","133","","10.1039/a907258f","","","0.71073","MoKα","","0.1456","0.0721","","0.2541","0.1676","","","","1.016","1.11","1.11","","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7009007","8.951","0.011","14.694","0.012","10.715","0.01","90","","102.08","0.07","90","","1378","2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","strontium nitridomolybdate oxide","tetra strontium oxonitridomolybdate (VI)","","- Mo N4 O Sr4 -","- Mo N4 O Sr4 -","- Mo8 N32 O8 Sr32 -","8","2","","Paul M. O'Meara; Marten G. Barker; Alexander J. Blake; Paul A. Cooke; Duncan H. Gregory","Synthesis and crystal structure of a new strontium nitridomolybdate oxide, Sr4[MoN4]O","J. Chem. Soc., Dalton Trans.","2000","","5","633","638","10.1039/a907843f","","","0.71073","MoKα","","0.0671","0.048","","","0.1175","0.1303","","","","","","1.057","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009308","11.041","0.002","17.52","0.005","12.406","0.002","90","","105.21","0.02","90","","2315.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C46 H46 Cl N8 O4 Tl3 -","- C46 H40 Cl N8 O4 Tl3 -","- C92 H80 Cl2 N16 O8 Tl6 -","2","0.5","","Bhandari, Sonali; Mahon, Mary F.; Molloy, Kieran C.; Palmer, Julie S.; Sayers, Stephen F.","Thallium(I)- and organothallium(III)-substituted mono-, bis- and tris-tetrazoles: synthesis and supramolecular structures","Journal of the Chemical Society, Dalton Transactions","2000","","7","1053","","10.1039/a910235n","","","0.7093","","","0.1001","0.0563","","0.159","0.1319","","","","1.111","1.126","1.126","","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009953","8.364","0.001","11.493","0.002","13.86","0.002","90","","105.812","0.002","90","","1281.9","0.3","150","","150","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C24 H28 F3 N2 O3 P Pd S -","- C24 H28 F3 N2 O3 P Pd S -","- C48 H56 F6 N4 O6 P2 Pd2 S2 -","2","0.5","","Bayler, Angela; Canty, Allan J.; Edwards, Peter G.; Skelton, Brian W.; White, Allan H.","Trimethyl-palladium(IV) and -platinum(IV) complexes containing phosphine donor ligands, including studies of 1,5,9-triethyl-1,5,9-triphosphacyclodecane and X-ray structural studies of palladium(II) and palladium(IV) complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","19","3325","","10.1039/b004741o","","","0.71073","MoKα","","0.043","0.034","","0.043","","0.042","","","1.22","","","1.279","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009955","8.914","0.011","11.821","0.014","10.167","0.013","90","","101.37","0.01","90","","1050","2","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 Cl F6 N4 P Ru S3 -","- C14 H18 Cl F6 N4 P Ru S3 -","- C28 H36 Cl2 F12 N8 P2 Ru2 S6 -","2","0.5","","Madureira, João; Santos, Teresa M.; Goodfellow, Brian J.; Lucena, Mónica; Pedrosa de Jesus, Júlio; Santana-Marques, Maria G.; Drew, Michael G. B.; Félix, Vítor","Structural characterisation of new RuII[9]aneS3 polypyridylic complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4422","","10.1039/b004752j","","","0.71073","MoKα","","0.0733","0.0478","","","0.1041","0.1131","","","","","","1.091","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7009986","5.296","0.002","15.876","0.006","10.889","0.003","90","","100.47","0.04","90","","900.3","0.6","296.2","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 Ag Cl N2 O5 -","- C17 H14 Ag Cl N2 O5 -","- C34 H28 Ag2 Cl2 N4 O10 -","2","0.5","","Maekawa, Masahiko; Konaka, Hisashi; Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu","A variety of one-, two- and three-dimensional copper(I) and silver(I) co-ordination polymers assembled by 1,4-bis(4-pyridyl)butadiyne and 1,4-bis(2-pyridyl)butadiyne","Journal of the Chemical Society, Dalton Transactions","2000","","22","4160","4166","10.1039/b005006g","","","0.7107","MoKa","","","0.0243","","","","0.0708","","","","","","1.103","","","","has coordinates","275130","2022-05-06","18:53:41",""
"7010070","10.5702","0.0008","6.6361","0.0005","14.9708","0.0011","90","","91.221","0.003","90","","1049.89","0.14","89","2","89","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","[Au(CH3OCNHCH3)2][C7Cl2NO3].CHCl3","","","- C14 H15 Au Cl5 N3 O5 -","- C14 H15 Au Cl5 N3 O5 -","- C28 H30 Au2 Cl10 N6 O10 -","2","0.5","","Jiang, Feilong; Olmstead, Marilyn M.; Balch, Alan L.","Aurophilic attractions: one cation, [Au{C(OMe)NMeH}2]+, but three different structural arrangements in the solid state salts","Journal of the Chemical Society, Dalton Transactions","2000","","22","4098","","10.1039/b005684g","","","0.71073","MoKα","","0.0196","0.018","","","0.044","0.0446","","","","","","1.059","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010306","9.1295","0.001","13.4498","0.0014","14.1424","0.0014","90","","94.488","0.009","90","","1731.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H45 Cl3 N4 P2 S2 Ti -","- C23 H37 Cl3 N4 P2 S2 Ti -","- C46 H74 Cl6 N8 P4 S4 Ti2 -","2","0.5","","Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1246","","10.1039/b007877h","","","0.71073","MoKα","","0.0684","0.048","","","0.1279","0.139","","","","","","1.084","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010307","9.108","0.001","13.416","0.002","14.113","0.002","90","","94.208","0.003","90","","1719.9","0.4","213","2","213","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H45 Cl3 N4 P2 Se2 Ti -","- C23 H46 Cl3 N4 P2 Se2 Ti -","- C46 H92 Cl6 N8 P4 Se4 Ti2 -","2","0.5","","Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1246","","10.1039/b007877h","","","0.71073","MoKα","","0.0477","0.0336","","","0.0908","0.0975","","","","","","1.044","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010389","9.3295","0.0002","16.6546","0.0004","11.1253","0.0003","90","","92.212","0.01","90","","1727.35","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C38 H27 Co2 N O4 P2 -","- C38 H27 Co2 N O4 P2 -","- C76 H54 Co4 N2 O8 P4 -","2","0.5","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0283","0.0258","","","0.0661","0.0676","","","","","","1.044","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010496","6.0068","0.0004","9.9518","0.0008","6.9936","0.0006","90","","110.472","0.005","90","","391.66","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-(mu-pyrazine dibromo zinc(II))","","- C4 H4 Br2 N2 Zn -","- C4 H4 Br2 N2 Zn -","- C8 H8 Br4 N4 Zn2 -","2","0.5","","Bourne, Susan A.; Kilkenny, Mairi; Nassimbeni, Luigi R.","One- and two-dimensional coordination polymers of zinc(II) with pyrazine. Solid state reactions and decomposition kinetics of the interconversion reactions","Journal of the Chemical Society, Dalton Transactions","2001","","8","1176","","10.1039/b009771n","","","0.7107","MoKα","","0.0758","0.0677","","","0.1739","0.1864","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010520","10.4639","0.0016","16.376","0.003","11.9344","0.0016","90","","112.986","0.01","90","","1882.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","4 Rh6(CO)15(P(4-FC6H4)3)","","","- C33 H12 F3 O15 P Rh6 -","- C33 H12 F3 O15 P Rh6 -","- C66 H24 F6 O30 P2 Rh12 -","2","0.5","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.0489","0.0329","","","0.0684","0.074","","","","","","1.148","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010637","7.34","0.0007","10.2514","0.0008","10.873","0.001","90","","96.5","0.01","90","","812.88","0.13","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dinatrium trihydrogentriphosphide-ammonia(1/8)","","- H27 N8 Na2 P3 -","- H27 N8 Na2 P3 -","- H54 N16 Na4 P6 -","2","0.5","","Korber, Nikolaus; Aschenbrenner, Jürgen","The first catena-trihydrogen triphosphide: synthesis and crystal structure of [Na(NH3)5][Na(NH3)3(P3H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","8","1165","","10.1039/b101533h","","","0.71073","MoKα","","0.0455","0.0315","","","0.0745","0.0787","","","","","","1.008","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010951","6.2647","0.0005","36.486","0.003","7.7255","0.0006","90","","108.976","0.002","90","","1669.9","0.2","294","2","294","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","(Me3NEt)[Pd(dmit)2]2)","","","- C17 H14 N Pd2 S20 -","- C17 H14 N Pd2 S20 -","- C34 H28 N2 Pd4 S40 -","2","0.5","","Fang Qi; Thomas C. W. Mak; Zhou Zhong-Yuan; Yang Qing-Chuan; Liu Zhi; Yu Wen-Tao; Zhu Dao-Ben; Jiang Min-Hua","Syntheses and crystal structures of the molecular conductors Z[Pd(dmit)2]2{Z = (Me3NEt)+, (MeNEt3)+, (NEt4)+} and their precursors Z2[Pd(dmit)2]","J. Chem. Soc., Dalton Trans.","2002","","7","1377","1385","10.1039/b105854c","","","0.71073","MoKα","","0.047","0.0404","","","0.0989","0.1022","","","","","","1.178","","","","has coordinates,has disorder","210234","2020-10-21","18:00:00",""
"7011243","11.34","0.0003","15.226","0.0005","12.664","0.0005","90","","114.191","0.0013","90","","1994.58","0.12","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H30 Ga2 O14 Rh6 -","- C34 H30 Ga2 O14 Rh6 -","- C68 H60 Ga4 O28 Rh12 -","2","0.5","","Elena V. Grachova; Peter Jutzi; Beate Neumann; Lars O. Schebaum; Hans-Georg Stammler; Sergey P. Tunik","Unusual selective substitution of triply bridging carbonyl ligands for GaCp* in Rh6(CO)16. Synthesis and structural characterization of the Rh6(μ3-CO)4 −x(μ3-GaCp*)x(CO)12 clusters, x = 1‒4","J. Chem. Soc., Dalton Trans.","2002","","3","302","304","10.1039/b109327d","","","0.71073","MoKα","","0.0577","0.0319","","","0.0653","0.0727","","","","","","1.004","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011262","7.138","0.0002","22.954","0.0006","17.706","0.0004","90","","94.89","0.0013","90","","2890.49","0.13","170","2","170","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H28 N4 S6 Sn -","- C24 H28.5 N4 S6 Sn -","- C96 H114 N16 S24 Sn4 -","4","1","","Vasile Berceanc; Crina Crainic; Ionel Haiduc; Mary F. Mahon; Kieran C. Molloy; Monica M. Venter; Paul J. Wilson","The structural chemistry of organotin derivatives of 5-mercapto-3-phenyl-1,3,4-thiadiazoline-2-thione: supramolecular structures involving intermolecular SnS, N‒HS or SS interactions","J. Chem. Soc., Dalton Trans.","2002","","6","1036","1045","10.1039/b109726a","","","0.71069","MoKα","","0.0707","0.0404","","","0.1188","0.1446","","","","","","0.802","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011675","12.489","0.0005","15.8629","0.0007","14.0309","0.0006","90","","105.818","0.001","90","","2674.4","0.2","142.2","","142.2","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C62 H78 Co N4 -","- C53 H74 Co0.5 N3 -","- C106 H148 Co N6 -","2","0.5","","Schmidt, Joseph A. R.; Arnold, John","First-row transition metal complexes of sterically-hindered amidinates","Journal of the Chemical Society, Dalton Transactions","2002","","18","3454","","10.1039/b202737m","","","0.7107","MoKα","","0.0809","0.0396","","0.0493","0.0422","0.0422","","","","","","1.209","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011676","12.459","0.0009","15.941","0.001","14.07","0.001","90","","105.396","0.001","90","","2694.1","0.3","193.2","","193.2","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C62 H78 N4 Ni -","- C53 H74 N3 Ni0.5 -","- C106 H148 N6 Ni -","2","0.5","","Schmidt, Joseph A. R.; Arnold, John","First-row transition metal complexes of sterically-hindered amidinates","Journal of the Chemical Society, Dalton Transactions","2002","","18","3454","","10.1039/b202737m","","","0.7107","MoKα","","0.062","0.0347","","","0.041","0.041","","","","","","1.373","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011837","8.698","0.002","14.618","0.004","9.613","0.002","90","","99.01","0.02","90","","1207.2","0.5","296.2","","296.2","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H41 Cl2 O P Ru -","- C21 H41 Cl2 O P Ru -","- C42 H82 Cl4 O2 P2 Ru2 -","2","0.5","","Baldwin, Richard; Bennett, Martin A.; Hockless, David C. R.; Pertici, Paolo; Verrazzani, Alessandra; Uccello Barretta, Gloria; Marchetti, Fabio; Salvadori, Piero","Synthesis, structures and dynamic NMR spectra of ??6-hexaethylbenzene complexes of ruthenium(0) and ruthenium(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","23","4488","","10.1039/b204875m","","","0.7107","MoKα","","","0.028","","","","0.024","","","","","","3.37","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012065","9.8072","0.0004","15.1468","0.0006","10.8128","0.0005","90","","102.933","0.002","90","","1565.47","0.12","173","2","173","2","","","","","","","synthesized by authors","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H47 As Li2 N2 O3 Se -","- C26 H48 As Li2 N2 O3 Se -","- C52 H96 As2 Li4 N4 O6 Se2 -","2","0.5","","Briand, Glen G.; Chivers, Tristram; Parvez, Masood","A novel route to chalcogenides of heavy pnicogens: synthesis and X-ray structure of {(THF)3Li2[PhAs(Se)(NBut)2]}","Journal of the Chemical Society, Dalton Transactions","2002","","20","3785","","10.1039/b207302a","","","0.71073","MoKα","","0.0848","0.053","","","0.1197","0.1401","","","","","","0.988","","","","has coordinates,has disorder","179824","2020-10-21","18:00:00",""
"7012197","8.008","0.002","13.97","0.004","8.963","0.002","90","0.02","100.19","0.02","90","0.018","986.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H22 B Cl2 N6 O W -","- C15 H22 B Cl2 N6 O W -","- C30 H44 B2 Cl4 N12 O2 W2 -","2","0.5","","Keira M. Stobie; Zöe R. Bell; Thomas W. Munhoven; John P. Maher; Jon A. McCleverty; Michael D. Ward; Eric J. L. McInnes; Federico Totti; Dante Gatteschi","Mono- and di-nuclear tris(pyrazolyl)borato-oxo-tungsten(V) complexes with phenolate ligands: syntheses and structures, and magnetic, electrochemical and UV/Vis/NIR spectroscopic properties","Dalton Trans.","2003","","1","36","45","10.1039/b208397c","","","0.71073","MoKα","","0.0712","0.0555","","","0.1181","0.125","","","","","","1.116","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7012498","10.275","0.002","9.314","0.002","12.17","0.002","90","","91.03","0.03","90","","1164.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H29 Cl2 N5 Ni O8 -","- C16 H29 Cl2 N5 Ni O8 -","- C32 H58 Cl4 N10 Ni2 O16 -","2","0.5","","Herrera, Aida M.; Staples, Richard J.; Kryatov, Sergey V.; Nazarenko, Alexander Y.; Rybak-Akimova, Elena V.","Nickel(ii) and copper(ii) complexes with pyridine-containing macrocycles bearing an aminopropyl pendant arm: synthesis, characterization, and modifications of the pendant amino groupElectronic supplementary information (ESI) available: colour versions of Figs. 4, 5 and 7. See http://www.rsc.org/suppdata/dt/b2/b211489e/","Dalton Transactions","2003","","5","846","","10.1039/b211489e","","","0.71069","MoKα","","0.0992","0.0605","","","0.1737","0.2038","","","","","","1.031","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012738","7.5876","0.0011","21.728","0.003","9.1261","0.0012","90","","92.69","0.005","90","","1502.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[Ni3Br6(thf)5]","","","- C20 H40 Br6 Ni3 O5 -","- C20 H40 Br6 Ni3 O5 -","- C40 H80 Br12 Ni6 O10 -","2","0.5","","Hitchcock, Peter B.; Lee, Ting Huei; Leigh, G. Jeffery","The synthesis and properties of a new linear NPN proligand","Dalton Transactions","2003","","11","2276","","10.1039/b300596h","","","0.71073","MoKα","","0.0926","0.0698","","","0.1768","0.1893","","","","","","1.137","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013011","9.3526","0.0006","19.746","0.002","10.4848","0.0006","90","","112.124","0.005","90","","1793.7","0.2","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C39 H56 Mg N2 O -","- C39 H57 Mg N2 O -","- C78 H114 Mg2 N4 O2 -","2","0.5","","Dove, Andrew P.; Gibson, Vernon C.; Hormnirun, Pimpa; Marshall, Edward L.; Segal, John A.; White, Andrew J. P.; Williams, David J.","Low coordinate magnesium chemistry supported by a bulky ?-diketiminate ligand","Dalton Transactions","2003","","15","3088","","10.1039/b303550f","","","1.54178","CuKα","","0.076","0.0567","","0.1604","0.1421","","","","1.044","1.083","1.083","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013360","5.8848","0.0015","9.212","0.002","7.0781","0.0018","90","","113.879","0.004","90","","350.86","0.15","150","","150","","","","","","","","?","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H12 Ga P -","- C3 H12 Ga P -","- C6 H24 Ga2 P2 -","2","0.5","","Tang, Christina Y.; Coxall, Robert A.; Downs, Anthony J.; Greene, Tim M.; Kettle, Lorna; Parsons, Simon; Rankin, David W. H.; Robertson, Heather E.; Turner, Andrew R.","Molecular structure of trimethylphosphine?gallane, Me3P�GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studiesElectronic supplementary information (ESI) available: Cartesian coordinates and least squares correlation matrix for Me3P�GaH3. See http://www.rsc.org/suppdata/dt/b3/b306736j/","Dalton Transactions","2003","","18","3526","","10.1039/b306736j","","","0.71073","MoKα","","0.0242","0.0226","","0.0589","0.0574","0.0575","","","","","","1.0359","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013664","11.0528","0.0001","22.6688","0.0002","12.118","0.0002","90","","96.0427","0.0004","90","","3019.34","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Tetracollidinium N-ethylpyridinium octaoxotetrasquaratotetramolybdate(V) bromide","Tetracollidinium N-ethylpyridinium octaoxotetrasquaratotetramolybdate(V) bromide","","- C55 H58 Br Mo4 N5 O24 -","- C55 H58 Br Mo4 N5 O24 -","- C110 H116 Br2 Mo8 N10 O48 -","2","0.5","","Barbara Modec; Jurij V. Brenčič; Eric M. Burkholder; Jon Zubieta","Novel molybdenum(V) squarato complexes based on the dinuclear metal‒metal bonded unit: syntheses and structural characterization of dinuclear [Mo2O4(C4O4)(R-Py)4] and tetranuclear [Mo4O8(C4O4)4]4−","Dalton Trans.","2003","","24","4618","4625","10.1039/b311348e","","","0.71073","MoKα","","0.0301","0.0255","","","0.0637","0.0665","","","","","","1.072","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7014176","9.118","0.001","11.388","0.002","9.232","0.001","90","","95.11","0.01","90","","954.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H18 F10 N6 S -","- C12 H18 F10 N6 S -","- C24 H36 F20 N12 S2 -","2","0.5","","Kingston, Melanie; Chen, Shan-Jia; Lork, Enno; Mews, Rüdiger","Anionic triazine systems.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1400","1404","10.1039/b402527j","","","0.71073","MoKα","","0.1109","0.0813","","","0.2249","0.2504","","","","","","1.046","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014607","6.9376","0.001","12.5405","0.0018","7.7025","0.0011","90","","101.873","0.002","90","","655.79","0.16","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 F O2 W -","- C13 H15 F O2 W -","- C26 H30 F2 O4 W2 -","2","0.5","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","47","55","10.1039/c0dt01006e","","","0.71073","MoKα","","0.0206","0.0193","","","0.0458","0.0466","","","","","","1.022","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014760","9.4073","0.0007","6.303","0.0005","10.1518","0.001","90","","108.929","0.009","90","","569.39","0.09","140","1","140","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Compound 7","","","- C10 H3 F4 I N2 O2 -","- C10 H3 F4 I N2 O2 -","- C20 H6 F8 I2 N4 O4 -","2","0.5","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.0786","0.0566","","","0.1159","0.1228","","","","","","1.063","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7015225","8.0003","0.0019","8.957","0.002","12.129","0.003","90","","102.276","0.005","90","","849.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H18 Br2 N4 O3 Pt S -","- C11 H18 Br2 N4 O3 Pt S -","- C22 H36 Br4 N8 O6 Pt2 S2 -","2","0.5","","Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy","N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4402","4406","10.1039/c0dt01380c","","","0.71073","MoKα","","0.0647","0.0544","","","0.1434","0.1499","","","","","","1.016","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015538","4.498","0.0003","20.577","0.0014","13.6962","0.0009","90","","96.193","0.006","90","","1260.26","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 N6 Ni S4 -","- C19 H19 N6 Ni S4 -","- C38 H38 N12 Ni2 S8 -","2","0.5","","Duan, Hai-Bao; Ren, Xiao-Ming; Shen, Lin-Jiang; Jin, Wan-Qin; Meng, Qing-Jin; Tian, Zheng-Fang; Zhou, Shi-Ming","A low-dimensional molecular spin system with two steps of magnetic transitions and liquid crystal property.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3622","3630","10.1039/c0dt01704c","","","1.54184","CuKα","","0.0719","0.0718","","","0.1827","0.1827","","","","","","1.435","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015591","5.971","0.01","6.273","0.009","9.132","0.015","90","","107.75","0.02","90","","325.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- B Bi Pb S4 -","- B Bi Pb S4 -","- B2 Bi2 Pb2 S8 -","2","0.5","","Geng, Lei; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Ye-Yu; Luo, Zhong-Zhen; Zhang, Hao; Lin, Chen-Sheng; He, Zhang-Zhen","Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4474","4479","10.1039/c0dt01751e","","","0.71073","MoKα","","0.043","0.0355","","","0.0755","0.0791","","","","","","1.141","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015592","5.9532","0.0018","6.2031","0.0013","9.25","0.003","90","","108.2","0.016","90","","324.5","0.16","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- B Pb S4 Sb -","- B Pb S4 Sb -","- B2 Pb2 S8 Sb2 -","2","0.5","","Geng, Lei; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Ye-Yu; Luo, Zhong-Zhen; Zhang, Hao; Lin, Chen-Sheng; He, Zhang-Zhen","Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4474","4479","10.1039/c0dt01751e","","","0.71073","MoKα","","0.0455","0.0373","","","0.0778","0.0828","","","","","","1.124","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015942","9.6367","0.0018","27.216","0.005","11.094","0.002","90","","91.654","0.003","90","","2908.4","0.9","200","2","200","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C50.5 H57.5 Ag Cl7.5 F3 N3 O3 S -","- C50.5 H57.5 Ag Cl7.5 F3 N3 O3 S -","- C101 H115 Ag2 Cl15 F6 N6 O6 S2 -","2","0.5","","Jurca, Titel; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","Novel pincer complexes of Ag(I), coordination of toluene and their comparison with indium analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4394","4396","10.1039/c1dt10411j","","","0.71073","MoKα","","0.1505","0.0811","","","0.1666","0.193","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015947","8.7926","0.001","14.589","0.002","11.1433","0.001","90","","106.534","0.008","90","","1370.3","0.3","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","tricarbonyl(bis[(2-dimethylstibino)benzyl]sulfide)manganese(I) trifluoromethanesulfonate","","- C22 H24 F3 Mn O6 S2 Sb2 -","- C22 H24 F3 Mn O6 S2 Sb2 -","- C44 H48 F6 Mn2 O12 S4 Sb4 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid dibismuthines and distibines as ligands towards transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6565","6574","10.1039/c1dt10447k","","","0.71073","MoKα","","0.0274","0.0247","","","0.0573","0.0589","","","","","","1.098","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7016079","9.3964","0.0006","7.743","0.0005","12.5316","0.0007","90","","104.757","0.001","90","","881.68","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","(Ethoxy-(benzo(b)thien-2-yl)-methylidene)-(pentacarbonyl)- tungsten","(Ethoxy-(benzo[b]thien-2-yl)-methylidene)-(pentacarbonyl)-tungsten","","- C16 H10 O6 S W -","- C16 H10 O6 S W -","- C32 H20 O12 S2 W2 -","2","0.5","","Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.","Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6711","6721","10.1039/c1dt10183h","","","0.71073","MoKα","","0.0244","0.0237","","","0.0618","0.063","","","","","","1.083","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016103","9.2536","0.001","7.6218","0.0011","12.375","0.0011","90","","97.059","0.002","90","","866.18","0.17","296","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 Br2 N2 Zn -","- C16 H18 Br2 N2 Zn -","- C32 H36 Br4 N4 Zn2 -","2","0.5","","Saha Roy, Amit; Saha, Pinaki; Mitra, Partha; Sundar Maity, Shyam; Ghosh, Sanjib; Ghosh, Prasanta","Unsymmetrical diimine chelation to M(ii) (M = Zn, Cd, Pd): atropisomerism, pi-pi stacking and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7375","7384","10.1039/c1dt10270b","","","0.71073","MoKα","","0.0306","0.0281","","","0.0726","0.0738","","","","","","1.133","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016247","7.22","0.005","10.652","0.008","8.821","0.006","90","","113.024","0.012","90","","624.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H14 B9 Co P2 -","- C5 H14 B9 Co P2 -","- C10 H28 B18 Co2 P4 -","2","0.5","","McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.","New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7181","7192","10.1039/c1dt10540j","","","0.71073","MoKα","","0.0474","0.0449","","","0.109","0.1104","","","","","","1.026","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7017023","10.735","0.005","7.029","0.005","13.608","0.005","90","0.005","109.139","0.005","90","0.005","970.1","0.9","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H19 Au N5 P S -","- C12 H19 Au N5 P S -","- C24 H38 Au2 N10 P2 S2 -","2","0.5","","Vergara, Elena; Cerrada, Elena; Clavel, Catherine; Casini, Angela; Laguna, Mariano","Thiolato gold(i) complexes containing water-soluble phosphane ligands: a characterization of their chemical and biological properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10927","10935","10.1039/c1dt10892a","","","0.71069","MoKα","","0.0515","0.0369","","","0.0811","0.0832","","","","","","0.97","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017276","7.522","0.0008","6.6202","0.0007","11.1582","0.0012","90","","108.875","0.004","90","","525.77","0.1","120","2","120","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","AS-15 2-(4-tolyl)-2,4-pentanedione","","- C12 H14 O2 -","- C12 H14 O2 -","- C24 H28 O4 -","2","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0668","0.0551","","","0.1829","0.1972","","","","","","1.377","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017377","7.3756","0.0002","10.4597","0.0003","8.3592","0.0002","90","","95.8421","0.0017","90","","641.53","0.03","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H13 Cl N2 O4 Pd -","- C8 H13 Cl N2 O4 Pd -","- C16 H26 Cl2 N4 O8 Pd2 -","2","0.5","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Chiral phosphinoferrocene carboxamides with amino acid substituents as ligands for Pd-catalysed asymmetric allylic substitutions. Synthesis and structural characterisation of catalytically relevant Pd complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11748","11757","10.1039/c1dt11230a","","","0.71073","MoKα","","0.018","0.0176","","","0.0442","0.0445","","","","","","1.126","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017397","10.7177","0.0004","18.7454","0.0006","10.9784","0.0004","90","","99.288","0.002","90","","2176.73","0.13","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C46 H69 N O4 V -","- C47 H70 N O4 V -","- C94 H140 N2 O8 V2 -","2","0.5","","Kajiwara, Takashi; Wagner, Rita; Bill, Eckhard; Weyhermüller, Thomas; Chaudhuri, Phalguni","Non-oxo 5-coordinate and 6-coordinate vanadium(iv) complexes with their precursor [LV(III)(CH(3)OH)](0), where L = a trianionic aminetris(phenolate)-[N,O,O,O] donor ligand: a magnetostructural and EPR study.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12719","12726","10.1039/c1dt11277e","","","0.71073","MoKα","","0.074","0.0671","","","0.1757","0.1805","","","","","","1.062","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017724","5.6358","0.0009","12.4946","0.0015","7.1516","0.0013","90","","105.634","0.014","90","","484.96","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cd N4 S2 -","- C6 H4 Cd N4 S2 -","- C12 H8 Cd2 N8 S4 -","2","0.5","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.0526","0.0355","","","0.0595","0.0636","","","","","","1.065","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017957","5.4128","0.001","8.1739","0.0014","7.5436","0.0017","90","","94.599","0.018","90","","332.68","0.11","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ag F O3 S -","- Ag F O3 S -","- Ag4 F4 O12 S4 -","4","1","","Grochala, Wojciech; Cyrański, Michał Ksawery; Derzsi, Mariana; Michałowski, Tomasz; Malinowski, Przemysław J; Mazej, Zoran; Kurzydłowski, Dominik; Koźmiński, Wiktor; Budzianowski, Armand; Leszczyński, Piotr J","Crystal and electronic structure, lattice dynamics and thermal properties of Ag(i)(SO(3))R (R = F, CF(3)) Lewis acids in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2034","2047","10.1039/c1dt11747e","","","0.71073","MoKα","","0.0625","0.0611","","","0.167","0.1688","","","","","","1.131","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7018416","5.606","0.003","6.83","0.004","11.891","0.007","90","","99.379","0.007","90","","449.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cu N6 O2 -","- C6 H4 Cu N6 O2 -","- C12 H8 Cu2 N12 O4 -","2","0.5","","Wriedt, Mario; Zhou, Hong-Cai Joe","Systematic investigations on magneto-structural correlations of copper(ii) coordination polymers based on organic ligands with mixed carboxylic and nitrogen-based moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4207","4216","10.1039/c2dt11965j","","","0.71073","MoKα","","0.0534","0.0442","","","0.1002","0.1044","","","","","","1.097","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018465","9.3053","0.0005","7.3774","0.0004","11.0119","0.0007","90","","91.544","0.003","90","","755.68","0.08","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H21 Ag N2 O2 -","- C15 H21 Ag N2 O2 -","- C30 H42 Ag2 N4 O4 -","2","0.5","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0769","0.0559","","","0.1534","0.1776","","","","","","1.104","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018598","11.561","0.0014","14.8174","0.0013","11.6201","0.0014","90","","112.376","0.013","90","","1840.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Rubidium-dimolybdenum(II)-penta(trifluormethanesulfonate)- trifluormethanesulfonic acid","","","- C7 H F21 Mo2 O21 Rb S7 -","- C7 H2 F21 Mo2 O21 Rb S7 -","- C14 H4 F42 Mo4 O42 Rb2 S14 -","2","0.5","","Neuschulz, Kai; Penning, Miriam; Groß, Lynn; Klüner, Thorsten; Wickleder, Mathias S.","Opening the paddlewheel: unusual coordination of [Mo(2)] dumbbells in the chain structures of A[Mo(2)(CF(3)SO(3))(5)]·2CF(3)SO(3)H (A = Na, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4685","4691","10.1039/c2dt12196d","","x-ray","0.71073","MoKα","","0.1075","0.035","","","0.0496","0.0572","","","","","","0.594","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018599","11.584","0.0012","14.9472","0.0008","11.7437","0.0013","90","","113.476","0.012","90","","1865.1","0.3","153","2","153","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Cesium-dimolybdenum(II)-penta(trifluormethanesulfonate)- trifluormethanesulfonic acid","","","- C7 H2 Cs F21 Mo2 O21 S7 -","- C7 H2 Cs F21 Mo2 O21 S7 -","- C14 H4 Cs2 F42 Mo4 O42 S14 -","2","0.5","","Neuschulz, Kai; Penning, Miriam; Groß, Lynn; Klüner, Thorsten; Wickleder, Mathias S.","Opening the paddlewheel: unusual coordination of [Mo(2)] dumbbells in the chain structures of A[Mo(2)(CF(3)SO(3))(5)]·2CF(3)SO(3)H (A = Na, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4685","4691","10.1039/c2dt12196d","","x-ray","0.71073","MoKα","","0.0596","0.0268","","","0.0485","0.0525","","","","","","0.728","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018637","6.8884","0.0004","10.1248","0.0005","7.7647","0.0004","90","","100.889","0.001","90","","531.79","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H16 B Fe N -","- C11 H16 B Fe N -","- C22 H32 B2 Fe2 N2 -","2","0.5","","Brunker, Tim J.; Kovač, Branka; Kowalski, Konrad; Polit, Walther; Winter, Rainer F.; Rheingold, Arnold L.; Novak, Igor","Electronic structures of methylated azaferrocenes and their borane adducts: Photoelectron spectroscopy and electronic structure calculations.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3675","3683","10.1039/c2dt12237e","","","0.71073","MoKα","","0.0187","0.0183","","","0.0508","0.051","","","","","","1.145","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018800","9.807","0.0001","24.4502","0.0003","12.8128","0.0002","90","","104.704","0.002","90","","2971.68","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C62 H51 Cl2 N10 O2 P2 Ru -","- C62 H50 Cl2 N10 O2 P2 Ru -","- C124 H100 Cl4 N20 O4 P4 Ru2 -","2","0.5","","Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Lee, Gene-Hsiang; Peng, Shie-Ming; Yiu, Shek-Man; Gao, Song; Lau, Tai-Chu","A novel triazidoruthenium(iii) building block for the construction of polynuclear compounds","Dalton Transactions","2012","41","19","5794","","10.1039/c2dt11810f","","","1.54178","CuKα","","0.0602","0.0564","","","0.1711","0.1741","","","","","","1.09","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7019205","7.3757","0.0015","6.7764","0.0014","8.5456","0.0017","90","","114.26","0.03","90","","389.4","0.16","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 Mo N2 O6 -","- C3 H6 Mo N2 O6 -","- C6 H12 Mo2 N4 O12 -","2","0.5","","Herbert, Matthew; Montilla, Francisco; Alvarez, Eleuterio; Galindo, Agustín","New insights into the mechanism of oxodiperoxomolybdenum catalysed olefin epoxidation and the crystal structures of several oxo-peroxo molybdenum complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6942","6956","10.1039/c2dt12284g","","","0.71073","MoKα","","0.0147","0.0143","","","0.0393","0.0398","","","","","","1.227","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019739","15.293","0.0002","25.0465","0.0004","19.1113","0.0003","90","","92.597","0.001","90","","7312.8","0.19","89","2","89","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C108 H106 Br1.4 Cl14.46 N10 O29 Sb12 Sr0.14 Zn4.86 -","- C108 H96 Br1.4 Cl14.46 N10 O29 Sb12 Sr0.14 Zn4.86 -","- C216 H192 Br2.8 Cl28.92 N20 O58 Sb24 Sr0.28 Zn9.72 -","2","0.5","","Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania","Isopolyoxometalates derived from arylstibonic acids with ""reverse-Keggin ion"" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9964","9970","10.1039/c2dt30341h","","","0.71073","MoKα","","0.0666","0.0496","","","0.132","0.1415","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019864","8.1544","0.0011","3.8812","0.0005","10.6224","0.0014","90","","97.435","0.002","90","","333.36","0.08","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Hf Se3 Tl2 -","- Hf Se3 Tl2 -","- Hf2 Se6 Tl4 -","2","0.5","","Sankar, Cheriyedath Raj; Kuropatwa, Bryan A.; Assoud, Abdeljalil; Kleinke, Holger","Structures and properties of the ternary thallium chalcogenides Tl(2)MQ(3) (M = Zr, Hf; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9646","9650","10.1039/c2dt30782k","","","0.71073","MoKα","","0.0453","0.0421","","","0.1245","0.1284","","","","","","1.172","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019865","7.9159","0.001","3.7651","0.0005","10.2756","0.0013","90","","97.476","0.002","90","","303.65","0.07","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- S3 Tl2 Zr -","- S3 Tl2 Zr -","- S6 Tl4 Zr2 -","2","0.5","","Sankar, Cheriyedath Raj; Kuropatwa, Bryan A.; Assoud, Abdeljalil; Kleinke, Holger","Structures and properties of the ternary thallium chalcogenides Tl(2)MQ(3) (M = Zr, Hf; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9646","9650","10.1039/c2dt30782k","","","0.71073","MoKα","","0.036","0.0269","","","0.0519","0.0589","","","","","","1.1","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7020017","9.689","0.002","14.871","0.003","14.223","0.003","90","","99.352","0.003","90","","2022.1","0.7","90","0.1","90","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C47 H38 Cl2 O4 P2 Ru -","- C47 H38 Cl2 O4 P2 Ru -","- C94 H76 Cl4 O8 P4 Ru2 -","2","0.5","","Wu, Adam; Patrick, Brian O.; Chung, Enoch; James, Brian R.","Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11093","11106","10.1039/c2dt31065a","","","0.71073","MoKα","","0.0363","0.0313","","","0.0806","0.0831","","","","","","1.042","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020051","9.013","0.004","6.214","0.002","9.527","0.006","90","","116.29","0.04","90","","478.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 Cl2 Cu N4 -","- C7 H6 Cl2 Cu N4 -","- C14 H12 Cl4 Cu2 N8 -","2","0.5","","Cañellas, Pablo; Bauzá, Antonio; García-Raso, Angel; Fiol, Juan J.; Deyà, Pere M; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11161","11169","10.1039/c2dt31162c","","x-ray","0.71073","MoKα","","0.0288","0.0235","","","0.0655","0.0684","","","","","","1.095","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020063","5.7898","0.0003","14.9314","0.0007","7.0531","0.0003","90","","101.949","0.003","90","","596.53","0.05","233","2","233","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","barium 5,5-azoxybistetrazolate pentahydrate","","","- C2 H10 Ba N10 O6 -","- C2 H10 Ba N10 O6 -","- C4 H20 Ba2 N20 O12 -","2","0.5","","Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig","5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11201","11211","10.1039/c2dt31217d","","","0.71073","MoKα","","0.0177","0.0169","","","0.0392","0.0395","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020151","12.037","0.004","18.567","0.006","17.116","0.005","90","","102.077","0.005","90","","3741","2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10.25 H29.25 B20 Cu2 N0.75 O10.75 -","- C10.25 H29.25 B20 Cu2 N0.75 O10.75 -","- C41 H117 B80 Cu8 N3 O43 -","4","1","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.1436","0.075","","","0.1861","0.2118","","","","","","0.888","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020216","6.804","0.003","10.725","0.005","9.969","0.005","90","","99.156","0.007","90","","718.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tetrachloro(1,2-bis(methylseleno)benzene-Se,Se')tellurium(IV)","","- C8 H10 Cl4 Se2 Te -","- C8 H10 Cl4 Se2 Te -","- C16 H20 Cl8 Se4 Te2 -","2","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0452","0.0337","","","0.0799","0.0841","","","","","","1.092","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020460","8.01","0.002","6.8872","0.0018","8.569","0.002","90","","108.232","0.005","90","","448.99","0.19","223","2","223","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H11 Fe O5 -","- C8 H11 Fe O5 -","- C16 H22 Fe2 O10 -","2","0.5","","Zheng, Yan-Zhen; Chen, Xiao-Ming","Incorporation of spin-5/2 chain into 2D network with conformational pure e,a-cis-cyclohexane-1,4-dicarboxylato linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11989","11991","10.1039/c2dt31613g","","","0.71073","MoKα","","0.048","0.038","","","0.0848","0.0895","","","","","","1.038","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020635","13.3751","0.0008","32.7892","0.0018","14.0292","0.0008","90","","116.633","0.001","90","","5499.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C95.6 H128.4 F12 N12 O18.6 Rh4 S4 -","- C87.6 H107.4 F12 N12 O16.6 Rh4 S4 -","- C175.2 H214.8 F24 N24 O33.2 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","0.71073","MoKα","","0.0773","0.0496","","","0.1281","0.1395","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021120","6.8143","0.0005","6.8092","0.0004","12.6802","0.0009","90","","92.987","0.003","90","","587.56","0.07","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H8 N3 O5 S V -","- C9 H8 N3 O5 S V -","- C18 H16 N6 O10 S2 V2 -","2","0.5","","Prasad, Puja; Khan, Imran; Sasmal, Pijus K.; Koley, Debasis; Kondaiah, Paturu; Chakravarty, Akhil R.","Planar triazinium cations from vanadyl-mediated ring cyclizations: the thiazole species for efficient nuclear staining and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4436","4449","10.1039/c2dt32810k","","","0.71073","MoKα","","0.0467","0.0373","","","0.1066","0.1131","","","","","","1.066","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021205","9.5803","0.0006","7.6532","0.0005","9.6551","0.0006","90","","98.737","0.003","90","","699.7","0.08","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pentacarbonyl(ethoxy-thiophenyl-methylidene)chromium","","- C12 H8 Cr O6 S -","- C12 H8 Cr O6 S -","- C24 H16 Cr2 O12 S2 -","2","0.5","","van der Westhuizen, Belinda; Swarts, Pieter J; Strydom, Ian; Liles, David C; Fernández, Israel; Swarts, Jannie C; Bezuidenhout, Daniela I","Electrochemical illumination of thienyl and ferrocenyl chromium(0) Fischer carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5367","5378","10.1039/c3dt32913e","","","0.71073","MoKα","","0.0861","0.0787","","","0.2325","0.2371","","","","","","1.199","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021579","6.7742","0.001","15.937","0.003","8.1168","0.0014","90","","113.16","0.01","90","","805.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H4 Gd Na O17 -","- C10 H4 Gd Na O17 -","- C20 H8 Gd2 Na2 O34 -","2","0.5","","Goswami, Soumyabrata; Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","Lanthanide based coordination polymers chill, relax under magnetic field and also fluoresce.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9813","9817","10.1039/c3dt51195b","","","0.71073","MoKα","","0.0171","0.0166","","","0.0416","0.0419","","","","","","1.099","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021580","6.8297","0.0009","16.024","0.003","8.149","0.0013","90","","113.076","0.009","90","","820.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H4 Na Nd O17 -","- C10 H4 Na Nd O17 -","- C20 H8 Na2 Nd2 O34 -","2","0.5","","Goswami, Soumyabrata; Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","Lanthanide based coordination polymers chill, relax under magnetic field and also fluoresce.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9813","9817","10.1039/c3dt51195b","","","0.71073","MoKα","","0.0346","0.0337","","","0.1195","0.1204","","","","","","1.067","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021581","6.7395","0.0005","15.8784","0.0014","8.0974","0.0006","90","","113.127","0.005","90","","796.89","0.11","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H4 Dy Na O17 -","- C10 H4 Dy Na O17 -","- C20 H8 Dy2 Na2 O34 -","2","0.5","","Goswami, Soumyabrata; Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","Lanthanide based coordination polymers chill, relax under magnetic field and also fluoresce.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9813","9817","10.1039/c3dt51195b","","","0.71073","MoKα","","0.0162","0.016","","","0.0353","0.0354","","","","","","1.064","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021672","11.121","0.0008","24.367","0.0009","11.171","0.0007","90","","119.258","0.009","90","","2641","0.4","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C54 H82 N6 Ti2 -","- C54 H82 N6 Ti2 -","- C108 H164 N12 Ti4 -","2","0.5","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0992","0.084","","","0.2023","0.2081","","","","","","1.172","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021701","9.931","0.005","14.531","0.007","10.807","0.005","90","","97.59","0.02","90","","1545.9","1.3","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C25 H48 Cl N12 O P4 Rh -","- C25 H48 Cl N12 O P4 Rh -","- C50 H96 Cl2 N24 O2 P8 Rh2 -","2","0.5","","Smoleński, Piotr; Kirillova, Marina V.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Isomerisation and controlled condensation in an aqueous medium of allyl alcohol catalysed by new water-soluble rhodium complexes with 1,3,5-triaza-7-phosphaadamantane (PTA).","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10867","10874","10.1039/c3dt50992c","","","0.71073","MoKα","","0.1969","0.0734","","","0.1724","0.2629","","","","","","0.948","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7022081","5.6722","0.0003","7.6992","0.0006","6.8143","0.0005","90","","109.733","0.004","90","","280.11","0.03","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F4 H Mn Na2 O3 P -","- F4 H Mn Na2 O3 P -","- F8 H2 Mn2 Na4 O6 P2 -","2","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71073","MoKα","","0.0692","0.0502","","","0.0895","0.0978","","","","","","1.141","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022151","7.315","0.001","18.345","0.002","9.067","0.001","90","","109.02","0.01","90","","1150.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H14 Au I3 N2 S4 -","- C16 H14 Au I3 N2 S4 -","- C32 H28 Au2 I6 N4 S8 -","2","0.5","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito","Gold oxidative dissolution by (thioamide)-I2 adducts.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","492","498","10.1039/c2dt31855e","","","0.71073","MoKα","","0.0641","0.0487","","","0.1154","0.1187","","","","","","0.842","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022615","11.6029","0.0004","12.1947","0.0005","12.0513","0.0005","90","","103.988","0.002","90","","1654.62","0.11","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","compound 3c","","","- C23 H28 O8 Ru3 Si3 -","- C23.0004 H29 O8 Ru3 Si3 -","- C46.0008 H58 O16 Ru6 Si6 -","2","0.5","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.1368","0.0542","","","0.1227","0.158","","","","","","0.91","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022772","8.754","0.003","15.23","0.004","9.254","0.003","90","","91.453","0.006","90","","1233.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","bisaqua-1,4,7,10,13,16-hexaoxacyclooctadecane-lead(II) bis(hexafluorophosphate) hydrate","","- C12 H28.4 F12 O8.2 P2 Pb -","- C12 H24 F12 O8.2 P2 Pb -","- C24 H48 F24 O16.4 P4 Pb2 -","2","0.5","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0756","0.0627","","","0.1411","0.15","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022962","7.6117","0.0007","8.5326","0.0007","10.9273","0.0009","90","","101.601","0.0013","90","","695.21","0.1","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H8 Mn5 O16 S3 -","- H8 Mn5 O16 S3 -","- H16 Mn10 O32 S6 -","2","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori","Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7158","7166","10.1039/c3dt50415h","","","0.71073","MoKα","","0.036","0.0347","","","0.0802","0.0824","","","","1.14","1.14","1.15","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7023331","7.297","0.0006","15.7569","0.0016","10.1351","0.0011","90","","98.921","0.001","90","","1151.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H22 N4 O4 Pb -","- C26 H22 N4 O4 Pb -","- C52 H44 N8 O8 Pb2 -","2","0.5","","Gong, Yun; Hao, Zhi; Sun, Jun Liang; Shi, Hui-Fang; Jiang, Peng-Gang; Lin, Jian-Hua","Metal(II) complexes based on 1,4-bis(3-pyridylaminomethyl)benzene: structures, photoluminescence and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13241","13250","10.1039/c3dt51188j","","","0.71073","MoKα","","0.0326","0.0263","","","0.0542","0.0559","","","","","","0.983","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023393","9.895","0.004","21.386","0.007","20.452","0.007","90","","99.418","0.007","90","","4270","3","103","","103","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C65 H26 Cl10 F28 N4 O16 Ru4 -","- C65 H20 Cl10 F28 N4 O16 Ru4 -","- C130 H40 Cl20 F56 N8 O32 Ru8 -","2","0.5","","Nishio, Masaki; Motokawa, Natsuko; Takemura, Miho; Miyasaka, Hitoshi","Modification of charge transfer in a two-dimensional donor/acceptor framework by the insertion of another donor-type molecule into electronegative interlayer pockets.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15898","15901","10.1039/c3dt51271a","","","0.71075","MoKα","","","0.0945","","","","0.2739","","","","","","1.064","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023419","9.2986","0.0015","14.618","0.003","13.39","0.003","90","","100.519","0.003","90","","1789.5","0.6","93","","93","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 B3 Cl3 F4 N14 O Ru2 -","- C24 H26 B3 Cl3 F4 N14 O Ru2 -","- C48 H52 B6 Cl6 F8 N28 O2 Ru4 -","2","0.5","","Arikawa, Yasuhiro; Ikeda, Ayumi; Matsumoto, Naoki; Umakoshi, Keisuke","Reactivity of a nitrosyl ligand on dinuclear ruthenium hydrotris(pyrazolyl)borato complexes toward a NO molecule.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11626","11631","10.1039/c3dt51319j","","","0.71075","MoKα","","","0.0422","","","","0.1125","","","","","","1.044","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023530","7.9578","0.0006","14.7728","0.0002","9.2582","0.0004","90","","91.755","0.003","90","","1087.87","0.1","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H25 N2 O12 P4 Zn3 -","- C9 H25 N2 O12 P4 Zn3 -","- C18 H50 N4 O24 P8 Zn6 -","2","0.5","","Wang, Guoming; Li, Jinhua; Zhang, Xiao; Wang, Pei; Pang, BeiBei; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua; Pan, Chunyang","In situ template generation via N-alkylation in the syntheses of open-framework zinc phosphites and phosphate.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13084","13091","10.1039/c3dt51434j","","","0.71073","MoKα","","0.0463","0.0428","","","0.0883","0.0893","","","","","","1.276","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023688","10.816","0.0002","40.862","0.0008","11.162","0.0002","90","","116.955","0.001","90","","4397.27","0.15","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C36 H49.5 Br Cl Mn N8.5 O7 -","- C36 H49.5 Br Cl Mn N8.5 O7 -","- C144 H198 Br4 Cl4 Mn4 N34 O28 -","4","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.0961","0.0619","","","0.1478","0.163","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023689","10.73","0.005","40.995","0.005","11.101","0.005","90","","117.05","0.005","90","","4349","3","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C35 H48 Br Cl Fe N8 O7 -","- C34.99 H47.97 Br Cl Fe N7.995 O7 -","- C139.96 H191.88 Br4 Cl4 Fe4 N31.98 O28 -","4","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.0983","0.0689","","","0.1626","0.176","","","","","","1.076","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023720","4.88074","0.00021","7.06743","0.0003","4.70228","0.0002","90","","96.303","0.004","90","","161.221","0.012","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Bi O4 P -","- Bi O4 P -","- Bi2 O8 P2 -","2","0.5","","Achary, S. N.; Errandonea, D.; Muñoz, A; Rodríguez-Hernández, P; Manjón, F J; Krishna, P. S. R.; Patwe, S. J.; Grover, V.; Tyagi, A. K.","Experimental and theoretical investigations on the polymorphism and metastability of BiPO4.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14999","15015","10.1039/c3dt51823j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023829","12.4191","0.0002","15.6401","0.0003","12.5526","0.0002","90","","115.74","0.001","90","","2196.24","0.07","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- K4 Mn3 O51 Si W9 -","- K4 Mn3 O51 Si W9 -","- K8 Mn6 O102 Si2 W18 -","2","0.5","","Shevchenko, Denys; Huang, Ping; Bon, Volodymyr V.; Anderlund, Magnus F.; Kokozay, Vladimir N.; Styring, Stenbjörn; Thapper, Anders","Synthesis, crystal structure, mass spectrometry, electrochemistry and magnetism of a Mn(III)-substituted trilacunary Keggin tungstosilicate.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5130","5139","10.1039/c3dt12500a","","","0.71073","MoKα","","0.044","0.0326","","","0.0769","0.0832","","","","","","1.093","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7024092","16.116","0.005","19.584","0.005","16.367","0.005","90","","113.912","0.012","90","","4722","2","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C18 H74 Cs8 O96 Si2 Sn3 W18 -","- C18 H15 Cs8 O77 Si2 Sn3 W18 -","- C36 H30 Cs16 O154 Si4 Sn6 W36 -","2","0.5","","Reinoso, Santiago; Piedra-Garza, Luis Fernando; Dickman, Michael H.; Praetorius, Antonia; Biesemans, Monique; Willem, Rudolph; Kortz, Ulrich","Trilacunary A-beta-Keggin tungstogermanates and -silicates functionalized with phenyltin(IV) electrophiles.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","248","255","10.1039/b910889k","","","0.71073","MoKα","","0.1322","0.0601","","","0.1514","0.1926","","","","","","1.066","","","","has coordinates,has disorder","179945","2020-10-21","18:00:00",""
"7024150","10.4181","0.0004","19.2561","0.0008","10.6622","0.0004","90","","93.416","0.002","90","","2135.16","0.15","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 Er N2 O P2 Si2 -","- C42 H53 Er N2 O P2 Si2 -","- C84 H106 Er2 N4 O2 P4 Si4 -","2","0.5","","Wooles, Ashley J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Lanthanide tri-benzyl complexes: structural variations and useful precursors to phosphorus-stabilised lanthanide carbenes.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","500","510","10.1039/b911717b","","","0.71073","MoKα","","0.0186","0.0183","","","0.0468","0.0469","","","","","","1.054","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024345","11.95","0.003","27.769","0.006","13.903","0.003","90","","103.404","0.005","90","","4487.9","1.8","123","2","123","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C62 H84 Co4 F6 N24 O19 S6 -","- C61 H56 Co4 F3 N24 O3 S5 -","- C122 H112 Co8 F6 N48 O6 S10 -","2","0.5","","Shuvaev, Konstantin V.; Dawe, Louise N.; Thompson, Laurence K.","Formation of unusual molecular rectangles and squares containing low spin and high spin Co(ii) and Fe(ii) centers","Dalton Transactions","2010","39","20","4768","","10.1039/b915595c","","","0.71075","MoKα","","0.094","0.0692","","","0.1877","0.2044","","","","","","0.993","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024348","11.95","0.003","27.769","0.006","13.903","0.003","90","","103.404","0.005","90","","4487.9","1.8","123","2","123","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C62 H69.6 Co4 F6 N24 O11.8 S6 -","- C62 H56 Co4 F6 N24 O11.8 S6 -","- C124 H112 Co8 F12 N48 O23.6 S12 -","2","0.5","","Shuvaev, Konstantin V.; Dawe, Louise N.; Thompson, Laurence K.","Formation of unusual molecular rectangles and squares containing low spin and high spin Co(ii) and Fe(ii) centers","Dalton Transactions","2010","39","20","4768","","10.1039/b915595c","","","0.71075","MoKα","","0.1368","0.1125","","","0.3015","0.3221","","","","","","1.169","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024392","7.663","0.002","14.393","0.003","7.799","0.002","90","","100.655","0.003","90","","845.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Cu H10 Mn2 Na3 O17 S4 -","- Cu H10 Mn2 Na3 O17 S4 -","- Cu2 H20 Mn4 Na6 O34 S8 -","2","0.5","","Li, Pei-Xin; Mao, Jiang-Gao","Hydrothermal syntheses, crystal structures and magnetic properties of two new mixed metal copper(I) sulfites.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","107","112","10.1039/b916465k","","","0.71073","MoKα","","0.0227","0.0209","","","0.0535","0.0541","","","","","","1.084","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024481","9.495","0.017","6.577","0.011","14.1","0.02","90","","101.38","0.03","90","","863","2","90.1","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 N4 O8 Pt Zn -","- C14 H6 N4 O8.26 Pt Zn -","- C28 H12 N8 O16.52 Pt2 Zn2 -","2","0.5","","Kobayashi, Atsushi; Hara, Hirofumi; Noro, Shin-Ichiro; Kato, Masako","Multifunctional sensing ability of a new Pt/Zn-based luminescent coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3400","3406","10.1039/b917693d","","","0.689","synchrotron","","","0.0771","","","","0.2292","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024501","11.101","0.002","16.73","0.003","11.513","0.002","90","","104.63","0.03","90","","2068.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H26 Br2 N6 Pd -","- C14 H26 Br2 N6 Pd -","- C56 H104 Br8 N24 Pd4 -","4","1","","Dash, Chandrakanta; Shaikh, Mobin M.; Butcher, Ray J.; Ghosh, Prasenjit","A comparison between nickel and palladium precatalysts of 1,2,4-triazole based N-heterocyclic carbenes in hydroamination of activated olefins.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2515","2524","10.1039/b917892a","","","0.71073","MoKα","","0.0791","0.0354","","","0.0793","0.086","","","","","","0.902","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7024894","6.168","0.002","12.863","0.005","6.684","0.002","90","","90.181","0.006","90","","530.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Tellurium Tetrachloride 1,4-Dioxane Solvate","Tellurium Tetrachloride 1,4-Dioxane Solvate","","- C4 H8 Cl4 O2 Te -","- C4 H8 Cl4 O2 Te -","- C8 H16 Cl8 O4 Te2 -","2","0.5","","Shlykov, Sergey A.; Giricheva, Nina I.; Titov, Anton V.; Szwak, Małgorzata; Lentz, Dieter; Girichev, Georgiy V.","The structures of tellurium(IV) halides in the gas phase and as solvated molecules.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3245","3255","10.1039/b922474b","","","0.71073","MoKα","","0.0488","0.0456","","","0.1257","0.1297","","","","","","1.167","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7025116","7.9468","0.0001","20.3942","0.0002","12.6593","0.0003","90","","95.704","0.0009","90","","2041.52","0.06","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C35 H42 F6 Mn2 N7 O8 P -","- C35 H42 F6 Mn2 N7 O8 P -","- C70 H84 F12 Mn4 N14 O16 P2 -","2","0.5","","Madhu, Vedichi; Ekambaram, Balaraman; Shimon, Linda J. W.; Diskin, Yael; Leitus, Gregory; Neumann, Ronny","Structural diversity in manganese, iron and cobalt complexes of the ditopic 1,2-bis(2,2'-bipyridyl-6-yl)ethyne ligand and observation of epoxidation and catalase activity of manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7266","7275","10.1039/b925129d","","","0.71073","MoKα","","0.0641","0.051","","","0.1296","0.1394","","","","","","1.002","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7025349","9.4341","0.0017","9.9553","0.0018","11.237","0.002","90","","101.514","0.002","90","","1034.1","0.3","198","1","198","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H35 In O -","- C20 H35 In O -","- C40 H70 In2 O2 -","2","0.5","","Briand, Glen G.; Decken, Andreas; Hamilton, Nathan S.","Rationalizing oligomerization in dimethylindium(III) chalcogenolates (Me2InER') (E = O, S, Se): a structural and computational study.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3833","3841","10.1039/b927128g","","x-ray","0.71073","MoKα","","0.0562","0.0559","","","0.2004","0.2006","","","","","","1.281","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025515","7.2951","0.0009","15.502","0.002","8.281","0.001","90","","91.489","0.003","90","","936.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H24 Ag Br N6 S3 -","- C9 H24 Ag Br N6 S3 -","- C18 H48 Ag2 Br2 N12 S6 -","2","0.5","","Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.","Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4391","4404","10.1039/c001398f","","","0.71073","MoKα","","0.0343","0.0235","","","0.0507","0.0528","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025516","7.3489","0.0001","15.3315","0.0001","8.1959","0.0001","90","","91.467","0.001","90","","923.127","0.018","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","tris(N-ethylthiourea)chlorosilver(i)","tris(N-ethylthiourea)chlorosilver(I)","","- C9 H24 Ag Cl N6 S3 -","- C9 H24 Ag Cl N6 S3 -","- C18 H48 Ag2 Cl2 N12 S6 -","2","0.5","","Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.","Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4391","4404","10.1039/c001398f","","","0.71073","MoKα","","0.023","0.0205","","","0.0512","0.0519","","","","","","1.045","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025656","9.408","0.003","17.835","0.005","18.082","0.005","90","","93.807","0.005","90","","3027.3","1.5","202","2","202","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H43 N2 O Sm -","- C36 H43 N2 O Sm -","- C144 H172 N8 O4 Sm4 -","4","1","","Ilango, Sougandi; Vidjayacoumar, Balamurugan; Gambarotta, Sandro","Samarium complexes of a sigma-/pi-pyrrolide/arene based macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6853","6857","10.1039/c002514n","","","0.71073","MoKα","","0.1313","0.0743","","","0.164","0.1955","","","","","","1.016","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025812","8.6862","0.0017","37.8","0.008","13.27","0.003","90","","96.79","0.03","90","","4326.5","1.6","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C55.67 H109.33 Cu4 N20 O33 -","- C55.66 H109.32 Cu4 N20 O33 -","- C111.32 H218.64 Cu8 N40 O66 -","2","0.5","","Buvailo, Andrii I.; Gumienna-Kontecka, Elzbieta; Pavlova, Svetlana V.; Fritsky, Igor O.; Haukka, Matti","Dimeric versus polymeric coordination in copper(II) cationic complexes with bis(chelating) oxime and amide ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6266","6275","10.1039/c0dt00008f","","","0.71073","MoKα","","0.1187","0.0801","","","0.2163","0.243","","","","","","1.08","","","","has coordinates,has disorder","179964","2020-10-21","18:00:00",""
"7026622","9.5852","0.0009","9.7438","0.0009","13.0258","0.0012","90","","93.386","0.002","90","","1214.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C H14 O13 P2 U -","- C H2 O13 P2 U -","- C4 H8 O52 P8 U4 -","4","1","","Knope, Karah E.; Cahill, Christopher L.","Homometallic UO2(2+) diphosphonates assembled under ambient and hydrothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8319","8324","10.1039/c0dt00538j","","","0.71073","MoKα","","0.0341","0.0264","","","0.0562","0.0586","","","","","","1.075","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026713","10.109","0.002","25","0.005","10.463","0.002","90","","108.739","0.002","90","","2504.1","0.9","220","2","220","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C44.5 H47 Cl5 N2 O2 P4 Pt2 -","- C44 H47 Cl4 N2 O2 P4 Pt2 -","- C88 H94 Cl8 N4 O4 P8 Pt4 -","2","0.5","","Balakrishna, Maravanji S.; Venkateswaran, Ramalingam; Mague, Joel T.","Transition metal chemistry of cyclodiphosphanes containing phosphine and amide-phosphine functionalities: formation of a stable dipalladium(II) complex containing a Pd-P σ-bond.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11149","11162","10.1039/c0dt00614a","","","0.71073","MoKα","","0.0449","0.038","","","0.0967","0.1004","","","","","","1.067","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026891","6.738","0.006","7.138","0.006","13.413","0.011","90","","91.064","0.014","90","","645","1","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Eu O8 Se2 V -","- Eu O8 Se2 V -","- Eu4 O32 Se8 V4 -","4","1","","Li, Pei-Xin; Zhang, Su-Yun; Mao, Jiang-Gao","Explorations of new quaternary phases in the Ln(III)-V(V)(d0)-Se(IV)-O (Ln = Nd, Eu, Gd, Tb) systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11560","11567","10.1039/c0dt00848f","","","0.71073","MoKα","","0.0636","0.0461","","","0.1025","0.1121","","","","","","1.077","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026892","6.704","0.004","7.118","0.004","13.36","0.008","90","","91.087","0.01","90","","637.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Gd O8 Se2 V -","- Gd O8 Se2 V -","- Gd4 O32 Se8 V4 -","4","1","","Li, Pei-Xin; Zhang, Su-Yun; Mao, Jiang-Gao","Explorations of new quaternary phases in the Ln(III)-V(V)(d0)-Se(IV)-O (Ln = Nd, Eu, Gd, Tb) systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11560","11567","10.1039/c0dt00848f","","","0.71073","MoKα","","0.0314","0.0271","","","0.064","0.0662","","","","","","1.084","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026893","6.677","0.003","7.089","0.003","13.323","0.006","90","","91.009","0.007","90","","630.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- O8 Se2 Tb V -","- O8 Se2 Tb V -","- O32 Se8 Tb4 V4 -","4","1","","Li, Pei-Xin; Zhang, Su-Yun; Mao, Jiang-Gao","Explorations of new quaternary phases in the Ln(III)-V(V)(d0)-Se(IV)-O (Ln = Nd, Eu, Gd, Tb) systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11560","11567","10.1039/c0dt00848f","","","0.71073","MoKα","","0.0485","0.0346","","","0.055","0.0595","","","","","","1.094","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026967","9.4213","0.0002","20.5902","0.0006","9.9732","0.0002","90","","109.844","0.002","90","","1819.79","0.08","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C39 H52 Mg N4 -","- C39 H52 Mg N4 -","- C78 H104 Mg2 N8 -","2","0.5","","Hill, Michael S.; MacDougall, Dugald J.; Mahon, Mary F.","Magnesium hydride-promoted dearomatisation of pyridine.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11129","11131","10.1039/c0dt01246g","","","0.71073","MoKα","","0.0806","0.0537","","","0.1292","0.1456","","","","","","1.005","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027216","7.789","0.001","7.329","0.001","7.957","0.001","90","","118.65","0.01","90","","398.62","0.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","sodium-cobalt methylene diphosphonate","Na3Co(O3PCH2PO3)(OH)","","- C H3 Co Na3 O7 P2 -","- C H3 Co Na3 O7 P2 -","- C2 H6 Co2 Na6 O14 P4 -","2","0.5","","Distler, Anne; Lohse, Douglas L.; Sevov, Slavi C.","Chains, planes, and tunnels of metal diphosphonates: synthesis, structure, and characterization of Na3Co(O3PCH2PO3)(OH), Na3Mg(O3PCH2PO3)F·H2O, Na2Co(O3PCH2PO3)·H2O, NaCo2(O3PCH2CH2CH2PO3)(OH), and Co2(O3PCH2PO3)(H2O)","Journal of the Chemical Society, Dalton Transactions","1999","","11","1805","","10.1039/a809671f","","","0.71073","MoKα","","0.0724","0.0444","","0.1175","0.0978","","","","1.182","1.174","1.174","","","","","has coordinates","179978","2020-10-21","18:00:00",""
"7027217","7.996","0.002","7.1516","0.0007","8.1","0.002","90","","118.73","0.01","90","","406.17","0.15","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","sodium-magnesium methylene diphosphonate","Na3Mg(O3PCH2PO3)(F)*2H2O","","- C H4 F Mg Na3 O7 P2 -","- C H4 F Mg Na3 O7 P2 -","- C2 H8 F2 Mg2 Na6 O14 P4 -","2","0.5","","Distler, Anne; Lohse, Douglas L.; Sevov, Slavi C.","Chains, planes, and tunnels of metal diphosphonates: synthesis, structure, and characterization of Na3Co(O3PCH2PO3)(OH), Na3Mg(O3PCH2PO3)F·H2O, Na2Co(O3PCH2PO3)·H2O, NaCo2(O3PCH2CH2CH2PO3)(OH), and Co2(O3PCH2PO3)(H2O)","Journal of the Chemical Society, Dalton Transactions","1999","","11","1805","","10.1039/a809671f","","","0.71073","MoKα","","0.0634","0.0402","","0.0998","0.0886","","","","1.014","1.081","1.081","","","","","has coordinates","179978","2020-10-21","18:00:00",""
"7027276","8.989","0.003","10.033","0.002","12.086","0.002","90","","104.85","0.01","90","","1053.6","0.4","150","","150","","","","","","","","CH~2~Cl~2~/petroleum ether","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H18 F3 Mn O6 S Te3 -","- C16 H31 F5 Mn O8 S Te3 -","- C32 H62 F10 Mn2 O16 S2 Te6 -","2","0.5","","Levason, William; Orchard, Simon D.; Reid, Gillian","Spectroscopic and structural characterisation of fac-[Mn(CO)3{MeC(CH2TeMe)3}]CF3SO3: the first transition metal complex of a tritelluroether","Journal of the Chemical Society, Dalton Transactions","1999","","6","823","","10.1039/a900615j","","","0.7107","MoKalpha","","","0.0255","","","0.0337","","","","","1.079","1.079","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027340","8.784","0.003","23.414","0.002","10.31","0.003","90","","108.06","0.01","90","","2016","0.9","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H56 Cl4 N12 Ni2 O17 -","- C18 H56 Cl4 N12 Ni2 O17 -","- C36 H112 Cl8 N24 Ni4 O34 -","2","0.5","","Masters, Vanessa M.; Bernhardt, Paul V.; Gahan, Lawrence R.; Moubaraki, Boujemaa; Murray, Keith S.; Berry, Kevin J.","Nickel complexes with tris(2-aminoethyl)amine (tren): [Ni3(tren)4(H2O)2][Cr(ox)3]2·6H2O (ox = oxalate), {[Ni2(tren)3][ClO4]4·H2O}n, and [Ni2(tren)2(aepd)][ClO4]4·2H2O (aepd = N-(2-aminoethyl)pyrrolidine-3,4-diamine). Synthesis, structure and magnetism †","Journal of the Chemical Society, Dalton Transactions","1999","","14","2323","","10.1039/a901659g","","","0.71073","MoKα","","0.1989","0.09","","0.3188","0.2421","","","","1.048","1.197","1.197","","","","","has coordinates,has disorder","179979","2020-10-21","18:00:00",""
"7027501","6.398","0.001","12.57","0.003","6.428","0.001","90","","104.19","0.03","90","","501.18","0.18","163","2","163","2","","","","","","","Aldrich Chemicals","5","P 1 21/m 1","-P 2yb","11","HMPA","Tris(dimethylamino)oxophosphorane","","- C6 H18 N3 O P -","- C6 H18 N3 O P -","- C12 H36 N6 O2 P2 -","2","0.5","","Mitzel, Norbert W.; Lustig, Christian","The molecular and crystal structures of the tris(dimethylamino)phosphoranes (Me2N)3P‒X (X = BH3, CH2, NH or O)","Journal of the Chemical Society, Dalton Transactions","1999","","18","3177","","10.1039/a903292d","","","0.71073","MoKα","","0.0592","0.0427","","0.1162","0.1063","","","","1.045","1.075","1.075","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027770","14.618","0.002","14.771","0.002","21.583","0.003","90","","108.13","0.03","90","","4428.9","1.3","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Potassium-[18]crown-6-Salt of Nonaplumbide(4-)","","","- C28.5 H56 K2 N O12 Pb4.5 -","- C28.5 H44 K2 N O12 Pb4.5 -","- C114 H176 K8 N4 O48 Pb18 -","4","1","","Fässler, Thomas F.; Hoffmann, Rudolf","Novel synthetic route to soluble polyanions: synthesis and crystal structure of [K(18-crown-6)]4[Pb9]·en·tol †","Journal of the Chemical Society, Dalton Transactions","1999","","19","3339","","10.1039/a906586e","","","0.71079","MoK/a","","0.081","0.0427","","","0.0845","0.0972","","","","","","0.92","","","","has coordinates","179983","2020-10-21","18:00:00",""
"7027806","9.162","0.004","18.442","0.003","9.573","0.007","90","","108.79","0.05","90","","1531.3","1.4","296.2","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H32 B F4 N2 O2 Rh -","- C28 H20 B F3.97 N2 O2 Rh -","- C56 H40 B2 F7.94 N4 O4 Rh2 -","2","0.5","","Maekawa, Masahiko; Sugimoto, Kunihisa; Kuroda-Sowa, Takayoshi; Suenaga, Yusaku; Munakata, Megumu","Syntheses and structures of dinuclear rhodium(I) complexes and 1-D zigzag-chain rhodium(I) co-ordination polymers bridged by rod-like bidentate nitrogen ligands †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4357","","10.1039/a907577a","","","0.7107","MoKα","","","0.0527","","","","0.1373","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027807","9.347","0.002","18.114","0.003","9.917","0.003","90","","108.53","0.02","90","","1592","0.7","296.2","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H32 F6 N2 O2 P Rh -","- C28 H20 F6 N2 O2 P Rh -","- C56 H40 F12 N4 O4 P2 Rh2 -","2","0.5","","Maekawa, Masahiko; Sugimoto, Kunihisa; Kuroda-Sowa, Takayoshi; Suenaga, Yusaku; Munakata, Megumu","Syntheses and structures of dinuclear rhodium(I) complexes and 1-D zigzag-chain rhodium(I) co-ordination polymers bridged by rod-like bidentate nitrogen ligands †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4357","","10.1039/a907577a","","","0.7107","MoKα","","","0.0584","","","","0.1686","","","","","","1.39","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027984","9.678","0.003","12.117","0.005","10.497","0.003","90","","93.59","0.02","90","","1228.6","0.7","290","2","290","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H10 O11 Os3 Ru2 -","- C21 H10 O11 Os3 Ru2 -","- C42 H20 O22 Os6 Ru4 -","2","0.5","","Buntem, Radchada; Lewis, Jack; Morewood, Catherine A.; Raithby, Paul R.; Ramirez de Arellano, M. Carmen; Shields, Gregory P.","Use of the monocationic fragment [Ru(η5-C5H5)(MeCN)3]+ as a capping reagent in the synthesis of mixed-metal clusters: synthesis and structural characterisation of [Os3RuH(CO)11(η5-C5H5)] and [Os3Ru2(CO)9(μ3-CO)2(η5-C5H5)2]","Journal of the Chemical Society, Dalton Transactions","1998","","7","1091","","10.1039/a708714d","","","0.71073","MoKα","","0.0766","0.068","","0.1991","0.1865","","","","1.071","1.091","1.091","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7028219","8.334","0.007","7.43","0.006","8.998","0.008","90","","114.75","0.002","90","","506","0.7","125","2","125","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H7 F6 N2 O2 V2 -","- C4 F6 N2 O2 V2 -","- C8 F12 N4 O4 V4 -","2","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0884","0.0803","","","0.1937","0.2078","","","","","","1.18","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028220","8.806","0.003","12.1","0.005","9.206","0.004","90","","106.301","0.002","90","","941.5","0.6","93","2","93","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H10 F6 N2 O2 V2 -","- C2 H5 F6 N2 O2 V2 -","- C8 H20 F24 N8 O8 V8 -","4","1","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.118","0.1123","","","0.2515","0.2551","","","","","","1.241","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028974","13.8686","0.0008","14.35","0.0005","16.1195","0.0007","90","","114.168","0.006","90","","2926.8","0.3","123","2","123","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C54 H71 Cl4 Fe K N4 O8 Zn2 -","- C54 H72 Cl4 Fe K N4 O8 Zn2 -","- C108 H144 Cl8 Fe2 K2 N8 O16 Zn4 -","2","0.5","","Rezaei Rad, Babak; Herrmann, Dirk; Lescop, Christophe; Wolf, Robert","A tetradentate metalloligand: synthesis and coordination behaviour of a 2-pyridyl-substituted cyclobutadiene iron complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4247","4250","10.1039/c3dt52699b","","","1.5418","CuKα","","0.0883","0.0654","","","0.1678","0.1864","","","","","","1.018","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7029072","18.092","0.0005","15.1214","0.0004","18.3971","0.0004","90","","103.738","0.002","90","","4889","0.2","105","2","105","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H63 Ga3 P2 Pd2 -","- C36 H63 Ga3 P2 Pd2 -","- C144 H252 Ga12 P8 Pd8 -","4","1","","Molon, Mariusz; Gemel, Christian; Fischer, Roland A.","Organogallium- and organozinc-rich palladium and platinum clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3114","3120","10.1039/c3dt53003e","","","0.71073","MoKα","","0.0716","0.0466","","","0.1154","0.1254","","","","","","1.052","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029073","17.9964","0.0006","15.2155","0.0004","18.3239","0.0004","90","","103.664","0.003","90","","4875.5","0.2","105","2","105","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C144 H249 Ga12 P8 Pt8 -","- C144 H251 Ga12 P8 Pt8 -","- C144 H251 Ga12 P8 Pt8 -","1","0.25","","Molon, Mariusz; Gemel, Christian; Fischer, Roland A.","Organogallium- and organozinc-rich palladium and platinum clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3114","3120","10.1039/c3dt53003e","","","0.71073","MoKα","","0.0862","0.0492","","","0.099","0.1114","","","","","","0.957","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029563","11.3567","0.0016","27.748","0.004","16.127","0.002","90","","102.683","0.002","90","","4958","1.2","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H39 Ge2 N O3 Si3 -","- C15 H39.5 Ge2 N O3 Si3 -","- C120 H316 Ge16 N8 O24 Si24 -","8","2","","Zaitsev, Kirill V.; Churakov, Andrei V.; Poleshchuk, Oleg Kh; Oprunenko, Yuri F.; Zaitseva, Galina S.; Karlov, Sergey S.","New oligogermane with a five coordinate germanium atom: the preparation of 1-germylgermatrane.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6605","6609","10.1039/c3dt53523a","","","0.71073","MoKα","","0.1066","0.0592","","","0.1248","0.1391","","","","","","1.055","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029770","7.5521","0.0013","18.127","0.003","14.725","0.003","90","","99.004","0.003","90","","1991","0.6","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H30 Cl2 Cu3 N16 O13 -","- C30 H30 Cl2 Cu3 N16 O13 -","- C60 H60 Cl4 Cu6 N32 O26 -","2","0.5","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.1334","0.0788","","","0.1931","0.232","","","","","","1.001","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029875","14.416","0.005","40.031","0.005","15.177","0.005","90","0.005","93.276","0.005","90","0.005","8744","4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C46 H103.5 Ag14 S11.5 -","- C46 H91.4 Ag14 S11.5 -","- C184 H365.6 Ag56 S46 -","4","1","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Self-assembly of an all-thiol-stabilized {Ag28S23} high-nuclearity luminescent nanocluster with a ""crab-like"" shape.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10695","10699","10.1039/c4dt00762j","","","0.71069","MoKα","","0.1124","0.061","","","0.1466","0.1715","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029961","7.961","0.0003","9.8975","0.0005","13.6347","0.0005","90","","92.558","0.004","90","","1073.26","0.08","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H21 F12 N7 P2 Pd -","- C11 H21 F12 N7 P2 Pd -","- C22 H42 F24 N14 P4 Pd2 -","2","0.5","","Chen, Chao; Chen, Wanzhi; Qiu, Huayu","Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13405","13412","10.1039/c2dt31739g","","","0.71073","MoKα","","0.0294","0.0239","","","0.0504","0.0534","","","","","","1.076","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029974","8.4356","0.0019","18.837","0.004","10.116","0.002","90","","113.266","0.002","90","","1476.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H29 Cl2 Cu4 O32 Tb -","- C5 H29 Cl2 Cu4 O32 Tb -","- C10 H58 Cl4 Cu8 O64 Tb2 -","2","0.5","","Li, Zhong-Yi; Yang, Jing-Si; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Ni, Jun; Duan, Chun-Ying","Two one-dimensional compounds based on pyramidal {TbCu4} units and formate ligand: chair-like [(H2O)2(ClO4)2]2- clusters and slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13264","13266","10.1039/c2dt32147e","","","0.71073","MoKα","","0.0383","0.0345","","","0.0845","0.0862","","","","","","1.07","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030021","3.9077","0.0004","26.893","0.002","5.4464","0.0005","90","","90.622","0.003","90","","572.33","0.09","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H9 N9 -","- C11 H9 N9 -","- C22 H18 N18 -","2","0.5","","Benson, Christopher R.; Hui, Alice K.; Parimal, Kumar; Cook, Brian J.; Chen, Chun-Hsing; Lord, Richard L.; Flood, Amar H.; Caulton, Kenneth G.","Multiplying the electron storage capacity of a bis-tetrazine pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6513","6524","10.1039/c4dt00341a","","","0.71073","MoKα","","0.0741","0.0553","","0.1814","0.1534","0.1814","","","","","","1.0848","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030027","6.932","0.005","12.876","0.008","7.444","0.005","90","","94.55","0.007","90","","662.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C2 H16 F12 N3 V3 -","- C2 H16 F12 N3 V3 -","- C4 H32 F24 N6 V6 -","2","0.5","","Aidoudi, Farida H.; Downie, Lewis J.; Morris, Russell E.; A de Vries, Mark; Lightfoot, Philip","A hybrid vanadium fluoride with structurally isolated S = 1 kagome layers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6304","6307","10.1039/c4dt00452c","","","0.7749","synchrotron","","0.0807","0.0756","","","0.1911","0.1961","","","","","","1","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030807","10.764","0.002","14.001","0.002","7.407","0.001","90","","99.3381","","90","","1101.5","0.3","298","","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RUB-48","","","- C7.2 H25.2 N1.8 O38.8 Si16 -","- C10.864 O39.028 P1.81 Si18 -","- C10.864 O39.028 P1.81 Si18 -","1","0.25","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.5406","CuKα1","","","","","","","","","5.1114","1.39","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7031781","11.6796","0.0008","8.5399","0.0006","11.7874","0.0008","90","","112.72","0.001","90","","1084.48","0.13","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Eu F K2 O10 Si4 -","- Eu F K2 O10 Si4 -","- Eu4 F4 K8 O40 Si16 -","4","1","","Liu, Wei; Ji, Ying; Bao, Xinjian; Wang, Ying; Li, Benxian; Wang, Xiaofeng; Zhao, Xudong; Liu, Xiaoyang; Feng, Shouhua","Novel open-framework europium silicates prepared under high-temperature and high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13892","13898","10.1039/c4dt01707b","","","0.71073","MoKα","","0.0299","0.0282","","","0.0794","0.0804","","","","","","1.065","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031945","6.414","0.003","10.292","0.004","7.649","0.004","90","","113.698","0.012","90","","462.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","trichlorotrimethylphosphanealuminium(III)","","- C3 H9 Al Cl3 P -","- C3 H9 Al Cl3 P -","- C6 H18 Al2 Cl6 P2 -","2","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0551","0.0519","","","0.1241","0.125","","","","","","1.195","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7032087","6.6314","0.0013","9.7352","0.0019","16.909","0.003","90","","96.93","0.03","90","","1083.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Piperazinium-di-chlorido-di-piperazinium-iron(II)-tri-chloride","","- C12 H22 Cl5 Fe N6 -","- C12 H22 Cl5 Fe N6 -","- C24 H44 Cl10 Fe2 N12 -","2","0.5","","Schönfeld, F; Wirthensohn, R.; Schmitt, H.-C.; Constantinidis, P.; Fischer, I.; Müller-Buschbaum, K","Tuning of the dimensional linkage from the complex to the framework by thermal conversion in the system Fe/Cl/piperazine.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15398","15406","10.1039/c4dt01987c","","","0.71073","MoKα","","0.0908","0.0637","","","0.12","0.1381","","","","","","1.159","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032172","9.8754","0.0003","23.0437","0.0009","13.1527","0.0003","90","","99.03","0.002","90","","2956.01","0.16","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C33 H50 Ag3 F9 O9 P10 S3 -","- C33 H51 Ag3 F9 O9 P10 S3 -","- C66 H102 Ag6 F18 O18 P20 S6 -","2","0.5","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Tallis, Huw A.; Williams, Craig","Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3 and 9anePN2 macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15532","15545","10.1039/c4dt02239d","","","0.71073","MoKα","","0.1155","0.0749","","","0.1911","0.219","","","","","","1.031","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032538","4.7416","0.0003","12.1325","0.0007","14.0001","0.0008","90","","95.107","0.002","90","","802.19","0.08","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1,3-bis(3,5-dimethyl-1H-pyrazol-4-yl)benzene","","","- C17 H22 N4 O -","- C17 H22 N4 O -","- C34 H44 N8 O2 -","2","0.5","","Grzywa, Maciej; Geßner, Christof; Bredenkötter, Björn; Denysenko, Dmytro; van Leusen, Jan; Kögerler, Paul; Klemm, Elias; Volkmer, Dirk","Coordination frameworks assembled from Cu(II) ions and H2-1,3-bdpb ligands: X-ray and magneto structural investigations, and catalytic activity in the aerobic oxidation of tetralin.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16846","16856","10.1039/c4dt01880j","","","0.71073","MoKα","","0.0705","0.0521","","","0.0986","0.1049","","","","","","1.129","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032863","9.5555","0.0012","10.4647","0.0013","10.0797","0.0012","90","","109.763","0.002","90","","948.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","cis-diamminetetrachloroplatinum(IV) tris(bimethylsulfoxide)","","- C6 H24 Cl4 N2 O3 Pt S3 -","- C6 H24 Cl4 N2 O3 Pt S3 -","- C12 H48 Cl8 N4 O6 Pt2 S6 -","2","0.5","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0154","0.0139","","","0.0314","0.0322","","","","","","1.052","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7033225","17.266","0.004","28.026","0.006","23.327","0.005","90","","106.97","0.03","90","","10796","4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[CrIII4DyIII4F4(OMe)1.12(OH)2.88(O2CPh)8(mdea)4]","","","- C78.75 H101 Cr4 Dy4 F4 N4 O30.25 -","- C78.75 H94.75 Cr4 Dy4 F4 N4 O30.25 -","- C315 H379 Cr16 Dy16 F16 N16 O121 -","4","1","","Langley, Stuart K.; Forsyth, Craig M.; Moubaraki, Boujemaa; Murray, Keith S.","A fluoride bridged {Cr(III)4Dy(III)4} single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","912","915","10.1039/c4dt03100h","","","0.71079","synchrotron","","0.0713","0.0534","","","0.1482","0.1563","","","","","","1.045","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033445","9.3678","0.0004","13.6094","0.0006","10.1421","0.0004","90","","90.273","0.002","90","","1293","0.09","90","2","90","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 Ag Co N12 O12 -","- C20 H16 Ag Co N12 O12 -","- C40 H32 Ag2 Co2 N24 O24 -","2","0.5","","Cowan, Matthew G.; Miller, Reece G.; Brooker, Sally","Pyrazine-imide complexes: reversible redox and MOF building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2880","2892","10.1039/c4dt03407d","","","0.71073","MoKα","","0.0687","0.0547","","","0.1495","0.1596","","","","","","1.064","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033492","8.213","0.01","24.04","0.03","8.22","0.014","90","","119.528","0.017","90","","1412","3","290","","290","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H14 B2 Br6 Fe N6 O6 -","- C28 H28 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1161","0.0576","","","0.1268","0.1472","","","","","","1.021","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033493","8.2075","0.0016","24.257","0.005","8.2107","0.0016","90","","119.427","0.003","90","","1423.8","0.5","270","","270","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1484","0.0606","","","0.123","0.1473","","","","","","0.991","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033494","8.1967","0.0017","24.248","0.005","8.1999","0.0018","90","","119.392","0.003","90","","1420","0.5","260","","260","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.134","0.0579","","","0.1269","0.1507","","","","","","0.983","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033497","8.215","0.002","24.337","0.006","8.219","0.002","90","","119.347","0.003","90","","1432.3","0.6","245","","245","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1811","0.0842","","","0.1846","0.2263","","","","","","0.996","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033498","8.216","0.002","24.294","0.006","8.219","0.003","90","","119.409","0.003","90","","1429.1","0.7","265","","265","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1843","0.0609","","","0.1078","0.1337","","","","","","0.993","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033499","8.209","0.002","24.227","0.006","8.21","0.002","90","","119.472","0.003","90","","1421.5","0.6","280","","280","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1773","0.0582","","","0.0997","0.1236","","","","","","0.988","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7034300","7.8641","0.0003","14.1716","0.0005","11.9392","0.0004","90","","101.328","0.002","90","","1304.67","0.08","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 Ni O2 P2 -","- C26 H38 Ni O2 P2 -","- C52 H76 Ni2 O4 P4 -","2","0.5","","Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong","Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12128","12136","10.1039/c5dt00161g","","","1.54178","CuKα","","0.0685","0.0463","","","0.1095","0.1211","","","","","","1.029","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034321","13.4256","0.0003","29.9039","0.001","19.5845","0.0007","90","","106.643","0.003","90","","7533.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C70 H154 Mn2 N24 Se35 Sn15 -","- C70 H52 Mn2 N24 Se35 Sn15 -","- C140 H104 Mn4 N48 Se70 Sn30 -","2","0.5","","Du, Cheng-Feng; Li, Jian-Rong; Feng, Mei-Ling; Zou, Guo-Dong; Shen, Nan-Nan; Huang, Xiao-Ying","Varied forms of lamellar [Sn3Se7]n(2n-) anion: the competitive and synergistic structure-directing effects of metal-amine complex and imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7364","7372","10.1039/c5dt00620a","","","0.71073","MoKα","","0.1158","0.0846","","","0.165","0.1811","","","","","","1.016","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034904","12.229","0.0001","15.5856","0.0002","13.2069","0.0001","90","","98.838","0.001","90","","2487.3","0.04","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C46 H53 B2 Co F4 N7 Na O12 -","- C46 H53 B2 Co F4 N7 Na O12 -","- C92 H106 B4 Co2 F8 N14 Na2 O24 -","2","0.5","","Williams, Owen M.; Cowley, Alan H.; Rose, Michael J.","Structural and electronic characterization of multi-electron reduced naphthalene (BIAN) cobaloximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13017","13029","10.1039/c5dt00924c","","","1.54184","CuKα","","0.048","0.0447","","","0.1223","0.1263","","","","","","0.933","","","","has coordinates,has disorder","153193","2020-10-21","18:00:00",""
"7034991","7.8428","0.0006","15.2262","0.0012","8.4043","0.0007","90","","103.367","0.001","90","","976.42","0.13","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Fe-pic-Pt(CN)4-LS","","","- C16 H16 Fe N8 Pt -","- C16 H16 Fe N8 Pt -","- C32 H32 Fe2 N16 Pt2 -","2","0.5","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0299","0.0264","","","0.0769","0.0952","","","","","","1.226","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035322","17.118","0.00015","23.57334","0.00016","17.22285","0.00014","90","","110.997","0.001","90","","6488.42","0.1","123","1","123","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C152 H178 Mn2 P4.7 -","- C110 H130 Mn2 P4.7 -","- C220 H260 Mn4 P9.4 -","2","0.5","","Heinl, Sebastian; Balázs, Gábor; Bodensteiner, Michael; Scheer, Manfred","Synthesis and characterization of manganese triple-decker complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1962","1966","10.1039/c5dt01750e","","","1.54184","CuKα","","0.0652","0.0622","","","0.1802","0.184","","","","","","1.033","","","","has coordinates,has disorder","176076","2020-10-21","18:00:00",""
"7035368","9.9372","0.0002","15.6891","0.0003","10.8895","0.0002","90","","95.98","0.002","90","","1688.5","0.06","100","","100","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H34 Co3 Mo O9 P -","- C32 H34 Co3 Mo O9 P -","- C64 H68 Co6 Mo2 O18 P2 -","2","0.5","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","1.5418","CuKα","","0.0949","0.0921","","","0.2325","0.2395","","","","","","1.034","","","","has coordinates","176079","2020-10-21","18:00:00",""
"7035378","9.2987","0.0006","25.238","0.002","10.4915","0.0007","90","","100.394","0.005","90","","2421.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(OC-6-33)-bis(acetonitrile)dichlorobis{{1-[4-ethyl(tetrahydro-1,4-diazino)]methyl}diphenylphosphine-?P}ruthenium(II)","","- C43 H57 Cl5 N6 P2 Ru -","- C43 H57 Cl5 N6 P2 Ru -","- C86 H114 Cl10 N12 P4 Ru2 -","2","0.5","","Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Jeżowska-Bojczuk, Małgorzata; Stochel, Grażyna; Kyzioł, Agnieszka","New ruthenium(ii) coordination compounds possessing bidentate aminomethylphosphane ligands: synthesis, characterization and preliminary biological study in vitro.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13969","13978","10.1039/c5dt01119a","","x-ray","0.71073","MoKα","","0.0599","0.0465","","","0.0989","0.1054","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035543","7.6609","0.0015","21.518","0.004","12.258","0.003","90","","98.82","0.03","90","","1996.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H26 Ho N5 O17 -","- C34 H26 Ho N5 O17 -","- C68 H52 Ho2 N10 O34 -","2","0.5","","Du, Pei-Yao; Li, Hui; Fu, Xin; Gu, Wen; Liu, Xin","A 1D anionic lanthanide coordination polymer as an adsorbent material for the selective uptake of cationic dyes from aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13752","13759","10.1039/c5dt01848j","","","0.71073","MoKα","","0.0779","0.0734","","","0.1947","0.2019","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036238","10.7435","0.0006","21.4819","0.0012","10.7721","0.0007","90","","105.113","0.001","90","","2400.1","0.2","195","2","195","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Compound3","","- C12 H4 In2 O13 -","- C12 H4 In2 O13 -","- C48 H16 In8 O52 -","4","1","","Bu, Fei; Lin, Qipu; Zhai, Quan-Guo; Bu, Xianhui; Feng, Pingyun","Charge-tunable indium-organic frameworks built from cationic, anionic, and neutral building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16671","16674","10.1039/c5dt02861b","","","0.71073","MoKα","","0.0376","0.0279","","","0.0774","0.0804","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036283","10.1085","0.0013","18.918","0.002","11.0438","0.0015","90","","110.984","0.002","90","","1971.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H33 Cd3 N3 O18 -","- C33 H26 Cd3 N3 O18 -","- C66 H52 Cd6 N6 O36 -","2","0.5","","Jin, Jun-Cheng; Pang, Ling-Yan; Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu","Two porous luminescent metal-organic frameworks: quantifiable evaluation of dynamic and static luminescent sensing mechanisms towards Fe(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17222","17228","10.1039/c5dt03038b","","","0.71073","MoKα","","0.0496","0.0451","","","0.1505","0.154","","","","","","1.271","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036325","13.2689","0.0004","12.9252","0.0005","14.1556","0.0005","90","","90.676","0.002","90","","2427.56","0.15","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C43 H66 Cl3 Ga P4 -","- C43 H66 Cl3 Ga P4 -","- C86 H132 Cl6 Ga2 P8 -","2","0.5","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0716","0.0394","","","0.0823","0.0945","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036326","13.3333","0.0004","12.9538","0.0004","14.1349","0.0005","90","","91.834","0.002","90","","2440.09","0.14","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37.5 H61 Cl6 Ga P4 -","- C36 H59 Cl3 Ga P4 -","- C72 H118 Cl6 Ga2 P8 -","2","0.5","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0311","0.0259","","","0.071","0.0726","","","","","","1.092","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037050","13.7846","0.0008","31.0033","0.0014","17.7568","0.0008","90","","91.543","0.003","90","","7585.9","0.7","100","","100.03","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As3 Na15 O169 U6 W27 -","- As3 Na15 O169 U6 W27 -","- As6 Na30 O338 U12 W54 -","2","0.5","","Duval, Sylvain; Sobanska, Sophie; Roussel, Pascal; Loiseau, Thierry","B-α-[AsW9O33](9-) polyoxometalates incorporating hexanuclear uranium {U6O8}-like clusters bearing the U(IV) form or unprecedented mixed valence U(IV)/U(VI) involving direct U(VI)[double bond, length as m-dash]O-U(IV) bonding.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19772","19776","10.1039/c5dt02932e","","","0.71073","MoKα","","0.0696","0.038","","","0.0798","0.0934","","","","","","1.066","","","","has coordinates,has disorder","171134","2020-10-21","18:00:00",""
"7037312","11.1317","0.0017","24.757","0.004","17.083","0.003","90","","93.1","0.002","90","","4701","1.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C48 H54 B Cl Mn2 N4 O7 -","- C48 H54 B Cl Mn2 N4 O7 -","- C192 H216 B4 Cl4 Mn8 N16 O28 -","4","1","","Chakraborty, Prateeti; Majumder, Ishani; Banu, Kazi Sabnam; Ghosh, Bipinbihari; Kara, Hulya; Zangrando, Ennio; Das, Debasis","Mn(ii) complexes of different nuclearity: synthesis, characterization and catecholase-like activity.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","742","752","10.1039/c5dt03659c","","","0.71073","MoKα","","0.081","0.0557","","","0.1675","0.1888","","","","","","1.038","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7037674","16.729","0.003","18.897","0.004","17.003","0.003","90","","103.82","0.03","90","","5219.5","1.8","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C54 H49 As2 Cu3 N9 O73 W18 -","- C54 H42 As2 Cu3 N9 O73 W18 -","- C108 H84 As4 Cu6 N18 O146 W36 -","2","0.5","","Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2562","2573","10.1039/c5dt04413h","","","0.71073","MoKα","","0.0727","0.0463","","","0.1053","0.1143","","","","","","1.017","","","","has coordinates,has disorder","177818","2020-10-21","18:00:00",""
"7037890","8.328","0.006","5.868","0.004","9.078","0.006","90","","112.571","0.01","90","","409.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba Cu0.5 O4.5 P -","- Ba Cu0.5 O4.5 P -","- Ba4 Cu2 O18 P4 -","4","1","","Yang, Ming; Cui, Meiyan; Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; He, Zhangzhen","Two S = 1/2 one-dimensional barium copper phosphates showing antiferromagnetic and ferromagnetic intrachain interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3319","3326","10.1039/c5dt03725e","","","0.71073","MoKα","","0.0232","0.0206","","","0.0497","0.0612","","","","","","1.078","","","","has coordinates","177839","2020-10-21","18:00:00",""
"7038352","8.4739","0.0006","24.7199","0.0014","19.8286","0.0012","90","","95.685","0.002","90","","4133.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H59.97 Br0.03 Fe2 N5 O2.97 -","- C43 H59.9745 Br0.0255 Fe2 N5 O2.9745 -","- C172 H239.898 Br0.102 Fe8 N20 O11.898 -","4","1","","Gehring, Henrike; Metzinger, Ramona; Braun, Beatrice; Herwig, Christian; Harder, Sjoerd; Ray, Kallol; Limberg, Christian","An iron(ii) hydride complex of a ligand with two adjacent β-diketiminate binding sites and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2989","2996","10.1039/c5dt04266f","","","0.71073","MoKα","","0.0737","0.0541","","","0.1117","0.1194","","","","","","1.065","","","","has coordinates,has disorder","176317","2020-10-21","18:00:00",""
"7038412","12.398","0.003","33.496","0.007","12.868","0.003","90","","96.64","0.03","90","","5308","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl2.8 Fe4 Mn0 N12 O14 -","- C75 H66 Cl2.8 Fe4 N12 O14 -","- C150 H132 Cl5.6 Fe8 N24 O28 -","2","0.5","","Huxley, Michael; Coghlan, Campbell J.; Burgun, Alexandre; Tarzia, Andrew; Sumida, Kenji; Sumby, Christopher J.; Doonan, Christian J.","Site-specific metal and ligand substitutions in a microporous Mn(2+)-based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4431","4438","10.1039/c5dt05023e","","","0.71073","Synchrotron","","0.1288","0.1077","","","0.3112","0.3279","","","","","","1.301","","","","has coordinates,has disorder","177795","2020-10-21","18:00:00",""
"7038413","12.345","0.003","33.257","0.007","12.934","0.003","90","","96.66","0.03","90","","5274","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl0.8 Fe0.95 Mn2.45 N12 O13.2 -","- C75 H66 Cl0.8 Fe0.95 Mn2.45 N12 O13.2 -","- C150 H132 Cl1.6 Fe1.9 Mn4.9 N24 O26.4 -","2","0.5","","Huxley, Michael; Coghlan, Campbell J.; Burgun, Alexandre; Tarzia, Andrew; Sumida, Kenji; Sumby, Christopher J.; Doonan, Christian J.","Site-specific metal and ligand substitutions in a microporous Mn(2+)-based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4431","4438","10.1039/c5dt05023e","","","0.71073","Synchrotron","","0.1147","0.1036","","","0.2907","0.2994","","","","","","1.051","","","","has coordinates,has disorder","177795","2020-10-21","18:00:00",""
"7038429","9.6117","0.0008","11.6787","0.001","10.5243","0.001","90","","111.025","0.002","90","","1102.72","0.17","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H38 N2 O P Ru -","- C20 H38 N2 O P Ru -","- C40 H76 N4 O2 P2 Ru2 -","2","0.5","","Wambach, T. C.; Lenczyk, C.; Patrick, B. O.; Fryzuk, M. D.","Synthesis and coordination chemistry of tridentate (PNN) amine enamido phosphine ligands with ruthenium.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5583","5589","10.1039/c6dt00214e","","","0.71073","MoKα","","0.0298","0.0244","","","0.056","0.0586","","","","","","1.048","","","","has coordinates,has disorder","181633","2020-10-21","18:00:00",""
"7038430","8.9505","0.0003","18.1602","0.0007","9.8838","0.0003","90","","110.41","0.0017","90","","1505.69","0.09","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H43 Au Cl N3 -","- C30 H43 Au Cl N3 -","- C60 H86 Au2 Cl2 N6 -","2","0.5","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0624","0.0606","","","0.1222","0.123","","","","","","1.359","","","","has coordinates,has disorder","185381","2020-10-21","18:00:00",""
"7038731","16.235","0.008","9.365","0.005","16.264","0.008","90","","116.786","0.007","90","","2207.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H11.01 N4 O7 Zn2 -","- C30 H11 N3.99 O7 Zn2 -","- C60 H22 N7.98 O14 Zn4 -","2","0.5","","Ding, Qing-Rong; Wang, Fei","A pillared-layer framework with high uptake and selective sorption of light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7004","7007","10.1039/c6dt00238b","","","0.71073","MoKα","","0.1515","0.1079","","","0.3371","0.3859","","","","","","1.077","","","","has coordinates","182711","2020-10-21","18:00:00",""
"7038746","7.672","0.007","6.168","0.005","8.781","0.009","90","","111.232","0.014","90","","387.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H Mn O9 Pb2 V2 -","- H Mn O9 Pb2 V2 -","- H2 Mn2 O18 Pb4 V4 -","2","0.5","","Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; Tang, Yingying; Cui, Meiyan; He, Zhangzhen","Synthesis, characterization, and mechanism analysis of S = 2 quasi-one-dimensional ferromagnetic semiconductor Pb2Mn(VO4)2(OH).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7022","7027","10.1039/c6dt00412a","","","0.71073","MoKα","","0.0367","0.0324","","","0.0678","0.07","","","","","","1.062","","","","has coordinates","209503","2020-10-21","18:00:00",""
"7038831","6.5194","0.0006","30.015","0.003","12.7207","0.0011","90","","94.015","0.004","90","","2483.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H24 I6 N12 P1.08 Zn3 -","- C36 H24 I6 N12 P1.0804 Zn3 -","- C72 H48 I12 N24 P2.1608 Zn6 -","2","0.5","","Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki","Safe P4 reagent in a reusable porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6357","6360","10.1039/c6dt00860g","","","0.71073","MoKα","","0.0664","0.0481","","","0.0932","0.1001","","","","","","1.074","","","","has coordinates","182706","2020-10-21","18:00:00",""
"7038832","6.5441","0.0004","30.1738","0.0018","12.7487","0.0008","90","","93.705","0.003","90","","2512.1","0.3","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H24 I6 N12 P1.08 Zn3 -","- C36 H24 I6 N12 P1.0804 Zn3 -","- C72 H48 I12 N24 P2.1608 Zn6 -","2","0.5","","Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki","Safe P4 reagent in a reusable porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6357","6360","10.1039/c6dt00860g","","","0.71073","MoKα","","0.0719","0.0464","","","0.0865","0.0951","","","","","","1.033","","","","has coordinates","182706","2020-10-21","18:00:00",""
"7038833","12.7069","0.0003","30.5552","0.0008","6.5079","0.0002","90","","95.488","0.002","90","","2515.19","0.12","134","2","134","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 I6 N12 P3.76 Zn3 -","- C36 I6 N12 P3.76 Zn3 -","- C72 I12 N24 P7.52 Zn6 -","2","0.5","","Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki","Safe P4 reagent in a reusable porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6357","6360","10.1039/c6dt00860g","powder diffraction","","0.65297","synchrotron","","0.01782","","","","","","0.01783","0.04738","0.1623","","","","","","","has coordinates","182706","2020-10-21","18:00:00",""
"7038834","6.6025","0.0006","30.199","0.003","12.8199","0.0012","90","","90.491","0.003","90","","2556.1","0.4","300","2","300","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H24 I6 N12 P1.08 Zn3 -","- C36 H24 I6 N12 P1.08 Zn3 -","- C72 H48 I12 N24 P2.16 Zn6 -","2","0.5","","Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki","Safe P4 reagent in a reusable porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6357","6360","10.1039/c6dt00860g","","","0.71073","MoKα","","0.0807","0.0554","","","0.0987","0.1071","","","","","","1.041","","","","has coordinates","182706","2020-10-21","18:00:00",""
"7039025","8.517","0.0006","6.232","0.0003","8.78","0.0006","90","","112.358","0.003","90","","430.99","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H11 N O2 Zn -","- C8 H11 N O2 Zn -","- C16 H22 N2 O4 Zn2 -","2","0.5","","Wróbel, Zbigniew; Justyniak, Iwona; Dranka, Izabela; Lewiński, Janusz","Structural diversity of alkylzinc complexes with pyrrole-based N,O-ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7240","7243","10.1039/c6dt00674d","","","0.71073","MoKα","","0.0488","0.0398","","","0.0847","0.0899","","","","","","1.096","","","","has coordinates","182749","2020-10-21","18:00:00",""
"7039321","17.353","0.002","30.453","0.003","17.511","0.002","90","","119.547","0.002","90","","8050.3","1.5","291","2","291","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C84 H72 N12 Nd8 O104 Si W12 -","- C84 H72 N12 Nd8 O104 Si W12 -","- C168 H144 N24 Nd16 O208 Si2 W24 -","2","0.5","","Zhu, Wen-Hua; Zeng, Min; Wang, Juan; Li, Chen-Yang; Tian, Li-Hong; Yin, Jia-Cheng; Liu, Yu-Kun","A multifunctional lanthanide metal-organic framework supported by Keggin type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10141","10145","10.1039/c6dt00428h","","","0.71073","MoKα","","0.0479","0.0348","","","0.1037","0.1269","","","","","","1.07","","","","has coordinates,has disorder","185359","2020-10-21","18:00:00",""
"7039458","10.2527","0.0005","6.6903","0.0003","12.3307","0.0006","90","","109.737","0.002","90","","796.12","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Tolylpyridine methyl acetonitrile gold(III)","'[2-(4-tolyl)pyridine-κ^2^N,C^7^](acetonitrile-κN)methylgold(III) tetrafluoroborate'","","- C15 H16 Au B F4 N2 -","- C15 H16 Au B F4 N2 -","- C30 H32 Au2 B2 F8 N4 -","2","0.5","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tråseth, Eline Aasen; Heyn, Richard H.; Tilset, Mats","Small-molecule activation at Au(iii): metallacycle construction from ethylene, water, and acetonitrile.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14719","14724","10.1039/c6dt01648k","","","0.71073","MoKα","","0.0229","0.0221","","","0.0504","0.0507","","","","","","1.016","","","","has coordinates,has disorder","187141","2020-10-21","18:00:00",""
"7040243","8.271","0.0006","16.4657","0.0008","12.0613","0.0008","90","","109.724","0.005","90","","1546.23","0.18","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C28 H41 Cl2 N2 P Pd S2 Sn -","- C28 H41 Cl2 N2 P Pd S2 Sn -","- C56 H82 Cl4 N4 P2 Pd2 S4 Sn2 -","2","0.5","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0507","0.0303","","","0.0613","0.0665","","","","","","1.021","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040324","5.1039","0.0001","16.8784","0.0001","6.6915","0.0001","90","","105.28","0.01","90","","556.07","0.03","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Hg2 O4 S -","- C8 H8 Hg2 O4 S -","- C16 H16 Hg4 O8 S2 -","2","0.5","","Lannes, A.; Manceau, A.; Rovezzi, M.; Glatzel, P.; Joly, Y.; Gautier-Luneau, I","Intramolecular Hgπ interactions of d-character with non-bridging atoms in mercury-aryl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14035","14038","10.1039/c6dt02200f","","","0.56087","AgKα","","0.1126","0.0915","","0.1087","0.0935","0.0854","","","","","","1.0766","","","","has coordinates","187120","2020-10-21","18:00:00",""
"7040328","10.005","0.004","14.757","0.005","17.197","0.006","90","","100.266","0.005","90","","2498.4","1.6","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H26 Al4.5 N2 O44 W8.5 -","- C12 H6 Al4.5 N2 O44 W8.5 -","- C24 H12 Al9 N4 O88 W17 -","2","0.5","","Han, Zhangang; Zhang, Huixia; Yan, Jinshuang; Zhai, Xueliang","A highly aluminum-doped β-isomer Keggin-type tungstoaluminate.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14044","14048","10.1039/c6dt02618d","","","0.71073","MoKα","","0.0444","0.0404","","","0.1111","0.1141","","","","","","1.043","","","","has coordinates,has disorder","187127","2020-10-21","18:00:00",""
"7041530","7.7839","0.0016","6.5316","0.0013","10.911","0.002","90","","104.846","0.007","90","","536.21","0.18","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H7 Cu F2 N3 O3 -","- C8 H7 Cu F2 N3 O3 -","- C16 H14 Cu2 F4 N6 O6 -","2","0.5","","Liu, Xiangyu; Li, Feifei; Ma, Xiaohui; Cen, Peipei; Luo, Shuchang; Shi, Quan; Ma, Shenru; Wu, Yuewei; Zhang, Chengcheng; Xu, Zhao; Song, Weiming; Xie, Gang; Chen, Sanping","Coligand modifications fine-tuned the structure and magnetic properties of two triple-bridged azido-Cu(ii) chain compounds exhibiting ferromagnetic ordering and slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1207","1217","10.1039/c6dt04108f","","","0.71073","MoKα","","0.0516","0.0393","","","0.0919","0.0983","","","","","","1.064","","","","has coordinates","191620","2020-10-21","18:00:00",""
"7041540","10.4813","0.0011","16.0788","0.0017","14.7012","0.0016","90","","103.862","0.004","90","","2405.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[K(H2O)4][Mn(DPAAA)(H2O)]2","","- C16 H18 K0.5 Mn N3 O9 -","- C16 H18 K0.5 Mn N3 O9 -","- C64 H72 K2 Mn4 N12 O36 -","4","1","","Forgács, Attila; Pujales-Paradela, Rosa; Regueiro-Figueroa, Martín; Valencia, Laura; Esteban-Gómez, David; Botta, Mauro; Platas-Iglesias, Carlos","Developing the family of picolinate ligands for Mn(2+) complexation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1546","1558","10.1039/c6dt04442e","","","0.71073","MoKα","","0.0903","0.0769","","","0.2282","0.2411","","","","","","0.977","","","","has coordinates,has disorder","191660","2020-10-21","18:00:00",""
"7041874","17.3199","0.001","6.76","0.0003","21.6583","0.0012","90","","113.216","0.004","90","","2330.5","0.2","180.15","","180.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H49 F6 N10 P Pt -","- C42 H46 F6 N9 P Pt -","- C84 H92 F12 N18 P2 Pt2 -","2","0.5","","Schäfer, Bernhard; Bauer, Thomas; Faus, Isabelle; Wolny, Juliusz A.; Dahms, Fabian; Fuhr, Olaf; Lebedkin, Sergei; Wille, Hans-Christian; Schlage, Kai; Chevalier, Katharina; Rupp, Fabian; Diller, Rolf; Schünemann, Volker; Kappes, Manfred M.; Ruben, Mario","A luminescent Pt2Fe spin crossover complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2289","2302","10.1039/c6dt04360g","","","0.71073","MoKα","","0.0525","0.049","","","0.1254","0.1273","","","","","","1.102","","","","has coordinates","193825","2020-10-21","18:00:00",""
"7042142","14.2949","0.0015","19","0.002","16.6852","0.0018","90","","108.847","0.002","90","","4288.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H76 O100 P2 Pr3 Ta3 W15 -","- H44 O96.5 P2 Pr3 Ta3 W15 -","- H88 O193 P4 Pr6 Ta6 W30 -","2","0.5","","Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian","Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4157","4160","10.1039/c7dt00091j","","","0.71073","MoKα","","0.0847","0.058","","","0.1567","0.1888","","","","","","1.042","","","","has coordinates","195071","2020-10-21","18:00:00",""
"7042143","14.3527","0.0003","18.9578","0.0004","16.8222","0.0004","90","","109.311","0.0012","90","","4319.71","0.17","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H76 La3 O100 P2 Ta3 W15 -","- H44 La3 O99 P2 Ta3 W15 -","- H88 La6 O198 P4 Ta6 W30 -","2","0.5","","Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian","Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4157","4160","10.1039/c7dt00091j","","","0.71073","MoKα","","0.0965","0.0797","","","0.227","0.2539","","","","","","1.054","","","","has coordinates","195071","2020-10-21","18:00:00",""
"7042144","14.2865","0.0008","18.8099","0.0011","16.7573","0.0009","90","","109.172","0.0012","90","","4253.4","0.4","103","2","103","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H78 Nd3 O101 P2 Ta3 W15 -","- H44 Nd3 O98.5 P2 Ta3 W15 -","- H88 Nd6 O197 P4 Ta6 W30 -","2","0.5","","Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian","Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4157","4160","10.1039/c7dt00091j","","","0.71073","MoKα","","0.074","0.0581","","","0.1695","0.199","","","","","","1.1","","","","has coordinates","195071","2020-10-21","18:00:00",""
"7042145","14.372","0.015","19.14","0.02","16.77","0.018","90","","108.723","0.012","90","","4369","8","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ce3 H76 O100 P2 Ta3 W15 -","- Ce3 H42 O97.5 P2 Ta3 W15 -","- Ce6 H84 O195 P4 Ta6 W30 -","2","0.5","","Peng, Qingpo; Li, Shujun; Wang, Ruoya; Liu, Shuxia; Xie, Linhua; Zhai, Jianxin; Zhang, Jie; Zhao, Qianyi; Chen, Xuenian","Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting materials.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4157","4160","10.1039/c7dt00091j","","","0.71073","MoKα","","0.0631","0.0413","","","0.1086","0.1388","","","","","","1.073","","","","has coordinates","195071","2020-10-21","18:00:00",""
"7043512","9.4152","0.0013","17.442","0.002","10.6017","0.0016","90","","106.857","0.003","90","","1666.2","0.4","138","","138","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H52 B Co N7 O3 -","- C30 H52 B Co N7 O3 -","- C60 H104 B2 Co2 N14 O6 -","2","0.5","","Fujisawa, Kiyoshi; Soma, Shoko; Kurihara, Haruka; Dong, Hai Thanh; Bilodeau, Max; Lehnert, Nicolai","A Cobalt-Nitrosyl Complex with a Hindered Hydrotris(pyrazolyl)borate Coligand: Detailed Electronic Structure, and Reactivity towards Dioxygen","Dalton Trans.","2017","","","","","10.1039/C7DT01565H","","","0.71075","MoKα","","0.0311","0.0276","","","0.0708","0.0727","","","","","","1.054","","","","has coordinates","198447","2020-10-21","18:00:00",""
"7043692","8.2517","0.0004","10.2422","0.0006","8.9263","0.0005","90","","92.507","0.005","90","","753.69","0.07","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 B N6 Re -","- C15 H16 B N6 Re -","- C30 H32 B2 N12 Re2 -","2","0.5","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","0.71073","MoKα","","0.0398","0.0344","","","0.0691","0.0722","","","","","","1.051","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7044366","20.9913","0.0012","10.6874","0.0006","23.2926","0.0013","90","","115.619","0.002","90","","4711.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H22 I2 N4 U -","- C22 H22 I2 N4 U -","- C176 H176 I16 N32 U8 -","8","2","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0671","0.0652","","","0.1742","0.1755","","","","","","1.155","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044778","10.197","0.005","7.101","0.005","12.014","0.003","90","","99.124","0.002","90","","858.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H19 Cl N4 O Pt S -","- C16 H19 Cl N4 O Pt S -","- C32 H38 Cl2 N8 O2 Pt2 S2 -","2","0.5","","Marcos, Ismael; Ojea, Vicente; Vazquez-Garcia, Digna; Fernández Sánchez, Jesús José; Fernández, Alberto; Lopez-Torres, Margarita; Lado, Jorge; VILA, JOSE M","Preparation and characterization of terdentate [C,N,N] acetophenone and acetylpyridine hydrazone platinacycles. A DFT insight into the reaction mechanism","Dalton Transactions","2017","","","","","10.1039/C7DT03418K","","","0.71073","MoKα","","0.0326","0.0257","","","0.0558","0.0587","","","","","","1.031","","","","has coordinates","203210","2020-10-21","18:00:00",""
"7044793","10.0065","0.0006","17.7675","0.001","11.8168","0.0008","90","","109.875","0.004","90","","1975.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H41 N8 O16 Tb -","- C35 H41 N8 O16 Tb -","- C70 H82 N16 O32 Tb2 -","2","0.5","","Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina","Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet","Dalton Transactions","2017","","","","","10.1039/C7DT03438E","","","0.71073","MoKα","","0.034","0.0307","","","0.0683","0.0693","","","","","","1.201","","","","has coordinates,has disorder","203321","2020-10-21","18:00:00",""
"7044794","10.057","0.0006","17.6505","0.0012","11.8657","0.0008","90","","110.362","0.004","90","","1974.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H38 Er N7 O16 -","- C33 H38 Er N7 O16 -","- C66 H76 Er2 N14 O32 -","2","0.5","","Fondo, Matilde; Corredoira-Vázquez, Julio; Herrera-Lanzós, Antia; Garcia-Deibe, Ana M.; Sanmartin Matalobos, Jesus; Herrera, Juan Manuel; Colacio, Enrique; Nuñez, Cristina","Improving the SMM and luminescent properties of lanthanide complexes with LnO9 cores in the presence of ZnII: an emissive Zn2Dy single ion magnet","Dalton Transactions","2017","","","","","10.1039/C7DT03438E","","","0.71073","MoKα","","0.1011","0.0789","","","0.1949","0.2152","","","","","","1.107","","","","has coordinates,has disorder","203321","2020-10-21","18:00:00",""
"7044904","7.2643","0.0002","22.2182","0.0007","7.5502","0.0002","90","","116.124","0.001","90","","1094.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H12 N8 O5 Sr -","- C18 H12 N8 O5 Sr -","- C36 H24 N16 O10 Sr2 -","2","0.5","","Nimax, Patrick R.; Sünkel, Karlheinz","Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","409","417","10.1039/c7dt03862c","","","0.71073","MoKα","","0.023","0.0205","","","0.0441","0.052","","","","","","1.183","","","","has coordinates","229563","2020-10-21","18:00:00",""
"7044905","7.183","0.0002","21.9235","0.0008","7.4531","0.0003","90","","115.695","0.001","90","","1057.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H12 Ca N8 O5 -","- C18 H12 Ca N8 O5 -","- C36 H24 Ca2 N16 O10 -","2","0.5","","Nimax, Patrick R.; Sünkel, Karlheinz","Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","409","417","10.1039/c7dt03862c","","","0.71073","MoKα","","0.0722","0.0491","","","0.0769","0.08","","","","","","1.132","","","","has coordinates","229563","2020-10-21","18:00:00",""
"7045029","8.0151","0.0007","9.9646","0.001","16.2762","0.0016","90","","102.854","0.004","90","","1267.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H27 Cl3 N5 O6 Pd -","- C20 H27 Cl3 N5 O5.624 Pd -","- C40 H54 Cl6 N10 O11.248 Pd2 -","2","0.5","","Tang, Fengzhi; Park, Sungho V.; Rath, Nigam P.; Mirica, Liviu M.","Electronic versus steric effects of pyridinophane ligands on Pd(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1151","1158","10.1039/c7dt04366j","","","0.71073","MoKα","","0.0349","0.0269","","","0.0607","0.0656","","","","","","1.044","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7045311","10.9332","0.0003","14.2445","0.0005","11.6132","0.0004","90","","105.928","0.0004","90","","1739.18","0.1","180","2","180","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H47 Al I N3 O3 Yb -","- C32 H46.5 Al I N3 O3 Yb -","- C64 H93 Al2 I2 N6 O6 Yb2 -","2","0.5","","García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.","Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2232","2239","10.1039/c7dt04657j","","","1.54184","CuKα","","0.0635","0.0497","","","0.129","0.14","","","","","","1.081","","","","has coordinates,has disorder","229787","2020-10-21","18:00:00",""
"7045782","11.5257","0.0009","16.4734","0.0013","14.0859","0.0012","90","","110.919","0.002","90","","2498.2","0.4","100","2","100","2","","","","","","","","10","P 1 21/m 1","-P 2yb","11","","","","- C56 H43 B Cl0.86 F2 I0.14 N2 O P2 Pd -","- C56 H43 B Cl0.86 F2 I0.14 N2 O P2 Pd -","- C112 H86 B2 Cl1.72 F4 I0.28 N4 O2 P4 Pd2 -","2","0.5","","Hussein, B. A.; Huynh, J. T.; Prieto, P. L.; Barran, C. P.; Arnold, A. E.; Sarycheva, O. V.; Lough, A. J.; Koivisto, B. D.","Molecular lemmings: strategies to avoid when designing BODIPY ferrocene dyads for dye-sensitized solar cell applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4916","4920","10.1039/C8DT00174J","","","0.71073","MoKα","","0.128","0.0624","","","0.1225","0.1404","","","","","","1.124","","","","has coordinates,has disorder","229776","2020-10-21","18:00:00",""
"7045887","5.6623","0.0001","14.2076","0.0003","7.7351","0.0002","90","","91.837","0.002","90","","621.95","0.02","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Catena-[2,4-di(pyrazol-1-yl)-1,3,5-triazine]silver(I)tetrafluoroborate","","- C9 H7 Ag B F4 N7 -","- C9 H7 Ag B F4 N7 -","- C18 H14 Ag2 B2 F8 N14 -","2","0.5","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0391","0.0379","","","0.1031","0.1061","","","","","","1.063","","","","has coordinates","229862","2020-10-21","18:00:00",""
"7045967","14.5956","0.0007","22.3215","0.0011","14.8504","0.0007","90","","91.11","0.001","90","","4837.3","0.4","296","2","296.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C9 H46 Ni3 O91 P2 Re3 W15 -","- C9 Ni3 O91 P2 Re3 W15 -","- C18 Ni6 O182 P4 Re6 W30 -","2","0.5","","Jia, Jiage; Ma, Pengtao; Zhang, Panpan; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Immobilization of carbonyl rhenium tripods on the surface of a trinickel-substituted Dawson-type polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6288","6292","10.1039/c8dt00138c","","","0.71073","MoKα","","0.0588","0.0406","","","0.0994","0.11","","","","","","1.016","","","","has coordinates,has disorder","229865","2020-10-21","18:00:00",""
"7046180","8.3554","0.0002","14.2243","0.0005","11.9797","0.0003","90","","106.219","0.002","90","","1367.12","0.07","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H26 Cl2 Cu2 N4 Si -","- C26 H26 Cl2 Cu2 N4 Si -","- C52 H52 Cl4 Cu4 N8 Si2 -","2","0.5","","Plajer, Alex J.; Colebatch, Annie L.; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7036","7043","10.1039/c8dt01332b","","","1.54178","CuKα","","0.0551","0.0424","","","0.1001","0.1067","","","","","","1.041","","","","has coordinates","229701","2020-10-21","18:00:00",""
"7046339","11.3041","0.0005","9.7028","0.0005","13.4827","0.0007","90","","101.228","0.004","90","","1450.5","0.13","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C30 H30 Cu F6 N O W -","- C30 H30 Cu F6 N O W -","- C60 H60 Cu2 F12 N2 O2 W2 -","2","0.5","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Preparation and characterisation of heterobimetallic copper-tungsten hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10595","10600","10.1039/c8dt01569d","","","0.71073","MoKα","","0.0494","0.0393","","","0.0757","0.0803","","","","","","1.105","","","","has coordinates,has disorder","229817","2020-10-21","18:00:00",""
"7046361","7.494","0.0002","17.6204","0.0004","12.3858","0.0003","90","","91.668","0.001","90","","1634.82","0.07","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 N6 O12 Pr -","- C28 H25 Br2 N6 O12 Pr -","- C56 H50 Br4 N12 O24 Pr2 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.0262","0.0241","","","0.058","0.0591","","","","","","1.033","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046362","7.4805","0.0001","17.5672","0.0003","12.3748","0.0002","90","","91.784","0.001","90","","1625.4","0.04","160","2","160","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 N6 O12 Sm -","- C28 H25 Br2 N6 O12 Sm -","- C56 H50 Br4 N12 O24 Sm2 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.021","0.019","","","0.0444","0.0452","","","","","","1.052","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046363","7.4579","0.0001","17.4427","0.0003","12.3564","0.0002","90","","91.846","0.001","90","","1606.56","0.04","170","2","170","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 Er N6 O12 -","- C28 H25 Br2 Er N6 O12 -","- C56 H50 Br4 Er2 N12 O24 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.0188","0.0173","","","0.0403","0.0409","","","","","","1.071","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046364","7.4676","0.0001","17.4621","0.0003","12.369","0.0002","90","","91.821","0.001","90","","1612.1","0.04","160","2","160","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 Dy N6 O12 -","- C28 H25 Br2 Dy N6 O12 -","- C56 H50 Br4 Dy2 N12 O24 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.0212","0.0194","","","0.0408","0.0415","","","","","","1.043","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046365","7.4712","0.0001","17.5324","0.0004","12.3673","0.0003","90","","91.817","0.001","90","","1619.15","0.06","160","2","160","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 Gd N6 O12 -","- C28 H25 Br2 Gd N6 O12 -","- C56 H50 Br4 Gd2 N12 O24 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.0254","0.023","","","0.054","0.055","","","","","","1.045","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046495","9.662","0.0007","16.212","0.0016","9.875","0.0004","90","0.007","104.96","0.006","90","0.006","1494.4","0.2","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H29 Li N3 P -","- C11 H31 Li N3 P -","- C44 H124 Li4 N12 P4 -","4","1","","Vrána, Jan; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","New synthetic strategies leading to [RNPNR]<sup>-</sup> anions and the isolation of the [P(Nt-Bu)<sub>3</sub>]<sup>3-</sup> trianion.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8434","8441","10.1039/c8dt02141d","","","0.71073","MoKα","","0.0529","0.0412","","","0.1084","0.1215","","","","","","1.091","","","","has coordinates","229654","2020-10-21","18:00:00",""
"7046879","9.6398","0.0006","18.9661","0.0011","12.4507","0.0007","90","","100.844","0.0008","90","","2235.7","0.2","158","2","158","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H58 Mg N6 S2 Si3 -","- C44 H58 Mg N6 S2 Si3 -","- C88 H116 Mg2 N12 S4 Si6 -","2","0.5","","Rauch, Michael; Parkin, Gerard","Insertion of CS<sub>2</sub> into the Mg-H bond: synthesis and structural characterization of the magnesium dithioformate complex, [Tism<sup>Pr<sup>i</sup>Benz</sup>]Mg(κ<sup>2</sup>-S<sub>2</sub>CH).","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12596","12605","10.1039/c8dt01947a","","","0.71073","MoKα","","0.0446","0.0358","","","0.0908","0.097","","","","","","1.04","","","","has coordinates","229920","2020-10-21","18:00:00",""
"7046944","4.9978","0.0006","6.6592","0.0008","11.1836","0.0013","90","","90.575","0.004","90","","372.19","0.08","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ca6.04 Li0.3 Mg1.96 O16 Si3.7 -","- Ca6.042 Li0.304 Mg1.958 O16 Si3.696 -","- Ca6.042 Li0.304 Mg1.958 O16 Si3.696 -","1","0.25","","Ji, Weiwei; Xia, Zhiguo; Liu, Ke; Ali Khan, Sayed; Hao, Luyuan; Xu, Xin; Yin, Liangjun; Molokeev, Maxim S.; Agathopoulos, Simeon; Yang, Wenyun; Ma, Xiaobai; Sun, Kai; da Silva, Ivan","The crystal structure and luminescence properties of a novel green-yellow emitting Ca<sub>1.5</sub>Mg<sub>0.5</sub>Si<sub>1-x</sub>Li<sub>x</sub>O<sub>4-δ</sub>:Ce<sup>3+</sup> phosphor with high quantum efficiency and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9834","9844","10.1039/c8dt02241k","","","0.71073","MoKα","","0.0393","0.0254","","","0.0428","0.0457","","","","","","1.064","","","","has coordinates","229174","2020-10-21","18:00:00",""
"7047542","11.219","0.002","25.594","0.005","14.172","0.003","90","","93.92","0.03","90","","4059.8","1.4","113","2","113","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H35 Ag Cl6 N O4 P2 -","- C35.5 H32.5 Ag Cl1.5 N O4 P2 -","- C142 H130 Ag4 Cl6 N4 O16 P8 -","4","1","","Yue, Kai; Guo, Yi-He; Pan, Jia-Qing; He, Kai; Qiao, Yuan-Yuan; Li, Qing-Shan; Xu, Feng-Bo","Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13689","13695","10.1039/c8dt02498g","","","0.71073","MoKα","","0.0421","0.0373","","","0.0906","0.0939","","","","","","1.032","","","","has coordinates,has disorder","230029","2020-10-21","18:00:00",""
"7047672","12.8448","0.0006","24.345","0.0014","13.5498","0.0007","90","","110.8","0.006","90","","3961","0.4","170","2","170","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C80 H67 Cl6 Fe4 N17 O9 -","- C80 H67 Cl6 Fe4 N17 O9 -","- C160 H134 Cl12 Fe8 N34 O18 -","2","0.5","","Ayad, Massinisa; Klein Gebbink, Robertus J. M.; Le Mest, Yves; Schollhammer, Philippe; Le Poul, Nicolas; Pétillon, François Y; Mandon, Dominique","Mononuclear iron(ii) complexes containing a tripodal and macrocyclic nitrogen ligand: synthesis, reactivity and application in cyclohexane oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15596","15612","10.1039/c8dt02952k","","x-ray","0.71073","MoKα","","0.1408","0.0749","","","0.1736","0.2199","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7047858","11.3206","0.0008","19.3232","0.0013","11.4459","0.0008","90","","105.226","0.0008","90","","2415.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H31 N3 O28 S4 V6 -","- C18.998 H11 N2.999 O28 S4 V6 -","- C37.996 H22 N5.998 O56 S8 V12 -","2","0.5","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.6939","synchrotron","","0.0599","0.0502","","","0.1569","0.1662","","","","","","1.062","","","","has coordinates,has disorder","229276","2020-10-21","18:00:00",""
"7048054","5.97","0.003","8.897","0.005","9.201","0.005","90","","97.38","0.008","90","","484.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 F10 N2 Sb2 -","- C10 H18 F10 N2 Sb2 -","- C10 H18 F10 N2 Sb2 -","1","0.25","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0649","0.0398","","","0.0715","0.0826","","","","","","1.067","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048057","5.9896","0.0016","8.66","0.002","8.905","0.002","90","","97.932","0.004","90","","457.48","0.19","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 As2 F10 N2 -","- C10 H18 As2 F10 N2 -","- C10 H18 As2 F10 N2 -","1","0.25","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0217","0.0184","","","0.0444","0.0456","","","","","","1.064","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048060","5.227","0.005","8.481","0.007","8.215","0.007","90","","100.37","0.012","90","","358.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H10 As2 F10 N2 -","- C8 H10 As2 F10 N2 -","- C8 H10 As2 F10 N2 -","1","0.25","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0315","0.0249","","","0.0478","0.049","","","","","","1.096","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048211","7.6519","0.0007","7.1833","0.0007","10.9347","0.0011","90","","100.319","0.002","90","","591.31","0.1","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2-Pyrazinacyl pyridinium iodide","","- C11 H10 I N3 O -","- C11 H10 I N3 O -","- C22 H20 I2 N6 O2 -","2","0.5","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","0.71073","MoKα","","0.0412","0.0277","","","0.0503","0.0534","","","","","","1.048","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048379","11.6086","0.0001","21.3061","0.0002","12.4395","0.0001","90","","102.909","0.001","90","","2998.95","0.05","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H31 B3 F12 N7 Pd1.5 -","- C20 H31 B3 F12 N7 Pd1.5 -","- C80 H124 B12 F48 N28 Pd6 -","4","1","","Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide","Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","818","822","10.1039/c8dt04935a","","x-ray","1.54184","CuKα","","0.0371","0.0364","","","0.0992","0.0997","","","","","","1.086","","","","has coordinates,has disorder","224578","2020-10-21","18:00:00",""
"7048532","10.3686","0.0002","13.7276","0.0004","11.7088","0.0003","90","","113.686","0.0015","90","","1526.19","0.07","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Mg{(Me2pz)2CHSiMe2NiPr}({N(SiMe3)2}","","- C22 H50 Mg N6 Si3 -","- C22 H50 Mg N6 Si3 -","- C44 H100 Mg2 N12 Si6 -","2","0.5","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.08","0.0544","","0.0746","0.0607","0.0607","","","","","","1.1675","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7049145","8.9708","0.0003","19.9599","0.0006","10.2247","0.0003","90","","108.937","0.003","90","","1731.71","0.1","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37 H58 Al B N2 -","- C37 H58 Al B N2 -","- C74 H116 Al2 B2 N4 -","2","0.5","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","1.5418","CuKα","","0.0435","0.0387","","0.1039","0.0995","0.1039","","","","","","0.926","","","","has coordinates","223743","2020-10-21","18:00:00",""
"7049146","9.0194","0.0001","21.1266","0.0003","10.7665","0.0002","90","","113.865","0.002","90","","1876.14","0.06","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C39 H64 Al B N4 -","- C39 H64 Al B N4 -","- C78 H128 Al2 B2 N8 -","2","0.5","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","1.54184","CuKα","","0.04","0.0371","","","0.0934","0.0963","","","","","","1.048","","","","has coordinates","223743","2020-10-21","18:00:00",""
"7049149","9.1574","0.0018","20.084","0.004","10.311","0.002","90","","109.98","0.03","90","","1782.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H60 Al B N2 -","- C38 H60 Al B N2 -","- C76 H120 Al2 B2 N4 -","2","0.5","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","0.71073","MoKα","","0.0692","0.0484","","","0.1218","0.1339","","","","","","1.056","","","","has coordinates","223743","2020-10-21","18:00:00",""
"7049684","12.814","0.004","14.306","0.004","13.997","0.004","90","","102.174","0.008","90","","2508.2","1.3","200","2","199.94","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H54 Au Cl6 I2 N5 -","- C41 H54 Au Cl6 I2 N5 -","- C82 H108 Au2 Cl12 I4 N10 -","2","0.5","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0577","0.0471","","","0.1145","0.1202","","","","","","1.043","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7050087","6.0846","0.0002","15.6681","0.0004","8.6321","0.0003","90","","96.589","0.001","90","","817.5","0.04","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 Ag B F4 N5 -","- C14 H13 Ag B F4 N5 -","- C28 H26 Ag2 B2 F8 N10 -","2","0.5","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0471","0.0305","","","0.0725","0.0787","","","","","","1.037","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050090","6.0509","0.0002","15.8105","0.0004","8.6688","0.0002","90","","97.244","0.001","90","","822.71","0.04","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 Ag Cl N5 O4 -","- C14 H13 Ag Cl N5 O4 -","- C28 H26 Ag2 Cl2 N10 O8 -","2","0.5","","Kennedy, Alan R.; Brown, Karen G.; Graham, Duncan; Kirkhouse, Jennifer B.; Kittner, Madeleine; Major, Claire; McHugh, Callum J.; Murdoch, Paul; Smith, W. Ewen","Chromophore containing bipyridyl ligands. Part 1: supramolecular solid-state structure of Ag(i) complexes","New Journal of Chemistry","2005","29","6","826","","10.1039/b500698h","","","0.71073","MoKα","","0.0308","0.0253","","","0.0625","0.0653","","","","","","1.025","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050757","14.0317","0.0007","21.9727","0.0014","16.3246","0.0007","90","","106.837","0.003","90","","4817.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C46 H71 N O9 U -","- C47.5 H51 N O9 U -","- C190 H204 N4 O36 U4 -","4","1","","Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre","Trigonal versus tetragonal or pentagonal coordination of the uranyl ion by hexahomotrioxacalix[3]arenes: solid state and solution investigations","New Journal of Chemistry","2002","26","1","120","","10.1039/b108947c","","","0.71073","MoKα","","0.0905","0.0566","","","0.136","0.1541","","","","","","1.056","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050934","10.242","0.004","17.141","0.006","16.496","0.006","90","","100.767","0.008","90","","2845","1.8","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H24 Cl2 N2.5 -","- C22 H24 Cl2 N2.5 -","- C88 H96 Cl8 N10 -","4","1","","Cole, Marcus L.; Jones, Cameron; Junk, Peter C.","Studies of the reactivity of N-heterocyclic carbenes with halogen and halide sources","New Journal of Chemistry","2002","26","10","1296","","10.1039/b204422f","","","0.71073","MoKα","","0.1278","0.0759","","","0.1946","0.2256","","","","","","0.956","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051495","4.5137","0.0012","7.925","0.002","8.898","0.002","90","","99.173","0.004","90","","314.24","0.14","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl2 N -","- C5 H5 Cl2 N -","- C10 H10 Cl4 N2 -","2","0.5","","Freytag, Matthias; Jones, Peter G.; Ahrens, Birte; Fischer, Axel","Hydrogen bonding and halogen...halogen contacts in 4-halopyridinium halides","New Journal of Chemistry","1999","","","","","10.1039/a906356k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051496","4.4705","0.0012","8.253","0.002","9.398","0.002","90","","98.945","0.006","90","","342.49","0.16","143","2","143","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Br2 N -","- C5 H5 Br2 N -","- C10 H10 Br4 N2 -","2","0.5","","Freytag, Matthias; Jones, Peter G.; Ahrens, Birte; Fischer, Axel","Hydrogen bonding and halogen...halogen contacts in 4-halopyridinium halides","New Journal of Chemistry","1999","","","","","10.1039/a906356k","","","","","","","","","","","","","","","","","","","","","has coordinates","180068","2020-10-21","18:00:00",""
"7051778","8.8759","0.0008","12.7053","0.0012","16.6618","0.0015","90","","103.925","0.002","90","","1823.7","0.3","150","1","150","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C32 H18 N4 O14 -","- C32 H18 N4 O14 -","- C64 H36 N8 O28 -","2","0.5","","Sobransingh, David; Dewal, Mahender B.; Hiller, Jacob; Smith, Mark D.; Shimizu, Linda S.","Inclusion of electrochemically active guests by novel oxacalixarene hosts","New Journal of Chemistry","2008","32","1","24","","10.1039/b709806e","","","0.71073","MoKα","","0.0648","0.048","","","0.1206","0.1269","","","","","","1.032","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7052012","6.827","0.004","6.111","0.003","8.424","0.004","90","","90.313","0.008","90","","351.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","C4 H3 F N2 O2 , C H3 N O","5-Fluorouracil Formaide solvate (1/1)","","- C5 H6 F N3 O3 -","- C5 H6 F N3 O3 -","- C10 H12 F2 N6 O6 -","2","0.5","","Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The observed and energetically feasible crystal structures of 5-substituted uracils","New Journal of Chemistry","2008","32","10","1761","","10.1039/b806763e","","","0.71073","MoKα","","0.0476","0.0407","","","0.1061","0.1108","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052098","7.6971","0.0015","34.283","0.007","8.5201","0.0017","90","","111.43","0.03","90","","2092.8","0.8","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 Ho2 O34 S6 -","- C18 H44 Ho2 O34 S6 -","- C36 H88 Ho4 O68 S12 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.031","0.023","","0.15","","0.035","","","1.451","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052099","7.6711","0.0005","34.174","0.002","8.5082","0.0005","90","","111.555","0.001","90","","2074.5","0.2","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 O34 S6 Yb2 -","- C18 H44 O34 S6 Yb2 -","- C36 H88 O68 S12 Yb4 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.038","0.036","","0.065","","0.065","","","0.987","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052102","7.7426","0.0005","34.467","0.003","8.5532","0.0005","90","","111.174","0.001","90","","2128.4","0.3","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 Eu2 O34 S6 -","- C18 H44 Eu2 O34 S6 -","- C36 H88 Eu4 O68 S12 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.042","0.03","","0.103","","0.06","","","1.777","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052103","7.7246","0.0004","34.366","0.002","8.5388","0.0004","90","","111.327","0.001","90","","2111.51","0.19","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 O34 S6 Tb2 -","- C18 H44 O34 S6 Tb2 -","- C36 H88 O68 S12 Tb4 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.044","0.035","","0.054","","0.051","","","1.236","","","1.249","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052104","7.6984","0.0004","34.311","0.002","8.5293","0.0005","90","","111.463","0.001","90","","2096.7","0.2","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 O34 S6 Y2 -","- C18 H44 O34 S6 Y2 -","- C36 H88 O68 S12 Y4 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.052","0.039","","0.052","","0.05","","","1.203","","","1.249","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052105","7.664","0.0007","34.161","0.003","8.5009","0.0008","90","","111.641","0.001","90","","2068.7","0.3","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 Lu2 O34 S6 -","- C18 H44 Lu2 O34 S6 -","- C36 H88 Lu4 O68 S12 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.025","0.025","","0.023","","0.023","","","1.298","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052107","3.696","0.003","18.824","0.005","5.496","0.002","90","","94.76","0.04","90","","381.1","0.4","297","","297","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","guanidinium hydrogen fumarate","guanidinium hydrogen E-butenedicarboxylate","","- C5 H9 N3 O4 -","- C5 H9 N3 O4 -","- C10 H18 N6 O8 -","2","0.5","","Veneta Videnova-Adrabinska; Elżbieta Obara; Tadeusz Lis","Two-dimensional hydrogen-bonded networks in guanidinium hydrogen dicarboxylates","New Journal of Chemistry","2007","31","2","287","","10.1039/b614843c","","","0.71073","MoKα","","","0.053","","","","0.067","","","","","","2.17","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052177","6.35","0.0013","10.747","0.002","13.239","0.003","90","","92.69","0.03","90","","902.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H33 Al N2 O -","- C16 H33 Al N2 O -","- C32 H66 Al2 N4 O2 -","2","0.5","","Jones, Cameron; Rose, Richard P.","Synthesis and characterisation of tetramethylpiperidinyloxide (TEMPO) complexes of group 13 metal hydrides","New Journal of Chemistry","2007","31","8","1484","","10.1039/b702641b","","","0.71073","MoKα","","0.1041","0.0679","","","0.1507","0.1679","","","","","","1.072","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052178","6.35","0.0013","10.729","0.002","13.273","0.003","90","","92.61","0.03","90","","903.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H33 Ga N2 O -","- C16 H33 Ga N2 O -","- C32 H66 Ga2 N4 O2 -","2","0.5","","Jones, Cameron; Rose, Richard P.","Synthesis and characterisation of tetramethylpiperidinyloxide (TEMPO) complexes of group 13 metal hydrides","New Journal of Chemistry","2007","31","8","1484","","10.1039/b702641b","","","0.71073","MoKα","","0.0962","0.0897","","","0.2239","0.2302","","","","","","1.134","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052273","9.227","0.004","10.155","0.004","10.156","0.004","90","","106.496","0.007","90","","912.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H17 N4 O6 Re -","- C14 H17 N4 O6 Re -","- C28 H34 N8 O12 Re2 -","2","0.5","","Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel","Non-covalent interactions between anions and a cationic rhenium diamine complex: structural characterization of the supramolecular adducts","New Journal of Chemistry","2006","30","6","838","","10.1039/b602907h","","","0.71073","MoKα","","0.0457","0.0412","","","0.1078","0.1102","","","","","","1.057","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052443","12.599","0.003","11.177","0.002","13.217","0.003","90","","95.24","0.03","90","","1853.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H36 Cr2 O14 Sn2 -","- C26 H37 Cr2 O14 Sn2 -","- C52 H74 Cr4 O28 Sn4 -","2","0.5","","Veith, Michael; Ehses, Markus; Huch, Volker","Synthesis, solid-state molecular structure and solution dynamics of new alkoxy stannylene-transition metal complexes","New Journal of Chemistry","2005","29","1","154","","10.1039/b414662j","","","0.71073","MoKα","","0.0365","0.0331","","","0.0839","0.0868","","","","","","1.097","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052444","12.55","0.003","11.19","0.002","13.39","0.003","90","","94.97","0.03","90","","1873.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H36 Cr O14 Sn2 W -","- C26 H36 Cr O14 Sn2 W -","- C52 H72 Cr2 O28 Sn4 W2 -","2","0.5","","Veith, Michael; Ehses, Markus; Huch, Volker","Synthesis, solid-state molecular structure and solution dynamics of new alkoxy stannylene-transition metal complexes","New Journal of Chemistry","2005","29","1","154","","10.1039/b414662j","","","0.71073","MoKα","","0.0712","0.0616","","","0.1904","0.199","","","","","","1.707","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052520","7.3047","0.0007","6.7669","0.0006","13.444","0.002","90","","105.59","0.01","90","","640.09","0.13","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C26 H30 Cl2 N4 O2 -","2","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0365","0.037","","0.043","","0.043","","","3.015","","","3.02","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052521","7.313","0.001","6.668","0.002","13.644","0.002","90","","105.23","0.01","90","","642","0.2","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Cl2 N2 O -","- C8 H10 Cl N O0.5 -","- C16 H20 Cl2 N2 O -","2","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0384","0.038","","0.041","","0.041","","","2.693","","","2.69","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052941","6.8273","0.0006","12.263","0.0011","7.4173","0.0007","90","","97.954","0.002","90","","615.03","0.1","273","2","273","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C28 H24 N8 -","2","0.5","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0472","0.0434","","","0.1277","0.1329","","","","","","1.088","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7053090","9.7335","0.0019","17.276","0.004","10.034","0.002","90","","99.91","0.03","90","","1662.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H38 Fe N11 O12 Th -","- C18 H38 Fe N11 O12 Th -","- C36 H76 Fe2 N22 O24 Th2 -","2","0.5","","Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.; Conradson, Steven D.; Fillaux, Clara; Hennig, Christoph; Moisy, Philippe; Petit, Sébastien; Scheinost, Andreas C.; Shuh, David K.; Tyliszczak, Tolek; Auwer, Christophe Den","Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds","New Journal of Chemistry","2013","37","10","3003","","10.1039/c3nj00318c","","","0.71073","MoKα","","0.0478","0.0407","","","0.1066","0.1101","","","","","","1.08","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053389","14.2968","0.0002","36.8876","0.0003","14.6319","0.0002","90","","110.886","0.001","90","","7209.45","0.16","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C119 H170 Gd2 N2 O65 P2 S8 -","- C119 H102 Gd2 N2 O65 P2 S8 -","- C238 H204 Gd4 N4 O130 P4 S16 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Multi-component bi-layers featuring [1-octyl-2,3-dimethylimidazolium ∩p-sulfonatocalix[4]arene] supermolecules","New Journal of Chemistry","2010","34","3","414","","10.1039/b9nj00612e","","","0.71073","MoKα","","0.1322","0.0909","","","0.2241","0.2425","","","","","","1.002","","","","has coordinates,has disorder","180087","2020-10-21","18:00:00",""
"7053452","9.1","0.003","11.571","0.003","9.634","0.003","90","","105.692","0.003","90","","976.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H24 F3 In O8 -","- C14 H24 F3 In O8 -","- C28 H48 F6 In2 O16 -","2","0.5","","Cooper, Benjamin F. T.; Macdonald, Charles L. B.","Alternative syntheses of univalent indium salts including a direct route from indium metal","New Journal of Chemistry","2010","34","8","1551","","10.1039/c0nj00036a","","","0.71073","MoKα","","0.106","0.0552","","","0.0917","0.104","","","","","","0.989","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7054065","11.8427","0.0005","21.0984","0.0007","12.933","0.001","90","","103.303","0.006","90","","3144.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C50 H46 Cl F18 N14 O2 P3 Ru2 -","- C47 H40 Cl F18 N14 O P3 Ru2 -","- C94 H80 Cl2 F36 N28 O2 P6 Ru4 -","2","0.5","","Aguiló, Joan; Naeimi, Atena; Bofill, Roger; Mueller-Bunz, Helge; Llobet, Antoni; Escriche, Lluís; Sala, Xavier; Albrecht, Martin","Dinuclear ruthenium complexes containing a new ditopic phthalazin-bis(triazole) ligand that promotes metal‒metal interactions","New Journal of Chemistry","2014","38","5","1980","","10.1039/c3nj01209c","","","0.71073","MoKα","","0.0698","0.0485","","","0.1204","0.1298","","","","","","1.044","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054741","7.8481","0.0002","6.421","0.0001","13.8887","0.0003","90","","95.055","0.002","90","","697.17","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 N2 O8 V -","- C12 H11 N2 O8 V -","- C24 H22 N4 O16 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","1.54184","CuKα","","0.0335","0.0333","","","0.0913","0.0916","","","","","","1.089","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054742","8.1855","0.0002","6.5443","0.0002","13.8669","0.0003","90","","97.755","0.002","90","","736.03","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 N3 O7 V -","- C12 H12 N3 O7 V -","- C24 H24 N6 O14 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","1.54184","CuKα","","0.0367","0.0362","","","0.1009","0.1018","","","","","","1.058","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7055268","8.4029","0.0005","20.7542","0.0011","13.5645","0.0008","90","","99.439","0.002","90","","2333.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H20 Au N5 O3 -","- C12 H20.3333 Au N5 O3 -","- C72 H122 Au6 N30 O18 -","6","1.5","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.0365","0.0323","","","0.0767","0.0787","","","","","","1.117","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055657","8.2523","0.0005","12.0142","0.0006","19.6329","0.0008","90","","99.125","0.004","90","","1921.87","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Au S10 -","- C12 H12 Au S10 -","- C48 H48 Au4 S40 -","4","1","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0967","0.0555","","","0.1051","0.1198","","","","","","1.083","","","","has coordinates,has disorder","185604","2020-10-21","18:00:00",""
"7057084","10.9482","0.0007","11.7177","0.0007","11.9192","0.0007","90","","97.126","0.002","90","","1517.28","0.16","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H25 Ag4 Cd2 N10 O7 -","- C14 H25 Ag4 Cd2 N10 O7 -","- C28 H50 Ag8 Cd4 N20 O14 -","2","0.5","","Karadağ, Ahmet; Korkmaz, Nesrin; Aydın, Ali; Tekin, Şaban; Yanar, Yusuf; Yerli, Yusuf; Korkmaz, Şengül Aslan","In vitro biological properties and predicted DNA‒BSA interaction of three new dicyanidoargentate(i)-based complexes: synthesis and characterization","New Journal of Chemistry","2018","42","6","4679","","10.1039/C7NJ04796G","","","0.71073","MoKα","","0.0452","0.0445","","","0.136","0.1364","","","","","","1.069","","","","has coordinates","230310","2020-10-21","18:00:00",""
"7057356","9.3023","0.0007","7.2775","0.0005","20.5704","0.0018","90","","96.422","0.008","90","","1383.83","0.19","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H9 F4 I2 N O -","- C10 H9 F4 I2 N O -","- C40 H36 F16 I8 N4 O4 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0902","0.0498","","","0.1122","0.1501","","","","","","0.777","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057364","7.0063","0.0004","27.1389","0.0017","9.3619","0.0006","90","","98.44","0.005","90","","1760.82","0.19","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H12 F2 I N3 -","- C21 H12 F2 I N3 -","- C84 H48 F8 I4 N12 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0432","0.0279","","","0.0591","0.0623","","","","","","0.885","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057771","4.1335","0.0008","6.674","0.0013","9.1613","0.0018","90","","100.43","0.03","90","","248.56","0.09","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ba Cl Cu H3 O3 -","- Ba Cl Cu H3 O3 -","- Ba2 Cl2 Cu2 H6 O6 -","2","0.5","","Wang, Ming-Qing; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","BaCu(OH)3Cl: a new one-dimensional Mott insulator with a CuO2 chessboard layer","New Journal of Chemistry","2018","42","22","18077","","10.1039/C8NJ04266G","","","0.71073","MoKα","","0.027","0.0254","","","0.0617","0.0628","","","","","","1.034","","","","has coordinates","230218","2020-10-21","18:00:00",""
"7057906","9.0075","0.0008","6.8883","0.0008","10.3867","0.0011","90","","98.932","0.008","90","","636.64","0.12","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C32 H28 N4 O2 -","2","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0828","0.0694","","","0.1766","0.197","","","","","","1.062","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7058291","13.312","0.0006","20.1594","0.0009","14.3878","0.0006","90","","110.682","0.001","90","","3612.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C60 H48 Cl3 N15 O21 -","- C60 H45.5 Cl3 N15 O21 -","- C120 H91 Cl6 N30 O42 -","2","0.5","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","","0.71073","MoKα","","0.1119","0.08","","","0.2277","0.2541","","","","","","1.038","","","","has coordinates,has disorder","224834","2020-10-21","18:00:00",""
"7058874","13.1545","0.0004","19.3823","0.0006","13.5266","0.0004","90","","117.621","0.002","90","","3055.76","0.17","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","F-F6BsubPc","","","- C24 H6 B F7 N6 -","- C24 H6 B F7 N6 -","- C144 H36 B6 F42 N36 -","6","1.5","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.1858","0.0696","","","0.1533","0.2188","","","","","","1.017","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7059059","3.9752","0.0003","26.0148","0.0019","6.282","0.0005","90","","97.357","0.003","90","","644.3","0.09","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C9 H2 N5 -","- C9 H2 N5 -","- C18 H4 N10 -","2","0.5","","Nimax, Patrick R.; Zoller, Florian; Blockhaus, Tobias; Küblböck, Teresa; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","An aminotetracyanocyclopentadienide system: light-induced formation of a thermally stable cyclopentadienyl radical","New Journal of Chemistry","2020","44","1","72","78","10.1039/C9NJ04354C","","","0.71073","MoKα","","0.0942","0.0826","","","0.2233","0.2319","","","","","","1.051","","","","has coordinates","257691","2020-10-21","18:00:00",""
"7059402","4.5941","0.0013","8.419","0.002","8.95","0.003","90","","98.307","0.004","90","","342.53","0.17","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li Mg O P -","- Li0.5 Mg O5 P1.5 -","- Li2 Mg4 O20 P6 -","4","1","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.0316","0.0264","","","0.0717","0.075","","","","","","1.093","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059688","8.2405","0.0009","8.0958","0.0009","12.6129","0.0012","90","","106.571","0.001","90","","806.5","0.15","293","2","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","salt 3","","- C7 H12 Fe I3 N O3 -","- C7 H12 Fe I3 N O3 -","- C14 H24 Fe2 I6 N2 O6 -","2","0.5","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.089","0.0572","","","0.1447","0.1711","","","","","","1.04","","","","has coordinates,has disorder","257793","2020-10-21","18:00:00",""
"7059923","9.2818","0.0013","6.7034","0.001","14.154","0.002","90","","95.26","0.004","90","","876.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Tegafur Syringic acid","5-Fluoro-1-(tetrahydro-2-furyl)-uracil 4-hydroxy-3,5-dimethoxybenzoic acid","","- C8.5 H9.5 F0.5 N O4 -","- C8.5 H9.5 F0.5 N O4 -","- C34 H38 F2 N4 O16 -","4","1","","Yu, Yue-Ming; Yu, Ming-Chao; Wang, Ling-Yang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","A supramolecular adduct of tegafur and syringic acid: the first tegafur-nutraceutical cocrystal with perfected in vitro and in vivo characteristics as well as synergized anticancer activities","New Journal of Chemistry","2020","44","37","15994","16005","10.1039/D0NJ03033C","","","0.71073","MoKα","","0.1182","0.0729","","","0.1383","0.1523","","","","","","1.136","","","","has coordinates,has disorder","258893","2020-11-06","12:42:25",""
"7060077","10.2426","0.0004","20.049","0.0009","10.6372","0.0007","90","","92.955","0.002","90","","2181.49","0.19","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H65 Gd I2 N2 O3 -","- C41 H65 Gd I2 N2 O3 -","- C82 H130 Gd2 I4 N4 O6 -","2","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.029","0.0249","","","0.056","0.0579","","","","","","1.035","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060272","5.7481","0.0006","5.842","0.0007","9.9504","0.0011","90","","91.39","0.005","90","","334.04","0.06","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 N4 O4 -","- C3 H6 N4 O4 -","- C6 H12 N8 O8 -","2","0.5","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","1.54178","CuKα","","0.0377","0.0356","","","0.1017","0.1045","","","","","","1.146","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060288","11.1814","0.0002","23.0432","0.0004","16.9568","0.0004","90","","107.771","0.002","90","","4160.54","0.15","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C82 H97 Cd Cl2 N9 O8 S4 -","- C60 H52 Cd Cl2 N4 O8 S4 -","- C120 H104 Cd2 Cl4 N8 O16 S8 -","2","0.5","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","1.54184","CuKα","","0.0443","0.0388","","","0.1004","0.105","","","","","","0.969","","","","has coordinates,has disorder","262691","2021-03-05","02:19:32",""
"7060494","13.067","0.0006","22.5859","0.0011","14.0988","0.0006","90","","114.929","0.001","90","","3773.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C78 H72 Ag3 F3 O8 P6 S -","- C78 H70 Ag3 F3 O8 P6 S -","- C156 H140 Ag6 F6 O16 P12 S2 -","2","0.5","","Han, Chu-Xia; Shao, Zi-Mo; Li, Li; Zhou, Kun; Xue, Chun-Hui; Chen, Bao-Kuan; Ji, Jiu-Yu; Bi, Yan-Feng","Trinuclear cationic silver nanoclusters based-on bis-(phosphine) ligands and stabilized by CF3SO3− anions","New Journal of Chemistry","2021","45","17","7555","7563","10.1039/D1NJ00873K","","","0.71073","MoKα","","0.0461","0.0366","","","0.0806","0.0882","","","","","","1.094","","","","has coordinates,has disorder","266122","2021-06-05","19:18:33",""
"7061136","9.5221","0.0004","20.0965","0.0007","16.7407","0.0005","90","","105.965","0.004","90","","3080","0.2","287.64","0.16","287.64","0.16","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H20 Cl N2 O7 Re -","- C31 H20 Cl N2 O7 Re -","- C124 H80 Cl4 N8 O28 Re4 -","4","1","","Zhou, Qian-hua; Pan, Ming-yue; He, Qi; Tang, Qian; Chow, Cheuk-fai; Gong, Cheng-bin","Electrochromic behavior of fac-tricarbonyl rhenium complexes","New Journal of Chemistry","2022","46","3","1072","1079","10.1039/D1NJ04955K","","x-ray","0.71073","MoKα","","0.0696","0.044","","","0.0949","0.1039","","","","","","1.026","","","","has coordinates,has disorder","272737","2022-02-04","19:56:36",""
"7061615","9.1828","0.0009","6.5037","0.0008","11.7685","0.0013","90","","95.504","0.003","90","","699.6","0.13","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H22 N18 O10 -","- C16 H22 N18 O10 -","- C16 H22 N18 O10 -","1","0.25","","Hu, Yong; Lu, Zu-Jia; Dong, Wen-Shuai; Zhang, Jian-Guo; Sinditskii, Valery P.","Detonation performance enhancement through a positional isomerism modification strategy","New Journal of Chemistry","2022","46","29","13874","13879","10.1039/D2NJ02515A","","","0.71073","MoKα","","0.1166","0.06","","","0.1185","0.1349","","","","","","1.065","","","","has coordinates","277114","2022-08-06","11:54:45",""
"7062462","10.0472","0.0008","16.5358","0.0013","10.2478","0.0009","90","","114.133","0.002","90","","1553.7","0.2","296","2","296.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H27 N4 O10 Zn -","- C35 H27 N4 O10 Zn -","- C70 H54 N8 O20 Zn2 -","2","0.5","","Geng, Jun; Sun, Jiaxin; Lin, Hongyan; Wang, Xiuli","Metal-regulated d10 coordination polymers constructed from bis(pyridyl)-bis(amide) ligands with different spacers as high-efficiency fluorescence sensors for identifying chlortetracycline and furaltadone","New Journal of Chemistry","2023","47","20","9701","9707","10.1039/D3NJ01538F","","","0.71073","MoKα","","0.1044","0.0534","","","0.1091","0.1256","","","","","","1.032","","","","has coordinates","284298","2023-06-05","04:45:25",""
"7062597","10.834","0.002","6.986","0.0014","12.941","0.003","90","","102.9","0.03","90","","954.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H18 Cd N4 O4 -","- C18 H18 Cd N4 O4 -","- C36 H36 Cd2 N8 O8 -","2","0.5","","Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab","Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study","New Journal of Chemistry","2023","47","32","15209","15218","10.1039/D3NJ01175E","","","0.71073","MoKα","","0.0453","0.0331","","","0.0703","0.0724","","","","","","0.96","","","","has coordinates","286159","2023-09-05","20:07:32",""
"7062709","5.0231","0.0005","10.8971","0.0009","10.2026","0.0009","90","","96.6","0.003","90","","554.76","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H8 Ag Cl N4 O7 -","- C6 H8 Ag Cl N4 O7 -","- C12 H16 Ag2 Cl2 N8 O14 -","2","0.5","","Zhang, Chao; Wang, Ting-wei; Lu, Zu-jia; Yi, Zhen-xin; Kuang, Bao-long; Xie, Zhi-ming; Li, Yan; Zhang, Jian-guo","Constructing a graphene-like structure to lower friction sensitivity: Ag(i) complexes based on furan-2,5-dicarbohydrazide","New Journal of Chemistry","2023","47","37","17592","17598","10.1039/D3NJ02775A","","","0.71073","MoKα","","0.0557","0.0452","","","0.1098","0.1146","","","","","","1.062","","","","has coordinates,has disorder","286761","2023-10-06","00:29:04",""
"7062884","8.5356","0.0004","11.9051","0.0006","10.5692","0.0004","90","","112.35","0.001","90","","993.33","0.08","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H8 N4 O2 S -","- C7 H8 N4 O2 S -","- C28 H32 N16 O8 S4 -","4","1","","Lakeev, Alexander P.; Sukhikh, Taisiya S.; Kurzina, Irina A.; Korotchenko, Natalia M.; Nikitin, Dmitriy S.","Salts of barbituric and 2-thiobarbituric acids with imidazole: polymorphism, supramolecular structure, thermal stability and water solubility","New Journal of Chemistry","2023","47","47","21790","21803","10.1039/D3NJ04516A","","","0.71073","MoKα","","0.0433","0.0342","","","0.0828","0.089","","","","","","1.05","","","","has coordinates","288849","2024-01-06","08:57:15",""
"7062908","9.2737","0.0013","6.2094","0.0008","9.4529","0.0012","90","","114.864","0.016","90","","493.88","0.13","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4-amino-3,8-dinitro-pyrazolo[5,1-c][1,2,4]triazine","","- C5 H7 N7 O6 -","- C5 H7 N7 O6 -","- C10 H14 N14 O12 -","2","0.5","","Shi, Haichuan; Wang, Yuqing; Wang, Xinyu; Zhang, Xiaotian; Huang, Ming; Yang, Haijun; Luo, Zhenghang","Concise synthesis of a fused energetic pyrazolotriazine with good performance","New Journal of Chemistry","2024","48","3","1212","1216","10.1039/D3NJ04391F","","","0.71073","MoKα","","0.1584","0.0837","","","0.1914","0.2129","","","","","","0.947","","","","has coordinates,has disorder","289603","2024-02-04","12:25:46",""
"7100478","10.06","0.0006","7.2712","0.0005","15.639","0.001","90","","97.458","0.001","90","","1134.29","0.13","243","2","243","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-Chloro-4'-nitrodiphenyl ether","","","- C12 H8 Cl N O3 -","- C12 H8 Cl N O3 -","- C48 H32 Cl4 N4 O12 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100834","6.0103","0.0002","14.876","0.0004","13.4368","0.0004","90","","92.226","0.0013","90","","1200.47","0.06","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H29 Cl3 Ga N4 P -","- C18 H29 Cl3 Ga N4 P -","- C36 H58 Cl6 Ga2 N8 P2 -","2","0.5","","Alexander Villinger; Peter Mayer; Axel Schulz","GaCl3 Assisted [2+3] Cycloaddition: A Route to Tetrazaphospholes","Chemical Communications","2006","","","","","10.1039/b517459g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180110","2020-10-21","18:00:00",""
"7100893","9.1431","0.0004","9.832","0.0005","11.071","0.0005","90","","112.697","0.001","90","","918.15","0.07","173","2","173","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Al Cl4 P2 Sb -","- C10 H18 Al Cl4 P2 Sb -","- C20 H36 Al2 Cl8 P4 Sb2 -","2","0.5","","C. Russell; Cheryl Fish; Michael Green; John C. Jeffery; Richard J. Kilby; Jason Martin Lynam; J. McGrady; Dimitrios Pantazis; Charlotte E. Willans","Cationic phosphorus/carbon/pnictogen cages isolobal to [C5R5]+","Chemical Communications","2006","","","","","10.1039/b517710c","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00",""
"7100943","8.7731","0.0007","25.689","0.002","11.033","0.0009","90","","101.834","0.004","90","","2433.7","0.3","423","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H52 N18 Nd2 O23 Ru3 -","- C24 H18 N18 Nd2 O23 Ru3 -","- C48 H36 N36 Nd4 O46 Ru6 -","2","0.5","","Mike Ward; Harry Adams; Stephen Faulkner; Juan-Manuel Herrera; Simon J. A. Pope","Polynuclear cyanoruthenate chromophores based on hexaaza-triphenylene containing up to twelve cyanides: photophysical and structural properties","Chemical Communications","2006","","","","","10.1039/b601876a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7101523","19.541","0.003","22.799","0.003","23.89","0.003","90","","103.095","0.002","90","","10366","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C138 H210 N12 P6 Pt3 Rh2 -","- C138 H210 N12 P6 Pt3 Rh2 -","- C276 H420 N24 P12 Pt6 Rh4 -","2","0.5","","Garrison, Jered C.; Panzner, Matthew J.; Custer, Paul D.; Reddy, D. Venkat; Rinaldi, Peter L.; Tessier, Claire A.; Youngs, Wiley J.","Synthesis and characterization of a trigonal bipyramidal supramolecular cage based upon rhodium and platinum metal centers","Chemical Communications (Cambridge, United Kingdom)","2006","","44","4644","4646","10.1039/b608991g","","","0.71073","MoKα","","0.1375","0.076","","","0.1775","0.1978","","","","","","0.823","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7101712","11.1816","0.0005","21.107","0.001","18.277","0.001","90","","106.687","0.003","90","","4131.9","0.4","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C146 H16 F16 -","- C146 H14 F16 -","- C292 H28 F32 -","2","0.5","","Goryunkov, Alexey A; Ioffe, Ilya N; Khavrel, Pavel A; Avdoshenko, Stanislav M; Markov, Vitaly Yu; Mazej, Z; Sidorov, Lev N; Troyanov, Sergey I","The former ""C60F16"" is actually a double-caged adduct: (C60F16)(C60).","Chemical communications (Cambridge, England)","2007","","7","704","706","10.1039/b615457c","","","0.91","synchrotron","","0.1103","0.0756","","","0.1815","0.1944","","","","","","1.355","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7102149","12.4953","0.0002","18.9054","0.0003","14.3412","0.0002","90","","109.26","0.0017","90","","3198.18","0.08","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C63 H99 N2 P Pb Si2 -","- C63 H99 N2 P Pb Si2 -","- C126 H198 N4 P2 Pb2 Si4 -","2","0.5","","Yao, Shenglai; Block, Stefan; Brym, Markus; Driess, Matthias","A new type of heteroleptic complex of divalent lead and synthesis of the P-plumbyleniophosphasilene, R2Si=P‒Pb(L): (L = β-diketiminate)","Chemical Communications (Cambridge, United Kingdom)","2007","","37","3844","3846","10.1039/b710888e","","","0.71073","MoKα","","0.0301","0.0219","","","0.0558","0.0616","","","","","","1.191","","","","has coordinates,has disorder","209731","2020-10-21","18:00:00",""
"7102175","8.5766","0.0003","7.0349","0.0003","10.6494","0.0005","90","","109.919","0.0015","90","","604.1","0.04","190","","190","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C30 H30 N2 O4 -","2","0.5","","Davies, Stephen G; Ling, Kenneth B; Roberts, Paul M; Russell, Angela J; Thomson, James E","Diastereoselective Simmons-Smith cyclopropanations of allylic amines and carbamates.","Chemical communications (Cambridge, England)","2007","","39","4029","4031","10.1039/b711358g","","","0.71073","MoKα","","0.1211","0.1044","","0.2144","0.2057","0.2144","","","","","","1.0452","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7103195","4.1931","0.0003","5.873","0.0003","6.757","0.0004","90","","97.553","0.005","90","","164.955","0.018","100","","100","1","","","","","","","?","4","P 1 21/m 1","-P 2yb","11","","Ag(Br)(NH3)","","- Ag Br H3 N -","- Ag Br H3 N -","- Ag2 Br2 H6 N2 -","2","0.5","","Chippindale, Ann M; Head, Laura E; Hibble, Simon J","Simple linear asymmetrical complexes of silver(I): NC-Ag-NH3 and Br-Ag-NH3.","Chemical communications (Cambridge, England)","2008","","26","3010","3012","10.1039/b803500h","","","0.71073","MoKα","","0.0317","0.0264","","0.0295","0.0295","0.0295","","","","","","0.8882","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103383","9.5227","0.0011","16.4203","0.0019","11.0548","0.0013","90","","103.81","0.002","90","","1678.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H42 Cl5 Cu N2 -","- C29 H42 Cl5 Cu N2 -","- C58 H84 Cl10 Cu2 N4 -","2","0.5","","Díez-González, Silvia; Stevens, Edwin D; Nolan, Steven P","A [(NHC)CuCl] complex as a latent Click catalyst.","Chemical communications (Cambridge, England)","2008","","39","4747","4749","10.1039/b806806b","","","0.71073","MoKα","","0.0379","0.0321","","","0.0775","0.0801","","","","","","1.055","","","","has coordinates,has disorder","180136","2020-10-21","18:00:00",""
"7103408","12.1402","0.0002","19.1486","0.0003","13.4922","0.0003","90","","105.653","0.002","90","","3020.18","0.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H52 Mo11 N7 O67 S V7 -","- Mo11 N7 O67 S V7 -","- Mo22 N14 O134 S2 V14 -","2","0.5","","Miras, Haralampos N; Stone, Daniel J; McInnes, Eric J L; Raptis, Raphael G; Baran, Peter; Chilas, George I; Sigalas, Michael P; Kabanos, Themistoklis A; Cronin, Leroy","Solution identification and solid state characterisation of a heterometallic polyoxometalate {Mo(11)V(7)}: [Mo(VI)(11)V(V)(5)V(IV)(2)O(52)(mu(9)-SO(3))](7-).","Chemical communications (Cambridge, England)","2008","","39","4703","4705","10.1039/b811279g","","","0.71073","MoKα","","0.0355","0.0301","","","0.0818","0.0843","","","","","","1.069","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103511","14.5411","0.0006","27.4775","0.0013","15.021","0.0006","90","","115.516","0.005","90","","5416.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C80 H99 Ag19 Cl F21 O14 -","- C80 H99 Ag19 Cl F21 O14 -","- C160 H198 Ag38 Cl2 F42 O28 -","2","0.5","","Bian, Shu-Dan; Wang, Quan-Ming","Snowman-like silver alkynyl cluster consolidated by templating chloride and peripheral trifluoroacetates.","Chemical communications (Cambridge, England)","2008","","43","5586","5588","10.1039/b812451e","","","1.54178","CuKα","","0.1295","0.1","","","0.2662","0.2801","","","","","","1.036","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7104103","7.9008","0.0012","18.7777","0.0019","10.3761","0.0017","90","","90.019","0.013","90","","1539.4","0.4","223","2","223","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H41 B Cl2 F4 Fe N2 -","- C32 H41 B Cl2 F4 Fe N2 -","- C64 H82 B2 Cl4 F8 Fe2 N4 -","2","0.5","","Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens","A stable crystalline N-heterocyclic carbene with a 1,1'-ferrocenediyl backbone.","Chemical communications (Cambridge, England)","2008","34","1","98","100","10.1039/b813809e","","","0.71073","MoKα","","0.1324","0.0542","","","0.0833","0.0984","","","","","","0.803","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104230","8.763","0.0018","14.817","0.003","13.295","0.003","90","","92.06","0.03","90","","1725.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H36 Cl2 N2 O7 S2 -","- C32 H36 Cl2 N2 O7 S2 -","- C64 H72 Cl4 N4 O14 S4 -","2","0.5","","Swamy, K M K; Kim, Ha Na; Soh, Jung Huyn; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung","Manipulation of fluorescent and colorimetric changes of fluorescein derivatives and applications for sensing silver ions.","Chemical communications (Cambridge, England)","2009","34","10","1234","1236","10.1039/b819538b","","","0.71073","MoKα","","0.1659","0.0641","","","0.1499","0.1674","","","","","","0.771","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104327","6.0213","0.0002","14.5533","0.0004","7.1466","0.0002","90","","102.484","0.003","90","","611.45","0.03","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cu N5 S3 -","- C7 H12 Cu N5 S3 -","- C14 H24 Cu2 N10 S6 -","2","0.5","","Bowmaker, Graham A; Hanna, John V; Skelton, Brian W; White, Allan H","Solvent-assisted solid-state synthesis: separating the chemical from the mechanical in mechanochemical synthesis.","Chemical communications (Cambridge, England)","2009","34","16","2168","2170","10.1039/b822370j","","","0.71073","MoKα","","0.0598","0.0345","","","0.0583","0.0632","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7104430","9.523","0.003","22.815","0.007","10.988","0.002","90","","103.112","0.004","90","","2324.9","1.1","298","1","298","1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C47 H42 Cl5 N O P2 Ru -","- C47 H38 Cl5 N O P2 Ru -","- C94 H76 Cl10 N2 O2 P4 Ru2 -","2","0.5","","Yamaguchi, Mamoru; Arikawa, Yasuhiro; Nishimura, Yoshimasa; Umakoshi, Keisuke; Onishi, Masayoshi","Vinylidene rutheniums with an electrostructurally-flexible NO ligand and their ruthenacyclobutene formation.","Chemical communications (Cambridge, England)","2009","34","20","2911","2913","10.1039/b821561h","","","0.7107","MoKα","","0.1348","0.0703","","","0.1711","0.191","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104814","20.537","0.009","46.147","0.012","21.106","0.006","90","","115.942","0.018","90","","17987","10","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C138 H117 Cl7.5 N42 O30.25 Zn4 -","- C138 H114 Cl7.5 N42 O30.25 Zn4 -","- C552 H456 Cl30 N168 O121 Zn16 -","4","1","","Bell, Zöe R.; Harding, Lindsay P.; Ward, Michael D.","Self-assembly of a molecular M8L12 cube having S6 symmetry","Chemical Communications (Cambridge, United Kingdom)","2003","","19","2432","2433","10.1039/b307172n","","","0.71073","MoKα","","0.296","0.1471","","","0.3539","0.4408","","","","","","1.142","","","","has coordinates,has disorder","209670","2020-10-21","18:00:00",""
"7105982","8.3866","0.0003","28.4107","0.0009","8.9081","0.0004","90","","117.935","0.001","90","","1875.21","0.12","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C54 H29 N O2 -","- C54 H29 N O2 -","- C108 H58 N2 O4 -","2","0.5","","Lingling Rong; Qiancai Liu; Yingbo Shi; Jie Tang","Fluoradenes via palladium-catalyzed intramolecular arylation","Chem.Commun.","2011","47","","2155","","10.1039/c0cc05004k","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106570","11.978","0.002","14.054","0.003","18.062","0.004","90","","108.83","0.03","90","","2877.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H42 Ag3 Cl2 N18 O15 -","- C45 H42 Ag3 Cl2 N18 O15 -","- C90 H84 Ag6 Cl4 N36 O30 -","2","0.5","","Jin Jin; Weiyin Wang; Yanhua Liu; Hongwei Hou; Yaoting Fan","A precise hexagonal octadecanuclear Ag macrocycle with significant luminescent properties","Chem.Commun.","2011","47","","7461","","10.1039/c1cc12142a","","","0.71073","MoKα","","0.1005","0.0923","","","0.2581","0.268","","","","","","1.178","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106582","10.6011","0.0007","20.9725","0.0015","11.2587","0.0008","90","","91.612","0.001","90","","2502.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H65 Cl4 N6 O6 S -","- C42 H65 Cl4 N6 O6 S -","- C84 H130 Cl8 N12 O12 S2 -","2","0.5","","Christopher J. Borman; Radu Custelcean; Ben P. Hay; Nathan L. Bill; Jonathan L. Sessler; Bruce A. Moyer","Supramolecular Organization of Calix[4]pyrrole with a Methyl-trialkylammonium Anion Exchanger Leads to Remarkable Reversal of Selectivity for Sulfate Extraction vs Nitrate","Chem. Commun.","2011","47","","7611","","10.1039/c1cc12060c","","","0.71073","MoKα","","0.1829","0.1469","","","0.41","0.4435","","","","","","1.684","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106954","13.3457","0.0007","19.5826","0.0009","14.055","0.0008","90","","99.793","0.002","90","","3619.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","AI5 cavitand","AI5 cavitand","","- C79 H93 Br2 N4 O12 -","- C79.5 H93.5 Br2 N4 O12 -","- C159 H187 Br4 N8 O24 -","2","0.5","","Christer B. Aakeroy; Arbin Rajbanshi; John Desper","Hydrogen-bond driven assembly of a molecular capsule facilitated by supramolecular chelation","Chem.Commun.","2011","47","","11411","","10.1039/c1cc14124d","","","0.71073","MoKα","","0.1321","0.0823","","","0.2499","0.2791","","","","","","1.251","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7107237","4.936","0.003","9.726","0.005","10.03","0.005","90","","95.299","0.005","90","","479.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H16 Cl N3 O3 S -","- C4 H16 Cl N3 O3 S -","- C8 H32 Cl2 N6 O6 S2 -","2","0.5","","Luke J. Murphy; Alex M. McPherson; Katherine N. Robertson; Jason A. C. Clyburne","Ionic Liquids and Acid Gas Capture: Water and Oxygen as Confounding Factors","Chem.Commun.","2012","48","","1227","","10.1039/c1cc16008g","","","0.71073","MoKα","","0.0386","0.0324","","","0.0802","0.0841","","","","","","1.063","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107261","8.9781","0.0009","21.304","0.002","12.944","0.0013","90","","104.866","0.002","90","","2392.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Uranyl(VI) Ar2NacNac Bis(N-MeIm) Iron(II) chloride MeIm","","- C45 H67 Cl Fe N8 O3 U -","- C45 H57 Cl Fe N8 O3 U -","- C90 H114 Cl2 Fe2 N16 O6 U2 -","2","0.5","","Michael Schettini; Guang Wu; Trevor Hayton","Synthesis and reactivity of a uranyl-imidazolyl complex","Chem.Commun.","2012","48","","1484","","10.1039/c1cc13192c","","","0.71073","MoKα","","0.0502","0.0342","","","0.0829","0.0933","","","","","","0.781","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107262","8.9376","0.0004","21.3006","0.001","12.9545","0.0006","90","","104.778","0.001","90","","2384.65","0.19","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Uranyl(VI) Ar2nacnac Bis(N-MeIm) Cobalt(II) Chloride MeIm","","- C45 H67 Cl Co N8 O3 U -","- C45 H57 Cl Co N8 O3 U -","- C90 H114 Cl2 Co2 N16 O6 U2 -","2","0.5","","Michael Schettini; Guang Wu; Trevor Hayton","Synthesis and reactivity of a uranyl-imidazolyl complex","Chem.Commun.","2012","48","","1484","","10.1039/c1cc13192c","","","0.71073","MoKα","","0.0527","0.0408","","","0.0963","0.1018","","","","","","1.004","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107582","10.639","0.005","6.969","0.003","13.26","0.006","90","","109.394","0.007","90","","927.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 Cl N4 O -","- C20 H22 Cl N4 O -","- C40 H44 Cl2 N8 O2 -","2","0.5","","Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis DfSouza; Yonshu Xie; Satyajit Sahu; Noelia M. Sanchez-Ballester; Gary J. Richards; Toshiyuki Mori; Katsuhiko Ariga","Antioxidant-substituted Tetrapyrazinoporphyrinazine as a Turn-on Fluorescent Sensor for Basic Anions","Chem.Commun.","2012","48","","3951","","10.1039/c2cc30712j","","","0.71073","MoKα","","0.0677","0.0499","","","0.1193","0.129","","","","","","1.027","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107749","11.5601","0.0009","17.6684","0.0014","14.8072","0.0012","90","","105.726","0.004","90","","2911.1","0.4","143","1","143","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C60 H78 Dy K N8 O8 -","- C60 H78 Dy K N8 O8 -","- C120 H156 Dy2 K2 N16 O16 -","2","0.5","","Ursula J.Williams; Brian D. Mahoney; Patrick T. DeGregorio; Patrick Carroll; Eiko Nakamaru-Ogiso; James M.Kikkawa; Eric J. Schelter","A comparison of the effects of symmetry and magnetoanisotropy on paramagnetic relaxation in related dysprosium single ion magnets","Chem.Commun.","2012","48","","5593","","10.1039/c2cc31227a","","","0.71073","MoKα","","0.0214","0.0175","","","0.0427","0.0442","","","","","","1.031","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107852","9.0864","0.0001","15.5733","0.0002","14.6129","0.0002","90","","99.328","0.001","90","","2040.46","0.04","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","[K(18-crown-6)][P3C2H2]","","- C14 H26 K O6 P3 -","- C14 H26 K O6 P3 -","- C56 H104 K4 O24 P12 -","4","1","","Robert S. P. Turbervill; Jose M. Goicoechea","Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies","Chem.Commun.","2012","48","","6100","","10.1039/c2cc32244g","","","1.54184","CuKα","","0.045","0.0433","","","0.117","0.1187","","","","","","1.068","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7107854","9.1068","0.0002","15.6018","0.0004","14.9447","0.0003","90","","98.208","0.002","90","","2101.63","0.08","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","[K(18-crown-6)][As3C2H2]","","- C14 H26 As3 K O6 -","- C14 H26 As3 K O6 -","- C56 H104 As12 K4 O24 -","4","1","","Robert S. P. Turbervill; Jose M. Goicoechea","Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies","Chem.Commun.","2012","48","","6100","","10.1039/c2cc32244g","","","1.54178","CuKα","","0.1155","0.1012","","","0.2778","0.2929","","","","","","1.076","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7107914","9.646","0.003","19.419","0.006","10.436","0.003","90","","110.175","0.003","90","","1834.9","1","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H46 B9 P2 Rh -","- C36 H46 B9 P2 Rh -","- C72 H92 B18 P4 Rh2 -","2","0.5","","Zi-Jian Yao; Xian-Kuan Huo; Guo-Xin Jin","Zwitterionic half-sandwich Rh and Ir complexes containing a diphosphine nido-carborane ligand: synthesis, structure transformation and application in H2 activation","Chem.Commun.","2012","48","","6714","","10.1039/c2cc32036c","","","0.71073","MoKα","","0.0588","0.0488","","","0.1288","0.1358","","","","","","1.065","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108059","7.9966","0.0004","6.5839","0.0002","9.9447","0.0004","90","","109.425","0.005","90","","493.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H11 Gd O8 -","- C5 H11 Gd O8 -","- C10 H22 Gd2 O16 -","2","0.5","","Giulia Lorusso; Maria Palacios; Gary Nichol; Euan Brechin; Olivier Roubeau; Marco Evangelisti","Increasing the dimensionality of cryogenic molecular coolers: Gd-based polymers and metal-organic frameworks","Chem.Commun.","2012","48","","7592","","10.1039/c2cc33485b","","","0.71073","MoKα","","0.0364","0.0302","","","0.0758","0.0819","","","","","","1.079","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108191","9.2798","0.0006","6.9773","0.0005","10.569","0.0008","90","","94.586","0.003","90","","682.13","0.08","93","2","93","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H17 N Si -","- C16 H17 N Si -","- C32 H34 N2 Si2 -","2","0.5","","Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo","Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes","Chem.Commun.","2012","48","","8541","","10.1039/c2cc34440h","","","0.71075","MoKα","","0.0452","0.0401","","","0.1113","0.117","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108231","9.8069","0.0012","20.416","0.002","10.8597","0.0011","90","","100.45","0.005","90","","2138.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H42 F9 N3 O9 S3 -","- C36 H42 F9 N3 O9 S3 -","- C72 H84 F18 N6 O18 S6 -","2","0.5","","Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo","Selective encapsulation of volatile and reactive methyl iodide","Chem.Commun.","2012","48","","8844","","10.1039/c2cc34346k","","","0.71073","MoKα","","0.0598","0.0439","","","0.1285","0.1438","","","","","","0.901","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108889","12.6816","0.0009","26.2169","0.0014","15.5404","0.001","90","","109.243","0.005","90","","4878.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H64 Cl28 Fe10 N12 O21 -","- C36 H48 Cl28 Fe10 N12 O16 -","- C72 H96 Cl56 Fe20 N24 O32 -","2","0.5","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0857","0.0596","","","0.1594","0.1726","","","","","","0.999","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7109475","8.9221","0.0011","21.208","0.002","9.106","0.001","90","","107.921","0.003","90","","1639.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H37 La O23 P6 -","- C18 H37 La O23 P6 -","- C36 H74 La2 O46 P12 -","2","0.5","","Sergio M. F. Vilela; Ana D. G. Firmino; Ricardo F. Mendes; Jose A. Fernandes; Duarte Ananias; Anabela A. Valente; Holger Ott; Luis D. Carlos; Joao Rocha; Joao P. C. Tome; Filipe A. Almeida Paz","Lanthanide-polyphosphonate coordination polymers combining catalytic and photoluminescence properties","Chem.Commun.","2013","49","","6400","","10.1039/c3cc42632g","","","0.71073","MoKα","","0.0705","0.0425","","","0.0793","0.0861","","","","","","1.05","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109604","8.4291","0.0003","33.6359","0.0011","11.6153","0.0003","90","","93.9449","0.001","90","","3285.37","0.18","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C75 H90 N6 -","- C75 H90 N6 -","- C150 H180 N12 -","2","0.5","","Yun-Ting Wang; Meng-Ting Chang; Gene-Hsiang Lee; Shie-Ming Peng; Ching-Wen Chiu","Planar tris-N-heterocyclic carbenes","Chem.Commun.","2013","49","","7258","","10.1039/c3cc43278e","","","0.71073","MoKα","","0.0843","0.0449","","","0.1145","0.1411","","","","","","1.062","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109895","7.5874","0.0003","6.8977","0.0004","12.9328","0.0005","90","","103.773","0.004","90","","657.38","0.05","100","7","100","7","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- C19 H12 -","- C19 H12 -","- C38 H24 -","2","0.5","","Bo Qian; Guoying Zhang; Yongzheng Ding; Hanmin Huang","Catalytic cross deoxygenative and dehydrogenative coupling of aldehydes and alkenes: a redox-neutral process to produce skipped dienes","Chem.Commun.","2013","49","","9839","","10.1039/c3cc45428b","","","1.5418","CuKα","","0.1006","0.0992","","","0.3323","0.3362","","","","","","3.22","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7110125","10.7521","0.0008","11.7077","0.0007","12.3439","0.001","90","","92.146","0.007","90","","1552.79","0.19","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H16.8 Cu2 N4 O7.4 -","- C8 H16.8 Cu2 N4 O7.4 -","- C32 H67.2 Cu8 N16 O29.6 -","4","1","","Dong-Dong Zhou; Chun-Ting He; Pei-Qin Liao; Wei Xue; Wei-Xiong Zhang; Hao-Long Zhou; Jie-Peng Zhang; Xiao-Ming Chen","A flexible porous Cu(II) bis-imidazolate framework with ultrahigh concentration of active sites for efficient and recyclable CO2 capture","Chem.Commun.","2013","49","","11728","","10.1039/c3cc46597g","","","1.54178","CuKα","","0.1011","0.0946","","","0.279","0.2837","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110356","12.4688","0.0009","22.658","0.004","16.318","0.002","90","","91.584","0.009","90","","4608.4","1","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","none","","","- C13 H17 K9 N12 Nb4 O13 Te4 -","- C13 K9 N12 Nb4 O13 Te4 -","- C52 K36 N48 Nb16 O52 Te16 -","4","1","","Fedin, Vladimir P.; Kalinina, Irina V.; Virovets, Alexander V.; Podberezskaya, Nina V.; Neretin, Ivan S.; Slovokhotov, Yuri L.","Synthesis and structure of a tetranuclear niobium telluride cuboidal cluster with a central μ4-O ligand","Chemical Communications","1998","","23","2579","","10.1039/a805956j","","","0.71069","MoKα","","0.0823","0.049","","","0.1151","0.1347","","","","","","1.022","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110530","7.698","0.002","11.321","0.002","11.356","0.002","90","","105.26","0.01","90","","954.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H27 F6 N3 S Si -","- C11 H27 F6 N3 S Si -","- C22 H54 F12 N6 S2 Si2 -","2","0.5","","Kolomeitsev, Alexander; Movchun, Valery; Rusanov, Eduard; Bissky, German; Lork, Enno; Röschenthaler, Gerd-Volker; Kirsch, Peer","Different fluoride anion sources and (trifluoromethyl)trimethylsilane: molecular structure of tris(dimethylamino)sulfonium bis(trifluoromethyl)trimethylsiliconate, the first isolated pentacoordinate silicon species with five Si‒C bonds","Chemical Communications","1999","","11","1017","","10.1039/a901953g","","","0.71073","MoKα","","0.0774","0.0476","","","0.1002","0.1157","","","","","","1.064","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110785","7.609","0.0006","11.0873","0.001","10.764","0.0009","90","","91.687","0.007","90","","907.69","0.13","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","{Cu^II^[14]aneS~4~-OBF~3~}(BF~4~)","[14]aneS~4~-6-oxy(trifluoro)borato-S,S,S,S,-mu-O-copper(II) tetrafluoroborate","","- C10 H19 B2 Cu F7 O S4 -","- C10 H19 B2 Cu F7 O S4 -","- C20 H38 B4 Cu2 F14 O2 S8 -","2","0.5","","Sutton, Liam R.; Blake, Alexander J.; Cooke, Paul A.; Schröder, Martin","A novel alkoxide bridging motif between boron trifluoride and copper(ii) in a crown thioether complex","Chemical Communications","2000","","7","563","","10.1039/a908778h","","","0.71073","MoKα","","0.0586","0.0464","","","0.1182","0.1325","","","","","","1.1","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7110815","9.7302","0.0013","25.44","0.003","10.8246","0.0014","90","","110.71","0.003","90","","2506.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C62 H58 Fe N4 O8 -","- C62 H58 Fe N4 O8 -","- C124 H116 Fe2 N8 O16 -","2","0.5","","MacGillivray, Leonard R.; Spinney, Heather A.; Reid, Jennifer L.; Ripmeester, John A.","Entrapment of ferrocenes within supramolecular, deep-cavity resorcin[4]arenes","Chemical Communications","2000","","6","517","","10.1039/a909745g","","","0.7107","MoKα","","0.1986","0.09","","","0.2075","0.2451","","","","","","0.941","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7111383","6.906","0.0014","10.705","0.002","16.144","0.003","90","","92.29","0.03","90","","1192.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H34 B Cl N4 O S2 -","- C21 H34 B Cl N4 O S2 -","- C42 H68 B2 Cl2 N8 O2 S4 -","2","0.5","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.; Tshabang, Never; Willis, Anthony C.","Caveats for poly(methimazolyl)borate chemistry: the novel inorganic heterocycles [H2C(mt)2BR2]Cl (mt = methimazolyl; BR2 = BH2, BH(mt), 9?BBN)","Chemical Communications","2004","","16","1878","1879","10.1039/b407733d","","","0.71073","MoKα","","0.0684","0.0537","","","0.1425","0.1518","","","","","","1.035","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111947","6.3264","0.0003","13.3644","0.0006","6.4349","0.0003","90","","90.023","0.004","90","","544.06","0.04","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C4 H12 Cd N10 -","- C4 H14 Cd N10 -","- C8 H28 Cd2 N20 -","2","0.5","","Zi-Yi Du; Ying-Ping Zhao; Wei-Xiong Zhang; Hao-Long Zhou; Chun-Ting He; Wei Xue; Bao-Ying Wang; Xiao-Ming Chen","Above-room-temperature ferroelastic phase transition in a perovskite-like compound [N(CH3)4][Cd(N3)3]","Chem.Commun.","2014","50","","1989","","10.1039/c3cc48581a","","","0.71073","MoKα","","0.0414","0.0303","","","0.0704","0.0763","","","","","","1.097","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7112058","13.0803","0.0004","17.4938","0.0006","17.6157","0.0005","90","","95.16","0.002","90","","4014.6","0.2","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C62 H67 Fe2 Mo2 N37 O9 -","- C62 H43 Fe2 Mo2 N37 O9 -","- C124 H86 Fe4 Mo4 N74 O18 -","2","0.5","","A. Mondal; Y. Li; L.-M. Chamoreau; M. Seuleiman; L. Rechignat; A. Bousseksou; M.-L. Boillot; R. Lescouēzec","Photo- and thermo-induced spin crossover in a cyanide-bridged {Mo^V^~2Fe^II^~2~} rhombus molecule","Chem.Commun.","2014","50","","2893","","10.1039/c3cc49164a","","","0.71073","MoKα","","0.0875","0.0516","","","0.1371","0.1587","","","","","","1.027","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112519","9.164","0.003","10.897","0.003","10.684","0.003","90","","105.708","0.003","90","","1027.1","0.5","198","1","198","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H18 Al Cl7 P2 Sn -","- C6 H18 Al Cl7 P2 Sn -","- C12 H36 Al2 Cl14 P4 Sn2 -","2","0.5","","MacDonald, Elizabeth; Doyle, Lauren; Chitnis, Saurabh S.; Werner-Zwanziger, Ulrike; Burford, Neil; Decken, Andreas","Me3P complexes of p-block Lewis acids SnCl4, SnCl3+ and SnCl2(2+).","Chemical communications (Cambridge, England)","2012","48","64","7922","7924","10.1039/c2cc33206j","","x-ray","0.71073","MoKα","","0.0262","0.0245","","","0.0662","0.0674","","","","","","1.069","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7113952","16.5997","0.0017","12.875","0.0014","18.2563","0.0019","90","","112.203","0.002","90","","3612.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[(Co2(OH)2(DPFN))2(k2,k2-PO4)][NO3]5","","","- C62 H61 Co4 F4 N18 O30 P -","- C62 H53 Co4 F4 N18 O30.02 P -","- C124 H106 Co8 F8 N36 O60.04 P2 -","2","0.5","","Timothy C. Davenport; Hyun S. Ahn; Micah S. Ziegler; T. Don Tilley","A molecular structural analog of proposed dinuclear active sites in cobalt-based water oxidation catalysts","Chem.Commun.","2014","50","","6326","","10.1039/C3CC46865H","","","0.71073","MoKα","","0.0907","0.0739","","","0.2159","0.2403","","","","","","1.034","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7114212","12.2497","0.0006","32.628","0.003","14.5421","0.0009","90","","92.655","0.007","90","","5806","0.7","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C88 H128 Cu12 K2 N6 O58 -","- C88 H72 Cu12 K2 N6 O58 -","- C176 H144 Cu24 K4 N12 O116 -","2","0.5","","Murugesu, Muralee; Anson, Christopher E.; Powell, Annie K.","Engineering of ferrimagnetic Cu12-cluster arrays through supramolecular interactionsElectronic supplementary information (ESI) available: χT vs. T plot for K+ salt 1b at magnetic fields of 1 and 10 kOe. See http://www.rsc.org/suppdata/cc/b2/b201585b/","Chemical Communications","2002","","10","1054","","10.1039/b201585b","","","0.71073","MoKα","","0.0461","0.0357","","","0.0921","0.0955","","","","","","0.949","","","","has coordinates,has disorder","180256","2020-10-21","18:00:00",""
"7114213","12.1348","0.0009","32.0453","0.0018","14.5001","0.0011","90","","91.92","0.008","90","","5635.4","0.7","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C88 H128 Cu12 N6 Na2 O58 -","- C88 H72 Cu12 N6 Na2 O58 -","- C176 H144 Cu24 N12 Na4 O116 -","2","0.5","","Murugesu, Muralee; Anson, Christopher E.; Powell, Annie K.","Engineering of ferrimagnetic Cu12-cluster arrays through supramolecular interactionsElectronic supplementary information (ESI) available: χT vs. T plot for K+ salt 1b at magnetic fields of 1 and 10 kOe. See http://www.rsc.org/suppdata/cc/b2/b201585b/","Chemical Communications","2002","","10","1054","","10.1039/b201585b","","","0.71073","MoKα","","0.0829","0.0508","","","0.1235","0.1341","","","","","","0.872","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114328","11.337","0.006","22.608","0.011","11.892","0.006","90","","90.706","0.009","90","","3048","3","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C44 H83 Cl F12 N8 Ni4 O16 P2 -","- C44 H75 Cl F12 N8 Ni4 O16 P2 -","- C88 H150 Cl2 F24 N16 Ni8 O32 P4 -","2","0.5","","Adams, Harry; Clunas, Scott; Fenton, David E.","A tetranuclear nickel(ii) complex assembled from an asymmetric compartmental ligand and bearing an intramolecular [H3O2]– bridge","Chemical Communications","2002","","5","418","","10.1039/b109019b","","","0.71073","MoKα","","0.1799","0.0787","","","0.1794","0.2138","","","","","","0.94","","","","has coordinates,has disorder","180257","2020-10-21","18:00:00",""
"7114823","9.3626","0.0005","30.748","0.002","14.5245","0.0008","90","","99.793","0.001","90","","4120.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Ni(II) 5,10,15,20-tetra-(3,5-di-tert-butylphenyl)ruthenocenoporphyrin","","","- C98 H126 N4 Ni O2 Ru -","- C98 H126 N4 Ni O2 Ru -","- C196 H252 N8 Ni2 O4 Ru2 -","2","0.5","","Wang, Hong J. H.; Jaquinod, Laurent; Nurco, Daniel J.; Vicente, M. Graça H.; Smith, Kevin M.","β,β′-Fused metallocenoporphyrinsElectronic supplementary information (ESI) available: molecular structure of 10. See http://www.rsc.org/suppdata/cc/b1/b107732e/","Chemical Communications","2001","","24","2646","","10.1039/b107732e","","","0.71073","MoKα","","0.1086","0.0773","","","0.1775","0.1929","","","","","","1.094","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00",""
"7114828","12.578","0.002","13.093","0.004","13.006","0.003","90","","94.58","0.02","90","","2135","0.9","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H15 Cd1.5 Cl5 N4 O6 S -","- C8 H15 Cd1.5 Cl5 N4 O6.01 S -","- C32 H60 Cd6 Cl20 N16 O24.04 S4 -","4","1","","Choudhury, Amitava; Krishnamoorthy, Jayaraman; Rao, C. N. R.","An approach to the synthesis of organically templated open-framework metal sulfates by the amine‒sulfate route","Chemical Communications","2001","","24","2610","","10.1039/b107820h","","","0.71073","MoKα","","0.0582","0.0376","","0.0946","0.0864","","","","1.053","1.111","1.111","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115200","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","","Clegg, William; Liddle, Stephen T.; Drummond, Allison M.; Mulvey, Robert E.; Robertson, Alan","A novel heterometallic alkoxide: lithium‒potassium tert-butoxide [(ButO)8Li4K4]","Chemical Communications","1999","","16","1569","","10.1039/a904800f","","","0.71073","MoKα","","0.0441","0.0324","","","0.0853","0.088","","","","","","1.035","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115526","9.638","0.006","7.105","0.005","11.862","0.008","90","","95.858","0.011","90","","808","0.9","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H13 N O2 -","- C23 H13 N O2 -","- C46 H26 N2 O4 -","2","0.5","","Shivani Mahajan; Sadhika Khullar; Sanjay K. Mandal; Inder Pal Singh","A one-pot, three-component reaction for the synthesis of novel 7-arylbenzo[c]acridine-5,6-diones","Chem.Commun.","2014","50","","10078","","10.1039/C4cc03079F","","","0.71073","MoKα","","0.1184","0.061","","","0.1451","0.1835","","","","","","0.959","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7116047","10.122","0.0005","6.909","0.0003","10.959","0.0005","90","0.005","103.632","0.002","90","0.005","744.8","0.06","230","2","230","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H13 Cl2 N3 Pd -","- C15 H13 Cl2 N3 Pd -","- C30 H26 Cl4 N6 Pd2 -","2","0.5","","Arturo Juzgado; M. Mercedes Lorenzo-Garcia; Myriam Barrejon; Ana M. Rodriguez; Julian Rodriguez-Lopez; Sonia Merino; Juan Tejeda","Chelation assistance as a tool for the selective preparation of an imidazole-based mesoionic palladium carbene complex","Chem.Commun.","2014","50","","15313","","10.1039/C4cc07732F","","","0.71073","MoKα","","0.0291","0.0224","","","0.0609","0.0648","","","","","","0.913","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116784","12.097","0.003","6.8619","0.0013","21.461","0.003","90","","91.882","0.017","90","","1780.5","0.6","100.2","0.7","100.2","0.7","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","3.PF6","","- C14 H15 F6 N4 O P Pd -","- C14 H15 F6 N4 O P Pd -","- C56 H60 F24 N16 O4 P4 Pd4 -","4","1","","Michael R. Chapman; Christopher M. Pask; Alireza Ariafard; Charlotte E. Willans","sigma-Alkenyl endo-palladacycle formation via regiospecific functionalisation of an unreactive NHC-tethered C(sp2)-H bond","Chem.Commun.","2015","51","","5513","","10.1039/C4cc10163D","","","1.54184","CuKα","","0.1697","0.1449","","","0.3606","0.3755","","","","","","1.073","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116950","12.338","0.003","33.33","0.007","25.857","0.005","90","","97.45","0.03","90","","10543","4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C77 H69 Cl5.25 Mn5.5 N13 O16.5 -","- C77 H69 Cl5.25 Mn5.5 N13 O16.5 -","- C308 H276 Cl21 Mn22 N52 O66 -","4","1","","Bloch, Witold M.; Burgun, Alexandre; Doonan, Christian J.; Sumby, Christopher J.","Probing post-synthetic metallation in metal-organic frameworks: insights from X-ray crystallography.","Chemical communications (Cambridge, England)","2015","51","25","5486","5489","10.1039/c4cc09639h","","","0.71073","Synchrotron","","0.1379","0.1187","","","0.3126","0.3259","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116951","12.355","0.003","33.452","0.007","12.952","0.003","90","","97.63","0.03","90","","5306","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C37.5 H33 Cl Mn2 N6 O7.5 -","- C37.5 H33 Cl Mn2 N6 O7.5 -","- C150 H132 Cl4 Mn8 N24 O30 -","4","1","","Bloch, Witold M.; Burgun, Alexandre; Doonan, Christian J.; Sumby, Christopher J.","Probing post-synthetic metallation in metal-organic frameworks: insights from X-ray crystallography.","Chemical communications (Cambridge, England)","2015","51","25","5486","5489","10.1039/c4cc09639h","","","0.71073","Synchrotron","","0.1099","0.089","","","0.2462","0.2636","","","","","","1.029","","","","has coordinates,has disorder","192775","2020-10-21","18:00:00",""
"7117213","7.537","0.0018","12.525","0.003","9.7","0.002","90","","98.51","0.004","90","","905.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","JU103","","- Al4 H3 Na3 O19 P4 -","- Al4 H3 Na3 O19 P4 -","- Al8 H6 Na6 O38 P8 -","2","0.5","","Yanjun Sun; Yan Yan; Yanyan Wang; Yi Li; Jiyang Li; Jihong Yu","High proton conduction in a new alkali metal-templated open-framework aluminophosphate","Chem.Commun.","2015","51","","9317","","10.1039/C5cc03116H","","","0.71073","MoKα","","0.1212","0.1169","","","0.3265","0.3291","","","","","","1.119","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117405","10.469","0.002","4.6557","0.0009","11.214","0.002","90","","101.251","0.003","90","","536.07","0.17","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Methylammonium Lead Triiodide Hydrate","","- C H8 I3 N O Pb -","- C H8 I3 N O Pb -","- C2 H16 I6 N2 O2 Pb2 -","2","0.5","","Gregory H. Imler; Xia Li; Bolei Xu; Graham E. Dobereiner; Hai-Lung Dai; Yi Rao; Bradford B. Wayland","Solid state transformation of the crystalline monohydrate (CH3NH3)PbI3(H2O) to the (CH3NH3)PbI3 perovskite","Chem.Commun.","2015","51","","11290","","10.1039/C5cc03741G","","","0.71073","MoKα","","0.0211","0.0207","","","0.0569","0.0572","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117552","7.169","0.002","6.8769","0.0019","7.474","0.002","90","","105.675","0.003","90","","354.77","0.17","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H8 B F3 N2 -","- C5 H8 B F3 N2 -","- C10 H16 B2 F6 N4 -","2","0.5","","Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P","[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","62","12439","12442","10.1039/c5cc04545b","","","0.71073","MoKα","","0.0443","0.0345","","","0.0864","0.092","","","","","","1.056","","","","has coordinates","209685","2020-10-21","18:00:00",""
"7117930","11.5823","0.0002","17.9907","0.0005","14.1292","0.0003","90","","111.687","0.002","90","","2735.76","0.11","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H78 K N5 O8 Si6 U -","- C32 H78 K N5 O8 Si6 U -","- C64 H156 K2 N10 O16 Si12 U2 -","2","0.5","","Clement Camp; Lucile Chatelain; Christos E. Kefalidis; Jacques Pecaut; Laurent Maron; Marinella Mazzanti","CO2 conversion to isocyanate via multiple N-Si bond cleavage at a bulky uranium(III) complex","Chem.Commun.","2015","51","","15454","","10.1039/C5cc06707C","","","0.71073","MoKα","","0.0493","0.0353","","","0.0673","0.0718","","","","","","1.091","","","","has coordinates,has disorder","165896","2020-10-21","18:00:00",""
"7118604","7.4495","0.0018","13.489","0.003","8.484","0.002","90","","112.353","0.004","90","","788.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H23 Fe N O -","- C17 H23 Fe N O -","- C34 H46 Fe2 N2 O2 -","2","0.5","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0427","0.039","","","0.0923","0.0939","","","","","","1.128","","","","has coordinates,has disorder","177652","2020-10-21","18:00:00",""
"7118621","6.5855","0.0004","12.5308","0.0006","12.4698","0.0007","90","","91.568","0.002","90","","1028.64","0.1","153","","153","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H20 F3 N4 O3 P S3 -","- C15 H20 F3 N4 O3 P S3 -","- C30 H40 F6 N8 O6 P2 S6 -","2","0.5","","Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.","Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.","Chemical communications (Cambridge, England)","2016","52","10","2023","2026","10.1039/c5cc08182c","","","0.71073","MoKα","","0.0406","0.0369","","","0.1027","0.1055","","","","","","1.061","","","","has coordinates","175119","2020-10-21","18:00:00",""
"7118666","16.682","0.003","21.662","0.004","27.674","0.005","90","","96.49","0.03","90","","9936","3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220 Cu18 N30 O42 S20 W5 -","- C111 H96 Cu18 N30 O42 S20 W5 -","- C222 H192 Cu36 N60 O84 S40 W10 -","2","0.5","","Zhang, Jinfang; Jia, Ding; Humphrey, Mark G.; Meng, Suci; Zaworotko, Michael J.; Cifuentes, Marie P.; Zhang, Chi","Ammonium-crown ether supramolecular cation-templated assembly of an unprecedented heterobicluster-metal coordination polymer with enhanced NLO properties.","Chemical communications (Cambridge, England)","2016","52","19","3797","3800","10.1039/c5cc10076c","","","0.71073","MoKα","","0.0795","0.069","","","0.151","0.1586","","","","","","0.998","","","","has coordinates","177699","2020-10-21","18:00:00",""
"7119568","6.2849","0.0004","8.8158","0.0005","6.6483","0.0004","90","","96.781","0.003","90","","365.78","0.04","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tert-Butyl(Imino)(methyl)-λ6-sulfanone","","- C5 H13 N O S -","- C5 H13 N O S -","- C10 H26 N2 O2 S2 -","2","0.5","","Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent","Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates.","Chemical communications (Cambridge, England)","2017","53","12","2064","2067","10.1039/c6cc09940h","","","0.71073","MoKα","","0.032","0.0303","","","0.0861","0.0874","","","","","","1.14","","","","has coordinates","193724","2020-10-21","18:00:00",""
"7119629","4.7566","0.0002","8.3266","0.0003","10.6298","0.0007","90","","101.601","0.004","90","","412.41","0.04","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","aluminium oxonitridoimidophosphate","","","- Al H2 N11 O P6 -","- Al H2 N11 O P6 -","- Al2 H4 N22 O2 P12 -","2","0.5","","Neudert, Lukas; Heinke, Frank; Bräuniger, Thomas; Pucher, Florian J.; Vaughan, Gavin B.; Oeckler, Oliver; Schnick, Wolfgang","An unusual nitride network of aluminum-centered octahedra and phosphorus-centered tetrahedra and structure determination from microcrystalline samples.","Chemical communications (Cambridge, England)","2017","53","18","2709","2712","10.1039/c7cc00233e","","","0.3351","synchrotron","","0.0351","0.0285","","","0.0702","0.0735","","","","","","1.046","","","","has coordinates","193707","2020-10-21","18:00:00",""
"7119969","13.6249","0.0007","17.6508","0.0008","15.8725","0.0008","90","","91.388","0.002","90","","3816.1","0.3","101","2","101","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C40 H38 B2 F15 P -","- C40 H38 B2 F15 P -","- C160 H152 B8 F60 P4 -","4","1","","Kehr, Gerald; Wang, Long; Daniliuc, Constantin Gabriel; Erker, Gerhard; Zhang, Senwang; Hasegawa, Yasuharu","Cooperative Carbon Monoxide to Formyl Reduction at a Trifunctional PBB Frustrated Lewis Pair","Chem. Commun.","2017","","","","","10.1039/C7CC02214J","","","0.71073","MoKα","","0.0642","0.0456","","","0.0944","0.101","","","","","","1.066","","","","has coordinates","195436","2020-10-21","18:00:00",""
"7120071","10.8728","0.0017","8.4539","0.0011","13.6191","0.0018","90","","98.521","0.004","90","","1238","0.3","320","2","320","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","0.5","","Huang, Bo; Sun, Lin-Ying; Wang, Sha-Sha; Zhang, Jianyu; Ji, Chengmin; Luo, Junhua; Zhang, Wei-Xiong; Chen, Xiao-Ming","A near-room-temperature organic-inorganic hybrid molecular ferroelectric: [C6H5CH2CH2NH3]2[CdI4]","Chem. Commun.","2017","","","","","10.1039/C7CC02408H","","","0.71073","MoKα","","0.082","0.0704","","","0.1979","0.2099","","","","","","1.221","","","","has coordinates,has disorder","196204","2020-10-21","18:00:00",""
"7120256","5.6115","0.0015","6.0587","0.0012","10.068","0.002","90","","93.612","0.007","90","","341.62","0.13","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","TJU-1","[Cu4(OH)6][O3S(CH2)4SO3]","","- C2 H0 Cu2 O6 S -","- C2 Cu2 O6 S -","- C4 Cu4 O12 S2 -","2","0.5","","Yang, Huimin; Fei, Honghan","Exfoliation of a Two-Dimensional Cationic Inorganic Network as a New Paradigm for High-Capacity CrVI-Anion Capture","Chem. Commun.","2017","","","","","10.1039/C7CC04375A","","","0.71073","MoKα","","0.0317","0.0303","","","0.0891","0.0902","","","","","","1.096","","","","has coordinates,has disorder","197726","2020-10-21","18:00:00",""
"7120993","9.4002","0.0002","20.3414","0.0005","9.8392","0.0002","90","","104.762","0.0009","90","","1819.28","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H32 Ag F3 N2 O3 S -","- C42 H32 Ag F3 N2 O3 S -","- C84 H64 Ag2 F6 N4 O6 S2 -","2","0.5","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Approaching monocoordination at a silver(i) cation.","Chemical communications (Cambridge, England)","2018","54","5","483","486","10.1039/c7cc08418h","","","1.54178","CuKα","","0.033","0.0317","","","0.0847","0.0856","","","","","","1.07","","","","has coordinates,has disorder","228153","2020-10-21","18:00:00",""
"7121055","9.7938","0.0003","19.0133","0.0015","14.1848","0.0008","90","","103.517","0.004","90","","2568.2","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C38 H28 Br3 Cu2 N6 O -","- C38 H28 Br3 Cu2 N6 O -","- C76 H56 Br6 Cu4 N12 O2 -","2","0.5","","Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen","DNA interactions and <i>in vitro</i> anticancer evaluations of pyridine-benzimidazole-based Cu complexes.","MedChemComm","2018","9","2","337","343","10.1039/c7md00462a","","","1.54184","CuKα","","0.1282","0.0794","","","0.2185","0.2373","","","","","","0.981","","","","has coordinates","230132","2020-10-21","18:00:00",""
"7121140","6.3039","0.0006","14.2946","0.0013","6.564","0.0006","90","","110.207","0.002","90","","555.09","0.09","135","2","135","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","bis(aqua)tetrakis(μ-2cyano)copper(II) dibromoplatinate(IV)","","- C4 H4 Br2 Cu N4 O2 Pt -","- C4 H3 Br2 Cu N4 O2 Pt -","- C8 H6 Br4 Cu2 N8 O4 Pt2 -","2","0.5","","Sergeenko, Ania S.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Designing anisotropic cyanometallate coordination polymers with unidirectional thermal expansion (TE): 2D zero and 1D colossal positive TE.","Chemical communications (Cambridge, England)","2018","54","13","1599","1602","10.1039/c7cc09033a","","","0.71073","MoKα","","0.0265","0.0141","","","0.0309","0.0338","","","","","","1.074","","","","has coordinates","228383","2020-10-21","18:00:00",""
"7121365","10.7455","0.0009","10.8723","0.0009","13.5836","0.0012","90","","109.542","0.004","90","","1495.5","0.2","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H48 N2 O2 P2 Se2 -","- C28 H48 N2 O2 P2 Se2 -","- C56 H96 N4 O4 P4 Se4 -","2","0.5","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.1358","0.0924","","","0.2277","0.2428","","","","","","1.164","","","","has coordinates,has disorder","228314","2020-10-21","18:00:00",""
"7121462","14.0792","0.0003","21.2447","0.0005","14.5359","0.0003","90","0.002","105.081","0.002","90","0.002","4198.07","0.16","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","[{(py)UO(u-C6H4O2)U(py)}(LA)]","","- C96 H108 N10 O7 U2 -","- C78 H70 N10 O4 U2 -","- C156 H140 N20 O8 U4 -","2","0.5","","Cowie, Bradley E.; Nichol, Gary S.; Love, Jason B.; Arnold, Polly L.","Double uranium oxo cations derived from uranyl by borane or silane reduction.","Chemical communications (Cambridge, England)","2018","54","31","3839","3842","10.1039/c8cc00341f","","","0.71073","MoKα","","0.054","0.0403","","","0.0914","0.0969","","","","","","1.05","","","","has coordinates","228426","2020-10-21","18:00:00",""
"7121540","19.3992","0.0019","11.6179","0.0011","19.5185","0.0019","90","","96.728","0.002","90","","4368.7","0.7","100","0.5","100","0.5","","","","","","","","7","P 1 21/m 1","-P 2yb","11","matlv10","","","- C20 H54 Al Cl5 O19.5 Ti2 V4 -","- C20 H53.75 Al1.0001 Cl5.0002 O19.5 Ti2 V4 -","- C80 H215 Al4.0004 Cl20.0008 O78 Ti8 V16 -","4","1","","VanGelder, L. E.; Forrestel, P. L.; Brennessel, W. W.; Matson, E. M.","Site-selectivity in the halogenation of titanium-functionalized polyoxovanadate-alkoxide clusters.","Chemical communications (Cambridge, England)","2018","54","50","6839","6842","10.1039/c8cc01517a","","","0.71073","MoKα","","0.1021","0.0582","","","0.1417","0.167","","","","","","1.037","","","","has coordinates,has disorder","228304","2020-10-21","18:00:00",""
"7121837","6.8599","0.001","7.353","0.0012","8.4999","0.0011","90","","99.069","0.013","90","","423.38","0.11","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C H4 Cl3 K N2 O Zn -","- C H4 Cl3 K N2 O Zn -","- C2 H8 Cl6 K2 N4 O2 Zn2 -","2","0.5","","Casali, Lucia; Mazzei, Luca; Shemchuk, Oleksii; Honer, Kenneth; Grepioni, Fabrizia; Ciurli, Stefano; Braga, Dario; Baltrusaitis, Jonas","Smart urea ionic co-crystals with enhanced urease inhibition activity for improved nitrogen cycle management.","Chemical communications (Cambridge, England)","2018","54","55","7637","7640","10.1039/c8cc03777a","","x-ray","0.71073","MoKα","","0.0983","0.0589","","","0.0876","0.1006","","","","","","0.997","","","","has coordinates,has disorder","228054","2020-10-21","18:00:00",""
"7121888","7.7632","0.0003","7.428","0.0004","12.8269","0.0006","90","","98.7339","0.0015","90","","731.09","0.06","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H14 Br4 Cl2 N2 -","- C7 H14 Br4 Cl2 N2 -","- C14 H28 Br8 Cl4 N4 -","2","0.5","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.0333","0.0238","","","0.0546","0.0583","","","","","","1.04","","","","has coordinates","228115","2020-10-21","18:00:00",""
"7121889","5.8771","0.0003","16.4201","0.0009","11.9239","0.0006","90","","100.625","0.002","90","","1130.96","0.1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Br Cl3 N2 -","- C7 H12 Br Cl3 N2 -","- C28 H48 Br4 Cl12 N8 -","4","1","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.0602","0.0379","","","0.0562","0.0625","","","","","","1.118","","","","has coordinates,has disorder","228115","2020-10-21","18:00:00",""
"7123216","8.9913","0.0005","12.5989","0.0006","9.1253","0.0005","90","","104.664","0.002","90","","1000.05","0.09","273","2","273","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ba5Bi2Co2S10","","- Ba1.25 Bi0.5 Co0.5 S2.5 -","- Ba1.25 Bi0.5 Co0.5 S2.5 -","- Ba10 Bi4 Co4 S20 -","8","2","","Bu, Kejun; Zhang, Xian; Huang, Jian; Luo, Mengjia; Chong, Zheng; Wang, Ruiqi; Wang, Dong; He, Jianqiao; Zhao, Wei; Che, Xiangli; Huang, Fu Qiang","Crystal Structure Design and Multiband Physical Properties of Quaternary Sulfide Ba5Bi2Co2S10 for Optoelectronic Conversion","Chemical Communications","2019","","","","","10.1039/C9CC00794F","","","0.71073","MoKα","","0.0392","0.0284","","","0.0486","0.0512","","","","","","1.033","","","","has coordinates","214352","2020-10-21","18:00:00",""
"7124096","11.03561","0.00015","15.2027","0.0002","15.7225","0.0002","90","","93.7852","0.0012","90","","2632.03","0.06","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","KPtMe10CB[5]","","- C20 H24 Cl3 K N10 O5.73 Pt0.5 -","- C20 H24 Cl3 K N10 O5.728 Pt0.5 -","- C80 H96 Cl12 K4 N40 O22.912 Pt2 -","4","1","","Chen, Ruru; Cao, Minna; Wang, Jin-Yun; Li, Hongfang; Cao, Rong","Decamethylcucurbit[5]uril based Supramolecular Assemblies as Efficient Electrocatalysts for Oxygen Reduction Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05899K","","","1.54184","CuKα","","0.0421","0.0399","","","0.1179","0.1207","","","","","","1.094","","","","has coordinates,has disorder","217923","2020-10-21","18:00:00",""
"7124098","11.076","0.0001","15.1322","0.0002","15.9211","0.0002","90","","92.659","0.001","90","","2665.57","0.05","173","2","173.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","NaPtMe10CB[5]","","","- C40 H50 Cl6 N20 Na2 O13 Pt -","- C40 H50 Cl6 N20 Na2 O13 Pt -","- C80 H100 Cl12 N40 Na4 O26 Pt2 -","2","0.5","","Chen, Ruru; Cao, Minna; Wang, Jin-Yun; Li, Hongfang; Cao, Rong","Decamethylcucurbit[5]uril based Supramolecular Assemblies as Efficient Electrocatalysts for Oxygen Reduction Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05899K","","","1.54184","CuKα","","0.0487","0.0457","","","0.1335","0.1419","","","","","","1.085","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7124133","8.3037","0.0004","21.527","0.001","9.422","0.0004","90","","109.043","0.001","90","","1592.05","0.13","120","2","120","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.1","0.0691","","","0.1396","0.1477","","","","","","1.029","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124134","8.3674","0.0003","21.5772","0.0008","9.4332","0.0003","90","","109.423","0.001","90","","1606.19","0.1","200","2","200","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0486","0.0472","","","0.1111","0.112","","","","","","1.168","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124136","8.3338","0.0002","21.5667","0.0005","9.4299","0.0002","90","","109.248","0.001","90","","1600.12","0.06","160","2","160","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0516","0.0481","","","0.1201","0.1225","","","","","","1.108","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124137","8.3268","0.0003","21.5993","0.0012","9.4395","0.0009","90","","109.159","0.001","90","","1603.69","0.19","140","2","140","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0545","0.049","","","0.1135","0.1201","","","","","","1.188","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124138","8.3866","0.0003","21.5854","0.0008","9.4357","0.0003","90","","109.511","0.001","90","","1610.04","0.1","220","2","220","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0487","0.0473","","","0.1118","0.1128","","","","","","1.165","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124139","8.3498","0.0003","21.572","0.0008","9.4328","0.0003","90","","109.338","0.001","90","","1603.2","0.1","180","2","180","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0496","0.0485","","","0.1194","0.1202","","","","","","1.183","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124140","8.2872","0.0003","21.5164","0.0011","9.4099","0.0004","90","","109.039","0.001","90","","1586.1","0.12","100","2","100","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0777","0.0646","","","0.1412","0.1474","","","","","","1.181","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124141","8.4208","0.0004","21.5873","0.0009","9.4367","0.0004","90","","109.674","0.001","90","","1615.28","0.12","260","2","260","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0524","0.0509","","","0.132","0.1332","","","","","","1.146","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124143","8.4039","0.0004","21.5861","0.001","9.4367","0.0004","90","","109.586","0.001","90","","1612.84","0.13","240","2","240","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0494","0.0481","","","0.1193","0.1202","","","","","","1.156","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124144","8.4179","0.0003","21.5823","0.0008","9.4363","0.0003","90","","109.676","0.001","90","","1614.27","0.1","260","2","260","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","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0529","0.0511","","","0.1294","0.1307","","","","","","1.161","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124165","10.355","0.002","17.83","0.004","10.478","0.002","90","","113.42","0.03","90","","1775.2","0.7","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ge9 H51 N17 Zn2 -","- Ge9 H51 N17 Zn2 -","- Ge18 H102 N34 Zn4 -","2","0.5","","Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F","Zinc as a Versatile Connecting Atom for Zintl Cluster Oligomers","Chemical Communications","2019","","","","","10.1039/C9CC06388A","","","0.71073","MoKα","","0.0733","0.0612","","","0.1624","0.1751","","","","","","1.077","","","","has coordinates","218292","2020-10-21","18:00:00",""
"7124889","6.897","0.0005","15.6685","0.0009","9.6096","0.0006","90","","102.131","0.007","90","","1015.28","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 Co Dy N8 O5 -","- C16 H14 Co Dy N8 O5 -","- C32 H28 Co2 Dy2 N16 O10 -","2","0.5","","Chorazy, Szymon; Wang, Junhao; Ohkoshi, Shin-Ichi","Yellow to greenish-blue colour-tunable photoluminescence and 4f-centered slow magnetic relaxation in a cyanido-bridged Dy(III)(4-hydroxypyridine)-Co(III) layered material.","Chemical communications (Cambridge, England)","2016","52","71","10795","10798","10.1039/c6cc05337h","","x-ray","0.71075","MoKα","","0.0801","0.0624","","","0.1023","0.1119","","","","","","1.21","","","","has coordinates","234317","2020-10-21","18:00:00",""
"7125072","5.941","0.0005","7.4092","0.0006","8.8324","0.0008","90","","99.184","0.004","90","","383.8","0.06","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 N O P -","- C5 H12 N O P -","- C10 H24 N2 O2 P2 -","2","0.5","","Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten","Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions.","Chemical communications (Cambridge, England)","2016","52","78","11646","11648","10.1039/c6cc06620h","","x-ray","0.71073","MoKα","","0.0376","0.0303","","","0.0705","0.0735","","","","","","1.066","","","","has coordinates","234486","2020-10-21","18:00:00",""
"7125668","13.0085","0.0006","24.5621","0.001","16.7777","0.0007","90","","92.839","0.002","90","","5354.2","0.4","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C85.01 H62.56 Cl0.94 N6 O24.27 S0.27 -","- C85.007 H62.55 Cl0.942 N6 O24.268 S0.268 -","- C170.014 H125.1 Cl1.884 N12 O48.536 S0.536 -","2","0.5","","Wang, Weikun; Finnegan, Tyler J.; Lei, Zhiquan; Zhu, Xingrong; Moore, Curtis E.; Shi, Kejia; Badjić, Jovica D","Tuning the allosteric sequestration of anticancer drugs for developing cooperative nano-antidotes.","Chemical communications (Cambridge, England)","2020","56","8","1271","1274","10.1039/c9cc09373g","","x-ray","0.71073","MoKα","","0.1042","0.0879","","","0.2481","0.2844","","","","","","1.09","","","","has coordinates,has disorder","247578","2020-10-21","18:00:00",""
"7125840","8.0461","0.0004","25.3743","0.0011","9.3223","0.0005","90","","98.68","0.002","90","","1881.48","0.16","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C43 H49 Cl2 N O2 -","- C43 H49 Cl2 N O2 -","- C86 H98 Cl4 N2 O4 -","2","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0844","0.0653","","","0.1573","0.1683","","","","","","1.074","","","","has coordinates,has disorder","248823","2020-10-21","18:00:00",""
"7125844","8.755","0.0004","20.6545","0.0011","9.7582","0.0005","90","","106.074","0.002","90","","1695.59","0.15","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C45 H37 Cl2 N -","- C45 H37 Cl2 N -","- C90 H74 Cl4 N2 -","2","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0728","0.056","","","0.1345","0.1433","","","","","","1.048","","","","has coordinates,has disorder","248823","2020-10-21","18:00:00",""
"7126101","9.4458","0.0005","19.0455","0.001","10.9694","0.0006","90","","106.664","0.002","90","","1890.52","0.18","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H56 N3 Re -","- C43 H57 N3 Re -","- C86 H114 N6 Re2 -","2","0.5","","Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John","Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.","Chemical communications (Cambridge, England)","2020","56","26","3761","3764","10.1039/c9cc09475j","","","0.7288","synchrotron","","0.0524","0.0521","","","0.1383","0.1388","","","","","","1.453","","","","has coordinates,has disorder","250174","2020-10-21","18:00:00",""
"7126155","7.6529","0.0005","4.0559","0.0003","9.1405","0.0006","90","","113.758","0.002","90","","259.67","0.03","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","SrOCuBiSe2","","- Bi Cu O Se2 Sr -","- Bi Cu O Se2 Sr -","- Bi2 Cu2 O2 Se4 Sr2 -","2","0.5","","Luo, Mengjia; Bu, Kejun; Zhang, Xian; Huang, Jian; Wang, Ruiqi; Huang, Fuqiang","Intrinsically low thermal conductivity in a p-type semiconductor SrOCuBiSe<sub>2</sub> with a [SrO]-intercalated CuBiSe<sub>2</sub> structure.","Chemical communications (Cambridge, England)","2020","56","31","4356","4359","10.1039/d0cc00035c","","","0.71073","MoKα","","0.0448","0.0444","","","0.1086","0.1093","","","","","","1.161","","","","has coordinates","251572","2020-10-21","18:00:00",""
"7126216","10.8558","0.0003","19.5631","0.0005","14.1328","0.0005","90","","97.318","0.003","90","","2976.98","0.16","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C47 H50 Al F36 N5 O4 Si -","- C47 H50 Al F36 N5 O4 Si -","- C94 H100 Al2 F72 N10 O8 Si2 -","2","0.5","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0833","0.0671","","","0.179","0.1983","","","","","","1.021","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126343","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","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0741","0.0526","","","0.0841","0.0894","","","","","","1.145","","","","has coordinates,has disorder","252695","2020-10-21","18:00:00",""
"7126406","15.3922","0.0002","14.4465","0.0002","16.7191","0.0002","90","","115.716","0.001","90","","3349.5","0.08","170","2","170","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C63 H78 Au B2 F8 N5 Pd -","- C63 H78 Au B2 F8 N5 Pd -","- C126 H156 Au2 B4 F16 N10 Pd2 -","2","0.5","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","1.34139","GaKα","","0.0442","0.039","","","0.0901","0.0929","","","","","","1.059","","","","has coordinates,has disorder","253790","2020-10-21","18:00:00",""
"7126572","14.8762","0.001","14.6209","0.0012","14.9832","0.001","90","","90.35","0.002","90","","3258.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H74 F10 O4 P2 Pt -","- C72 H74 F10 O4 P2 Pt -","- C144 H148 F20 O8 P4 Pt2 -","2","0.5","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0647","0.0533","","","0.1184","0.1227","","","","","","1.247","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126748","9.9904","0.0003","10.3032","0.0002","11.832","0.0004","90","","114.588","0.004","90","","1107.47","0.06","120","0.1","120","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H22 Cl2 F6 I N4 P -","- C15 H22 Cl2 F6 I N4 P -","- C30 H44 Cl4 F12 I2 N8 P2 -","2","0.5","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","0.71073","MoKα","","0.0393","0.0312","","","0.0637","0.0702","","","","","","1.043","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126763","9.0241","0.001","12.0224","0.0013","12.0743","0.0013","90","","110.467","0.005","90","","1227.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H39 N O Zn2 -","- C25 H39 N O Zn2 -","- C50 H78 N2 O2 Zn4 -","2","0.5","","Li, Bin; Wölper, Christoph; Huse, Kevin; Schulz, Stephan","Intermediate snapshot on the insertion reaction of isocyanates into the Zn-Cp* bond of dizincocene Cp*<sub>2</sub>Zn<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","61","8643","8646","10.1039/d0cc03831h","","","0.71073","MoKα","","0.0374","0.0241","","","0.0611","0.0695","","","","","","1.082","","","","has coordinates","254923","2020-10-21","18:00:00",""
"7127235","15.1885","0.0005","21.4887","0.0006","19.099","0.0006","90","","104.999","0.003","90","","6021.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C64 H30 B0.5 F2 N6 Tb0.5 -","- C64 H30 B0.5 F2 N6 Tb0.5 -","- C256 H120 B2 F8 N24 Tb2 -","4","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0834","0.0649","","","0.1669","0.1749","","","","","","1.066","","","","has coordinates","260693","2021-01-07","04:54:53",""
"7127393","15.9678","0.0008","23.5105","0.0013","16.2976","0.0009","90","","104.33","0.0016","90","","5927.9","0.6","153","2","153","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cs4 H74 K8 Na5 Nb23 O115 V6 -","- Cs3 K6.5 Na Nb23 O91.5 V6 -","- Cs6 K13 Na2 Nb46 O183 V12 -","2","0.5","","Zhen, Ni; Dong, Jing; Lin, Zhengguo; Li, Xiaoxia; Chi, Yingnan; Hu, Changwen","Self-assembly of polyoxovanadate-capped polyoxoniobates and their catalytic decontamination of sulfur mustard simulants.","Chemical communications (Cambridge, England)","2020","56","90","13967","13970","10.1039/d0cc06277d","","","0.71073","MoKα","","0.071","0.0609","","","0.2062","0.2196","","","","","","1.03","","","","has coordinates,has disorder","260657","2021-01-07","04:46:05",""
"7127579","11.18","0.005","8.575","0.004","27.548","0.013","90","","100.185","0.01","90","","2599","2","383","2","383","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H42 Bi3 I15 N6 -","- C12 H42 Bi3 I15 N6 -","- C24 H84 Bi6 I30 N12 -","2","0.5","","Liu, Yu-Hua; Peng, Hang; Liao, Wei-Qiang","A lead-free bismuth iodide organic-inorganic ferroelectric semiconductor.","Chemical communications (Cambridge, England)","2021","57","5","647","650","10.1039/d0cc07443h","","","0.71073","MoKα","","0.0901","0.0725","","","0.1446","0.1557","","","","","","1.002","","","","has coordinates","261537","2021-02-04","22:33:31",""
"7127600","12.364","0.003","33.5","0.007","12.912","0.003","90","","97.29","0.03","90","","5305","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C90.88 H116.1 Cl0.6 Ir0.6 Mn3 N12 O20.02 -","- C76 H68 Cl0.6 Ir0.6 Mn3 N12 O12 -","- C152 H136 Cl1.2 Ir1.2 Mn6 N24 O24 -","2","0.5","","Perlata, Ricardo A.; Huxley, Michael T.; Shi, Zhaolin; Zhang, Yue-Biao; Sumby, Christopher J.; Doonan, Christian J.","A metal-organic framework supported iridium catalyst for the gas phase hydrogenation of ethylene.","Chemical communications (Cambridge, England)","2020","56","97","15313","15316","10.1039/d0cc06058e","","","0.71073","Synchrotron","","0.1004","0.0924","","","0.3047","0.3129","","","","","","1.359","","","","has coordinates,has disorder","259910","2020-12-16","01:49:20",""
"7127648","12.6799","0.0006","6.6733","0.0003","15.0742","0.0007","90","","109.16","0.002","90","","1204.87","0.1","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H19 Br Cl3 N O2 -","- C27 H19 Br Cl3 N O2 -","- C54 H38 Br2 Cl6 N2 O4 -","2","0.5","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","","0.71073","MoKα","","0.0512","0.0448","","","0.1172","0.1209","","","","","","1.119","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127650","8.5848","0.0003","6.8902","0.0003","15.8079","0.0006","90","","98.98","0.001","90","","923.59","0.06","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H16 Br N O S -","- C22 H16 Br N O S -","- C44 H32 Br2 N2 O2 S2 -","2","0.5","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0277","0.0243","","","0.0602","0.0618","","","","","","1.076","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7128273","11.556","0.0005","7.8413","0.0003","14.0984","0.0007","90","","109.338","0.005","90","","1205.44","0.1","123","","123","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H22 Cl3 N4 O4 Rh -","- C20 H22 Cl3 N4 O4 Rh -","- C40 H44 Cl6 N8 O8 Rh2 -","2","0.5","","Yatabe, Takeshi; Kamitakahara, Kazuki; Higashijima, Kaede; Ando, Tatsuya; Matsumoto, Takahiro; Yoon, Ki-Seok; Enomoto, Takao; Ogo, Seiji","Synthesis of acetic acid from CO<sub>2</sub>, CH<sub>3</sub>I and H<sub>2</sub> using a water-soluble electron storage catalyst.","Chemical communications (Cambridge, England)","2021","57","39","4772","4774","10.1039/d1cc01611c","","","0.71073","MoKα","","0.061","0.0501","","","0.1337","0.1405","","","","","","1.081","","","","has coordinates,has disorder","265876","2021-06-05","17:27:16",""
"7128436","6.1119","0.0002","14.5023","0.0005","6.945","0.0002","90","","90.477","0.004","90","","615.56","0.03","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl4 Mn N2 -","- C6 H16 Cl4 Mn N2 -","- C12 H32 Cl8 Mn2 N4 -","2","0.5","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","1.54184","CuKα","","0.0442","0.0417","","","0.1188","0.1232","","","","","","1.047","","","","has coordinates","268515","2021-09-06","09:04:39",""
"7128501","4.9825","0.0007","9.7519","0.0012","6.9741","0.001","90","","93.55","0.012","90","","338.21","0.08","99.97","0.17","99.97","0.17","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ga2 H2 O9 S Te -","- Ga2 H2 O9 S Te -","- Ga4 H4 O18 S2 Te2 -","2","0.5","","Li, Peng-Fei; Hu, Chun-Li; Gong, Ya-Ping; Kong, Fang; Mao, Jiang-Gao","Hg<sub>3</sub>(Te<sub>3</sub>O<sub>8</sub>)(SO<sub>4</sub>): a new sulfate tellurite with a novel structure and large birefringence explored from d<sup>10</sup> metal compounds.","Chemical communications (Cambridge, England)","2021","57","57","7039","7042","10.1039/d1cc02494a","","","0.71073","MoKα","","0.0448","0.0345","","","0.071","0.0782","","","","","","1.056","","","","has coordinates","268540","2021-09-06","09:11:11",""
"7128844","9.9638","0.0005","17.1476","0.0005","12.4864","0.0006","90","","110.84","0.004","90","","1993.8","0.16","100","2","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C48 H52 Fe N2 O Si -","- C48 H52 Fe N2 O Si -","- C96 H104 Fe2 N4 O2 Si2 -","2","0.5","","Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich","Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.","Chemical communications (Cambridge, England)","2021","57","74","9378","9381","10.1039/d1cc03947d","","","0.71073","MoKα","","0.0552","0.045","","","0.1113","0.1203","","","","","","1.092","","","","has coordinates","269645","2021-10-06","13:57:21",""
"7129163","10.7853","0.0014","11.6435","0.0017","14.0828","0.0018","90","","91.747","0.011","90","","1767.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H36 Al Cl12 N Si3 -","- C17 H36 Al1.005 Cl12 N Si3 -","- C34 H72 Al2.01 Cl24 N2 Si6 -","2","0.5","","Kunkel, Chantal; Bolte, Michael; Lerner, Hans-Wolfram; Albert, Philipp; Wagner, Matthias","Subvalent mixed SixGey oligomers: (Cl3Si)4Ge and Cl2(Me2EtN)SiGe(SiCl3)2","Chemical Communications","2021","","","","","10.1039/D1CC05604B","","","0.71073","MoKα","","0.1764","0.1015","","","0.2062","0.2401","","","","","","1.101","","","","has coordinates,has disorder","270166","2021-10-29","21:56:47",""
"7129328","10.8458","0.0011","17.2914","0.0017","11.5079","0.0011","90","","103.356","0.002","90","","2099.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C45 H61 N5 Zn -","- C45 H62 N5 Zn -","- C90 H124 N10 Zn2 -","2","0.5","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","0.71073","MoKα","","0.058","0.0383","","","0.0907","0.0996","","","","","","1.047","","","","has coordinates","270916","2021-11-29","23:01:13",""
"7129812","7.4884","0.0012","11.9978","0.0019","7.5106","0.0012","90","","101.799","0.002","90","","660.53","0.18","179","2","179","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 N3 O S2 Zn -","- C12 H9 N3 O S2 Zn -","- C24 H18 N6 O2 S4 Zn2 -","2","0.5","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0424","0.0317","","","0.0758","0.0824","","","","","","1.038","","","","has coordinates","273620","2022-03-10","23:02:20",""
"7130200","14.1038","0.0008","20.1701","0.0006","19.1599","0.001","90","","111.044","0.006","90","","5087","0.5","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C100 H132 Li N2 O17 Ta W2 -","- C100 H130 Li N2 O17 Ta W2 -","- C200 H260 Li2 N4 O34 Ta2 W4 -","2","0.5","","Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl","Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies","Chemical Communications","2022","","","","","10.1039/D2CC02236B","","x-ray","0.6889","synchrotron","","0.1099","0.0815","","","0.2002","0.2194","","","","","","1","","","","has coordinates,has disorder","275924","2022-06-08","21:58:26",""
"7130541","7.985","0.0016","6.685","0.0013","9.44","0.0019","90","","100.86","0.03","90","","494.88","0.18","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","0.5","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","","0.7108","Synchrotron","","0.0382","0.0372","","","0.1112","0.1126","","","","","","1.103","","","","has coordinates,has disorder","277282","2022-08-17","21:56:32",""
"7131064","14.4485","0.0003","22.5228","0.0004","18.5406","0.0004","90","","96.0323","0.0018","90","","6000.1","0.2","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu16O4(OH)4(OEt)8(piv)12(H2O)","","- C81 H180 Cu16 O41 -","- C81 H180 Cu16 O41 -","- C162 H360 Cu32 O82 -","2","0.5","","Barnes, Thomas J.; Payne, Jack; Pike, Sebastian D.","Synthesis of a nanoscale Cu(II)<sub>31</sub>-oxo-carboxylate cluster, and effect of Cu-oxo cluster size on visible-light absorption.","Chemical communications (Cambridge, England)","2022","59","1","59","62","10.1039/d2cc05478g","","","1.54184","CuKα","","0.0796","0.0652","","0.1797","0.1684","0.1797","","","","","","1.0068","","","","has coordinates,has disorder","281317","2023-03-04","17:39:25",""
"7131070","11.18","0.004","14.559","0.005","13.993","0.005","90","","93.347","0.009","90","","2273.8","1.4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Graham178b (Subhash)","","","- C44 H69 F Fe N2 O3 P2 -","- C44 H68 F Fe N2 O3 P2 -","- C88 H136 F2 Fe2 N4 O6 P4 -","2","0.5","","Garhwal, Subhash; Panda, Jatin; Fridman, Natalia; Karton, Amir; de Ruiter, Graham","Formation of distinct iron hydrides <i>via</i> mechanistic divergence in directed C-H Bond activation of aryl ketones, esters and amides.","Chemical communications (Cambridge, England)","2023","59","4","426","429","10.1039/d2cc04394g","","","0.71073","MoKα","","0.0957","0.0518","","","0.1239","0.1456","","","","","","1.03","","","","has coordinates,has disorder","281330","2023-03-04","17:43:36",""
"7131120","4.7369","0.0004","6.5201","0.0005","8.0744","0.0007","90","","90.914","0.008","90","","249.35","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C H6 I P -","- C H6 I P -","- C2 H12 I2 P2 -","2","0.5","","Zhang, Han-Yue; Xiong, Ren-Gen","Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application.","Chemical communications (Cambridge, England)","2023","59","7","920","923","10.1039/d2cc06408a","","","0.71073","MoKα","","0.0263","0.0238","","","0.0552","0.0559","","","","","","1","","","","has coordinates","283077","2023-05-05","00:22:10",""
"7131206","11.7831","0.0012","16.8231","0.0017","14.2431","0.0014","90","","94.16","0.002","90","","2815.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C48 H21.65 N O0.32 -","- C47.75 H21.645 N O0.3225 -","- C191 H86.58 N4 O1.29 -","4","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","C2-insertion into a fullerene orifice.","Chemical communications (Cambridge, England)","2023","59","12","1645","1648","10.1039/d2cc06531b","","","0.71073","MoKα","","0.0532","0.0426","","","0.1135","0.1223","","","","","","1.07","","","","has coordinates,has disorder","283132","2023-05-05","00:39:44",""
"7131465","7.1749","0.0003","6.6728","0.0003","7.4888","0.0003","90","","99.545","0.004","90","","353.58","0.03","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 Cl N O2 -","- C6 H6 Cl N O2 -","- C12 H12 Cl2 N2 O4 -","2","0.5","","Li, Jie; Zhang, Tie; Lun, Meng-Meng; Su, Chang-Yuan; Zhang, Zhi-Xu; Huang, Pei-Zhi; Zhang, Yi; Teri, Gele; Fu, Da-Wei","Nicotinic acid bromide: a simple organic salt optical-electrical ferroelastic with high <i>T</i><sub>c</sub>.","Chemical communications (Cambridge, England)","2023","59","31","4644","4647","10.1039/d3cc00776f","","x-ray","0.71073","MoKα","","0.0316","0.0288","","","0.0792","0.0809","","","","","","1.093","","","","has coordinates","283096","2023-05-05","00:26:54",""
"7131466","7.4792","0.0005","6.9912","0.0007","7.5202","0.0004","90","","100.036","0.006","90","","387.2","0.05","413","","413","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 Br N O2 -","- C6 H6 Br N O2 -","- C12 H12 Br2 N2 O4 -","2","0.5","","Li, Jie; Zhang, Tie; Lun, Meng-Meng; Su, Chang-Yuan; Zhang, Zhi-Xu; Huang, Pei-Zhi; Zhang, Yi; Teri, Gele; Fu, Da-Wei","Nicotinic acid bromide: a simple organic salt optical-electrical ferroelastic with high <i>T</i><sub>c</sub>.","Chemical communications (Cambridge, England)","2023","59","31","4644","4647","10.1039/d3cc00776f","","","0.71073","MoKα","","0.0538","0.0375","","","0.0996","0.1045","","","","","","0.993","","","","has coordinates,has disorder","283096","2023-05-05","00:26:54",""
"7131504","14.2272","0.0017","13.2929","0.0016","17.217","0.002","90","","94.275","0.003","90","","3247","0.7","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C61.83 H65.65 Au Cl8.65 N8 P2 -","- C61.826 H65.652 Au Cl8.652 N8 P2 -","- C123.652 H131.304 Au2 Cl17.304 N16 P4 -","2","0.5","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0539","0.0378","","","0.077","0.0834","","","","","","1.026","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131521","9.029","0.0007","28.77","0.002","16.0887","0.0013","90","","89.983","0.002","90","","4179.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C95 H120 Al2 La3 N Si2 -","- C95 H120 Al2 La3 N Si2 -","- C190 H240 Al4 La6 N2 Si4 -","2","0.5","","Moinet, Eric C.; Tardif, Olivier; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Triisobutylaluminium-promoted formation of lanthanide hydrides.","Chemical communications (Cambridge, England)","2023","59","35","5261","5264","10.1039/d3cc01330h","","","0.71073","MoKα","","0.1027","0.0738","","","0.1838","0.2022","","","","","","1.035","","","","has coordinates,has disorder","283123","2023-05-05","00:35:44",""
"7131817","8.9025","0.0004","19.9339","0.0009","9.8991","0.0005","90","","116.469","0.0011","90","","1572.56","0.13","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C30 H42 F3 Ga N2 O3 S -","- C30 H42 F3 Ga N2 O3 S -","- C60 H84 F6 Ga2 N4 O6 S2 -","2","0.5","","Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.","Chemical communications (Cambridge, England)","2023","59","50","7755","7758","10.1039/d3cc01844j","","","0.71073","MoKα","","0.0332","0.0305","","","0.084","0.0858","","","","","","1.074","","","","has coordinates,has disorder","284768","2023-07-04","01:12:32",""
"7131941","6.1254","0.0009","14.52","0.002","6.9482","0.001","90","","90.437","0.005","90","","617.96","0.15","273","2","273.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl4 Mn N2 -","- C6 H16 Cl4 Mn N2 -","- C12 H32 Cl8 Mn2 N4 -","2","0.5","","Liu, Yu-Hang; Wu, Yi-Fan; Feng, Li-Juan; Zhao, Rui-Rui; Wang, Shan-Xiao; Zhang, Ming-Ming; Wang, Dan-Yang; Kong, Xiangwen; Lei, Xiao-Wu","Reversible Structural Transformations and Color-Tunable Emissions in Organic Manganese Halides","Chemical Communications","2023","","","","","10.1039/D3CC02093B","","","0.71073","MoKα","","0.0214","0.0189","","","0.045","0.046","","","","","","1.065","","","","has coordinates","285363","2023-07-27","21:56:08",""
"7132213","8.1541","0.0012","22.026","0.003","8.3513","0.0011","90","","114.634","0.004","90","","1363.4","0.3","300","2","300","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H32 B10 N4 Te2 -","- C18 H32 B10 N4 Te2 -","- C36 H64 B20 N8 Te4 -","2","0.5","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique; Lee, Sunhee; Han, Won-Sik; Jeon, Ie-Rang","Carborane-based heteromolecular extended networks driven by directional C–Te•••N chalcogen bonding interactions","Chemical Communications","2023","","","","","10.1039/D3CC04338J","","x-ray","0.71073","MoKα","","0.1617","0.0594","","","0.0929","0.1172","","","","","","0.978","","","","has coordinates","287002","2023-10-17","21:55:41",""
"7132610","9.2641","0.0011","18.7713","0.0017","12.8967","0.0012","90","","101.38","0.003","90","","2198.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C49 H41 F3 O4 P2 Pd S -","- C49 H42 F3 O4 P2 Pd S -","- C98 H84 F6 O8 P4 Pd2 S2 -","2","0.5","","Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying","Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","12","1638","1641","10.1039/d3cc05531k","","","0.71073","MoKα","","0.1392","0.0785","","","0.1853","0.212","","","","","","1.065","","","","has coordinates,has disorder","290103","2024-03-04","19:54:39",""
"7132693","10.2999","0.0005","14.4369","0.0008","17.7726","0.0009","90","","98.815","0.002","90","","2611.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C57 H46 Au Br Cl8 N2 -","- C57 H46 Au Br Cl8 N2 -","- C114 H92 Au2 Br2 Cl16 N4 -","2","0.5","","Bernt, Felix; Leonhardt, Christopher M.; Schatz, Dominic; Wegner, Hermann A.","Synthesis and investigation of a <i>meta</i>[6]cycloparaphenylene gold(I) <i>N</i>-heterocyclic carbene complex.","Chemical communications (Cambridge, England)","2024","60","22","3055","3058","10.1039/d3cc06225b","","","0.71073","MoKα","","0.0487","0.0471","","","0.115","0.1163","","","","","","1.095","","","","has coordinates,has disorder","291503","2024-05-05","00:42:59",""
"7132798","12.3181","0.0004","24.9472","0.0013","16.5061","0.0006","90","","108.592","0.004","90","","4807.6","0.4","150.01","0.1","150.01","0.1","","","","","","","","10","P 1 21/m 1","-P 2yb","11","Thesis - Compound A.2 - CO298","CO298","","- C23 H31 Au B Cl N6 O2 S Si W -","- C23 H31 Au B Cl N6 O2 S Si W -","- C138 H186 Au6 B6 Cl6 N36 O12 S6 Si6 W6 -","6","1.5","","Onn, Chee S.; Hill, Anthony F.","Carbon-chalcogen wires: alkynyltellurolatocarbynes.","Chemical communications (Cambridge, England)","2024","60","26","3555","3558","10.1039/d4cc00303a","","x-ray","1.54184","CuKα","","0.097","0.0772","","","0.1912","0.2006","","","","","","1.164","","","","has coordinates,has disorder","290818","2024-04-04","22:32:15",""
"7132945","12.7611","0.0003","18.5038","0.0003","14.1018","0.0003","90","","100.643","0.002","90","","3272.56","0.12","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C41.5 H21.5 Cl0.25 N5 O5.5 -","- C40.5 H19.5 N4.5 O3 -","- C162 H78 N18 O12 -","4","1","","Zhang, Fan; Du, Xu-Sheng; Song, Kui-Zhu; Han, Ying; Lu, Hai-Yan; Chen, Chuan-Feng","A calix[3]carbazole-based cavitand: synthesis, structure and its complexation with fullerenes.","Chemical communications (Cambridge, England)","2024","60","37","4962","4965","10.1039/d4cc00928b","","x-ray","1.54184","CuKα","","0.0602","0.0457","","","0.1254","0.1341","","","","","","1.06","","","","has coordinates","291506","2024-05-05","00:46:11",""
"7132986","16.4651","0.0005","23.3184","0.0007","17.2067","0.0005","90","","97.467","0.001","90","","6550.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C148 H188 F12 Fe2 N18 O28 S4 -","- C104 H78 F12 Fe2 N18 O17 S4 -","- C208 H156 F24 Fe4 N36 O34 S8 -","2","0.5","","Mobili, Riccardo; Preda, Giovanni; Dondi, Daniele; Monzani, Enrico; Vadivel, Dhanalakshmi; Massera, Chiara; Pasini, Dario; Amendola, Valeria","Triptycene-based diiron(II) mesocate: spin-crossover in solution","Chemical Communications","2024","","","","","10.1039/D4CC00812J","","","1.54178","CuKα","","0.0577","0.0538","","","0.1651","0.1707","","","","","","1.005","","","","has coordinates,has disorder","291407","2024-04-29","22:01:33",""
"7150458","9.8532","0.0007","6.9944","0.0005","14.504","0.001","90","","105.737","0.003","90","","962.11","0.12","233","2","233","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H23 B F4 O -","- C22 H23 B F4 O -","- C44 H46 B2 F8 O2 -","2","0.5","","Laus, Gerhard; Schottenberger, Herwig; Wurst, Klaus; Schütz, Johannes; Ongania, Karl-Hans; Horvath, Ulrike Erika Ida; Schwärzler, Alexander","Solvatochromism, halochromism, and preferential solvation of new dipolar guaiazulenyl 1,4-benzoquinone methidesElectronic supplementary information (ESI) available: Absorption maxima of the dyes 6‒10 in seven binary solvent mixtures. See http://www.rsc.org/suppdata/ob/b2/b209555f/","Organic & Biomolecular Chemistry","2003","1","8","1409","","10.1039/b209555f","","","0.71073","MoKα","","0.0595","0.0423","","","0.0995","0.107","","","","","","1.048","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150485","5.492","0.001","34.585","0.002","6.318","0.001","90","","102.81","0.01","90","","1170.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene sebacic acid","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0811","0.0561","","","0.1135","0.1293","","","","","","1.122","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150487","5.7015","0.0005","26.821","0.003","6.1015","0.0006","90","","104.708","0.008","90","","902.47","0.16","294","2","294","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene succinic acid","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C40 H40 N8 O8 -","2","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0453","0.0372","","","0.1011","0.1064","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150605","5.2259","0.0001","18.397","0.0005","7.1402","0.0002","90","","109.441","0.0015","90","","647.33","0.03","160","1","160","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 N2 S2 -","- C16 H12 N2 S2 -","- C32 H24 N4 S4 -","2","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0565","0.042","","","0.1019","0.1104","","","","","","1.054","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150754","11.0349","0.0004","20.653","0.0005","11.1727","0.0005","90","","110.111","0.002","90","","2391.05","0.15","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C45 H53.75 N3.75 O13.75 S5 -","- C30 H20 O10 S5 -","- C60 H40 O20 S10 -","2","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.0541","0.0457","","","0.1248","0.1296","","","","","","1.068","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7151611","10.2869","0.0016","6.7635","0.0011","11.4718","0.0018","90","","111.162","0.003","90","","744.3","0.2","289","2","289","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(E)-4-(11-azuleno(2,1-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[2,1-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C40 H28 O2 S2 -","2","0.5","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative.","Organic & biomolecular chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.0529","0.0413","","","0.11","0.1173","","","","","","1.027","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151722","6.8654","0.0013","34.567","0.006","7.138","0.0014","90","","98.565","0.004","90","","1675.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H22 F10 N5 O6 -","- C36 H22 F10 N5 O6 -","- C72 H44 F20 N10 O12 -","2","0.5","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.04","0.0334","","","0.0842","0.0889","","","","","","1.078","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151941","11.543","0.004","19.853","0.007","12.183","0.005","90","","97.935","0.004","90","","2765.2","1.8","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C56 H34 N6 O2 -","- C56 H34 N6 O2 -","- C112 H68 N12 O4 -","2","0.5","","Hu, Shu-Zhen; Chen, Chuan-Feng","Hg(2+) recognition by triptycene-derived heteracalixarenes: selectivity tuned by bridging heteroatoms and macrocyclic cavity.","Organic & biomolecular chemistry","2011","9","16","5838","5844","10.1039/c1ob05515a","","","0.71073","MoKα","","0.1157","0.0948","","","0.2137","0.2254","","","","","","1.117","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7152919","5.827","0.0009","9.2591","0.0014","8.8013","0.0013","90","","90.3","0.003","90","","474.85","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Cl F2 N O3 -","- C5 H12 Cl F2 N O3 -","- C10 H24 Cl2 F4 N2 O6 -","2","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.0436","0.0356","","","0.0748","0.0774","","","","","","0.98","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152993","12.2256","0.0008","6.8967","0.0004","12.7724","0.0008","90","","95.776","0.003","90","","1071.45","0.12","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H13 Cl3 F7 N3 O3 -","- C18 H13 Cl3 F7 N3 O3 -","- C36 H26 Cl6 F14 N6 O6 -","2","0.5","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0658","0.0478","","","0.1365","0.1491","","","","","","1.06","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7153075","11.098","0.0005","6.7887","0.0004","15.8764","0.001","90","","98.064","0.005","90","","1184.32","0.12","296","1","296","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H24 N2 O S2 -","- C24 H24 N2 O S2 -","- C48 H48 N4 O2 S4 -","2","0.5","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.0892","0.0552","","","0.1259","0.1458","","","","","","1.011","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153438","10.5501","0.0001","27.0192","0.0006","19.2592","0.0004","90","","92.785","0.001","90","","5483.45","0.17","120","2","120","2","","","","","","","Masafumi Yano","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H88 Cl N11 O -","- C55 H88 Cl N11 O -","- C220 H352 Cl4 N44 O4 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1274","0.0889","","","0.1581","0.1784","","","","","","1.077","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153441","10.5918","0.0008","27.1141","0.0018","19.2001","0.0011","90","","92.771","0.004","90","","5507.6","0.6","120","2","120","2","","","","","","","Masafumi Yano","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H88 Br N11 O -","- C55 H89 Br N11 O -","- C220 H356 Br4 N44 O4 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1983","0.1243","","","0.2127","0.2467","","","","","","1.109","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153608","9.124","0.0005","23.4937","0.0012","12.015","0.0007","90","","102.275","0.008","90","","2516.6","0.3","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H36 B2 F12 N4 -","- C50 H36 B2 F12 N4 -","- C100 H72 B4 F24 N8 -","2","0.5","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0828","0.0692","","","0.1878","0.1972","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153976","7.9952","0.0015","6.8431","0.0013","12.251","0.002","90","","93.085","0.004","90","","669.3","0.2","120","2","120.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,6-dimethyl-4-(Bpin)-pyridine","","","- C13 H20 B N O2 -","- C13 H20 B N O2 -","- C26 H40 B2 N2 O4 -","2","0.5","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.062","0.0546","","","0.1382","0.1432","","","","","","1.077","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7154182","9.702","0.0002","6.8943","0.0001","16.0179","0.0003","90","","91.201","0.001","90","","1071.18","0.03","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(4-Chlorophenyl)-5-[(2-hydroxy-4-methoxyphenyl)carbonyl]-2-methylfuran-3-carboxamide * dimethylsulfoxide","","- C22 H22 Cl N O6 S -","- C22 H23 Cl N O6 S -","- C44 H46 Cl2 N2 O12 S2 -","2","0.5","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0465","0.0382","","","0.1038","0.1126","","","","","","1.025","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7155755","5.095","0.001","6.1734","0.0013","6.2035","0.0014","90","","95.735","0.009","90","","194.14","0.07","150","","150","","","","","","","","synthesis as described","3","P 1 21/m 1","-P 2yb","11","","","","- C3 Br N -","- C3 Br N -","- C6 Br2 N2 -","2","0.5","","Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann","One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.","Organic & biomolecular chemistry","2017","","","","","10.1039/c6ob02590k","","x-ray","0.71073","MoKα","","0.03","0.0289","","","0.0711","0.0719","","","","","","1.217","","","","has coordinates","198578","2020-10-21","18:00:00",""
"7158761","8.805","0.003","6.864","0.002","10.545","0.004","90","","110.673","0.01","90","","596.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","0.5","","Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.","Redox activated amines in the organophotoinduced alkylation of coumarins.","Organic & biomolecular chemistry","2022","20","29","5716","5720","10.1039/d2ob00943a","","","0.71073","MoKα","","0.0802","0.0607","","","0.1836","0.2048","","","","","","1.093","","","","has coordinates","277136","2022-08-06","12:02:35",""
"7158961","11.691","0.004","9.567","0.004","12.612","0.005","90","","104.951","0.01","90","","1362.9","0.9","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H38 B F3 O3 Si -","- C23 H38 B F3 O3 Si -","- C46 H76 B2 F6 O6 Si2 -","2","0.5","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","0.71073","MoKα","","0.1495","0.0803","","","0.2282","0.2785","","","","","","1.029","","","","has coordinates,has disorder","278871","2022-10-29","10:57:29",""
"7159720","8.6562","0.0003","7.0369","0.0002","9.8957","0.0003","90","","97.796","0.001","90","","597.2","0.03","170","2","170","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H16 O Si -","- C13 H16 O Si -","- C26 H32 O2 Si2 -","2","0.5","","Zhang, Tao; Zhang, Cheng; Lu, Xiunan; Peng, Chengxing; Zhang, Yawei; Zhu, Xiong; Zhong, Guofu; Zhang, Jian","Synthesis of silyl indenes by ruthenium-catalyzed aldehyde- and acylsilane-enabled C-H alkylation/cyclization.","Organic & biomolecular chemistry","2024","22","3","466","471","10.1039/d3ob01699d","","","0.71073","MoKα","","0.0362","0.0338","","","0.0924","0.0947","","","","","","1.069","","","","has coordinates,has disorder","289635","2024-02-04","12:30:20",""
"7200154","5.805","0.005","26.19","0.02","12.117","0.01","90","","91.596","0.014","90","","1841","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H26 N4 O12 S Zn2 -","- C40 H24 N4 O12 S Zn2 -","- C80 H48 N8 O24 S2 Zn4 -","2","0.5","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.1009","0.0718","","","0.1718","0.1825","","","","","","1.005","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200229","9.571","0.004","6.751","0.002","11.093","0.004","90","","113.3","0.005","90","","658.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Eu N2 O12 -","- C7 H13 Eu N2 O12 -","- C14 H26 Eu2 N4 O24 -","2","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0424","0.0402","","","0.1052","0.1073","","","","","","1.089","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200230","9.69","0.0016","6.8211","0.0014","11.236","0.003","90","","113.333","0.008","90","","681.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Gd N2 O12 -","- C7 H13 Gd N2 O12 -","- C14 H26 Gd2 N4 O24 -","2","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0658","0.0592","","","0.1555","0.1653","","","","","","1.079","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200639","11.4446","0.0011","28.306","0.003","11.5206","0.001","90","","90.031","0.006","90","","3732.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(cyclohexylammonium)tetrachloroplumbate(ii)","bis(cyclohexylammonium)tetrachloroplumbate(II)","","- C24 H56 Cl8 N4 Pb2 -","- C24 H56 Cl8 N4 Pb2 -","- C96 H224 Cl32 N16 Pb8 -","4","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0377","0.032","","","0.0747","0.0767","","","","","","1.153","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200697","5.9733","0.0007","30.794","0.004","10.4696","0.0012","90","","96.178","0.002","90","","1914.6","0.4","180","2","180","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H20 Cl N5.5 -","- C20 Cl N5.5 -","- C80 Cl4 N22 -","4","1","","Wang, Ruiyao; Pellerin, Christian; Lebel, Olivier","Role of hydrogen bonding in the formation of glasses by small molecules: a triazine case study","Journal of Materials Chemistry","2009","19","18","2747","","10.1039/b820294j","","","0.71073","MoKα","","0.0998","0.0808","","","0.2254","0.2403","","","","","","1.1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200983","5.898","0.004","7.371","0.005","11.31","0.007","90","","96.064","0.002","90","","488.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Br Cu N2 S -","- C5 H14 Br Cu N2 S -","- C10 H28 Br2 Cu2 N4 S2 -","2","0.5","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0368","0.0295","","","0.0693","0.073","","","","","","1.006","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201240","7.3084","0.0015","10.576","0.002","8.5363","0.0017","90","","102.7","0.03","90","","643.7","0.2","150","0.2","150","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","N/A","","","- C11 H17 Cl2 N Ti -","- C11 H18 Cl2 N Ti -","- C22 H36 Cl4 N2 Ti2 -","2","0.5","","Fletcher, Andrew E.D.; Hyatt, Jonathan D.; Ok, Kang Min; O'Hare, Dermot","Catalytic dechlorination of polychlorinated biphenyls (PCBs) using amine functionalised titanocenes","Green Chemistry","2009","11","9","1343","","10.1039/b906311k","","","0.71073","MoKα","","0.0477","0.0393","","","0.0975","0.1042","","","","","","1.074","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201539","5.5357","0.0008","24.334","0.003","6.075","0.0008","90","","116.127","0.002","90","","734.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 Cd N2 O6 -","- C14 H8 Cd N2 O6 -","- C28 H16 Cd2 N4 O12 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1054","0.0933","","","0.2446","0.2537","","","","","","1.289","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201697","5.0358","0.0004","31.895","0.003","6.6096","0.0006","90","","105.033","0.004","90","","1025.28","0.16","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 N2 O9 S -","- C20 H16 N2 O9 S -","- C40 H32 N4 O18 S2 -","2","0.5","","Baruah, Jubaraj B.; Karmakar, Anirban; Barooah, Nilotpal","Solvent induced symmetry non-equivalence in the crystal lattice of 7-carboxymethyl-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenathrolin-2-yl) acetic acid","CrystEngComm","2008","10","2","151","","10.1039/b712967j","","","0.71073","MoKα","","0.1554","0.088","","","0.2664","0.321","","","","","","1.035","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201801","7.0996","0.0013","6.8561","0.0012","8.9728","0.0016","90","","94.854","0.003","90","","435.19","0.13","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C H3 B Cl5 N Si -","- C H3 B Cl5 N Si -","- C2 H6 B2 Cl10 N2 Si2 -","2","0.5","","Weinmann, Markus; Kroschel, Matthias; Jäschke, Thomas; Nuss, Jürgen; Jansen, Martin; Kolios, Grigorios; Morillo, Aristides; Tellaeche, Carlos; Nieken, Ulrich","Towards continuous processes for the synthesis of precursors of amorphous Si/B/N/C ceramics","Journal of Materials Chemistry","2008","18","15","1810","","10.1039/b716144a","","","0.71073","MoKα","","0.0312","0.0273","","","0.0672","0.0697","","","","","","1.076","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7202226","7.17","0.0014","9.053","0.0018","10.385","0.002","90","","91.14","0.03","90","","674","0.2","211","2","211","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","KP24","","","- C15 H20 Hf -","- C15 H20 Hf -","- C30 H40 Hf2 -","2","0.5","","Black, Kate; Aspinall, Helen C.; Jones, Anthony C.; Przybylak, Katarzyna; Bacsa, John; Chalker, Paul R.; Taylor, Stephen; Zhao, Ce Zhou; Elliott, Simon D.; Zydor, Aleksandra; Heys, Peter N.","Deposition of ZrO2 and HfO2 thin films by liquid injection MOCVD and ALD using ansa-metallocene zirconium and hafnium precursors","Journal of Materials Chemistry","2008","18","38","4561","","10.1039/b807205a","","","0.71073","MoKα","","0.0305","0.0255","","","0.0594","0.0602","","","","","","0.998","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202386","3.852","0.0012","19.395","0.005","5.769","0.0018","90","","95.6","0.03","90","","428.9","0.2","200","2","200","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","5,5-Bis(2-methyltetrazolyl)methylamine","5,5-Bis(2-methyltetrazolyl)methylamine","","- C5 H9 N9 -","- C5 H9 N9 -","- C10 H18 N18 -","2","0.5","","Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.","Bistetrazolylamines—synthesis and characterization","Journal of Materials Chemistry","2008","18","43","5248","","10.1039/b811273h","","","0.71073","MoKα","","0.0714","0.057","","","0.1252","0.1353","","","","","","1.176","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202752","8.302","0.002","25.713","0.007","9.153","0.003","90","","102.842","0.005","90","","1905","0.9","294","2","294","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C31 H21 Ag B Cl9 F4 N4 O0 -","- C31 H21 Ag B Cl9 F4 N4 -","- C62 H42 Ag2 B2 Cl18 F8 N8 -","2","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.1659","0.0938","","","0.2454","0.2899","","","","","","1.05","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7203111","19.599","0.005","10.953","0.003","10.555","0.003","90","","101.11","0.02","90","","2223.4","1.1","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","(TP-EDOT)3Sb2F11(benzene)","","","- C36 H30 F11 O6 S9 Sb2 -","- C36 H22 F11 O6 S9 Sb2 -","- C72 H44 F22 O12 S18 Sb4 -","2","0.5","","Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi","Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT","Journal of Materials Chemistry","2006","16","6","550","","10.1039/b511512d","","","0.71073","MoKα","","0.1034","0.0681","","","0.1622","0.1749","","","","","","1.114","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203818","7.0447","0.0009","34.734","0.003","7.622","0.001","90","","105.98","0.003","90","","1793","0.4","296.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Cl2 Fe0.5 S7 -","- C13 H6 Cl2 Fe0.5 S7 -","- C52 H24 Cl8 Fe2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.042","","","","0.024","","","","","","1.544","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203819","7.063","0.001","34.578","0.007","7.607","0.002","90","","106.17","0.01","90","","1784.3","0.7","296.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Cl2 Ga0.5 S7 -","- C13 H6 Cl2 Ga0.5 S7 -","- C52 H24 Cl8 Ga2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.046","","","","0.027","","","","","","1.94","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203820","7.063","0.003","35.514","0.012","7.661","0.003","90","0.0011","105.673","0.001","90","0.0011","1850.2","1.2","298.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Br2 Fe0.5 S7 -","- C13 H6 Br2 Fe0.5 S7 -","- C52 H24 Br8 Fe2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.05","","","","0.042","","","","","","2.293","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203821","7.073","0.002","35.602","0.007","7.661","0.002","90","0.0008","106.062","0.001","90","0.0008","1853.8","0.8","298.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H6 Br2 Ga0.5 S7 -","- C13 H6 Br2 Ga0.5 S7 -","- C52 H24 Br8 Ga2 S28 -","4","1","","Hiraoka, Takashi; Kamada, Yohsuke; Matsumoto, Takuya; Fujiwara, Hideki; Sugimoto, Toyonari; Noguchi, Satoru; Ishida, Takekazu; Nakazumi, Hiroyuki; Katori, Hiroko Aruga","Metallic/semiconducting behaviors and an antiferromagnetic ordering of FeBr4‒d spins in (Benzo-TTFVS)2·MX4 (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2005","15","34","3479","","10.1039/b506725a","","","0.7107","MoKα","","","0.043","","","","0.035","","","","","","2.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204033","4.978","0.003","12","0.01","8.189","0.006","90","","91.97","0.03","90","","488.9","0.6","160","","293","","","","","","","","Aldrich, Lancaster","6","P 1 21/m 1","-P 2yb","11","","Aluminium fluoro ethylenediphosphonate hydrate","","- C2 H4 Al2 F2 O9 P2 -","- C2 H4 Al2 F2 O9 P2 -","- C4 H8 Al4 F4 O18 P4 -","2","0.5","","Harvey, Howard G.; Teat, Simon J.; Attfield, Martin P.","Al2[O3PC2H4PO3](H2O)2F2·H2O: a novel aluminium diphosphonate","Journal of Materials Chemistry","2000","10","12","2632","","10.1039/b006851i","","","0.6942","DaresburySynchrotronradiationsource","","","0.1043","","","","0.107","","","","","","1.0801","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7204082","13.049","0.0005","9.9316","0.0004","19.1286","0.0006","90","","91.065","0.002","90","","2478.59","0.16","173","0.2","173","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H30 B N3 -","- C30 H30 B N3 -","- C120 H120 B4 N12 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.1008","0.0872","","","0.1994","0.2064","","","","","","1.163","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204514","5.8086","0.0002","6.3238","0.0003","8.8391","0.0004","90","","92.435","0.002","90","","324.39","0.02","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C12 H14 N2 O6 -","2","0.5","","Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C.","Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2031","","10.1039/b207808b","","","0.7107","MoKα","","0.0375","0.0345","","0.0539","","0.0526","","","2.078","","","2.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204723","11.1453","0.0005","24.728","0.0012","13.097","0.0006","90","","102.415","0.001","90","","3525.1","0.3","116","2","116","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H41.25 N2 O5.25 -","- C42.75 H41.5 N2 O5.25 -","- C171 H166 N8 O21 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0911","0.0774","","","0.2096","0.2236","","","","","","0.916","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204724","5.521","0.0008","11.8274","0.0017","5.525","0.0008","90","","107.257","0.002","90","","344.54","0.09","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Lanthanum antimony oxide","","- La O9 Sb3 -","- La O9 Sb3 -","- La2 O18 Sb6 -","2","0.5","","Ok, Kang Min; Gittens, Alex; Zhang, Lei; Halasyamani, P. Shiv","Synthesis, structure and characterization of two new antimony oxides?LaSb3O9 and LaSb5O12: Formation of LaSb5O12 from the reaction of LaSb3O9 with Sb2O3Electronic supplementary information (ESI) available: Powder X-ray diffraction patterns (calculated and experimental). See http://www.rsc.org/suppdata/jm/b3/b307496j/","Journal of Materials Chemistry","2004","14","1","116","","10.1039/b307496j","","","0.71073","MoKα","","0.0484","0.0475","","","0.135","0.1357","","","","","","1.304","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204967","9.9182","0.0005","29.591","0.002","10.1562","0.0005","90","","109.443","0.002","90","","2810.8","0.3","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H27 Cl7 Mn S24 -","- C31 H30.5 Cl5.5 Mn0.5 S24 -","- C62 H61 Cl11 Mn S48 -","2","0.5","","Naito, Toshio; Inabe, Tamotsu; Takeda, Keiji; Awaga, Kunio; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Kakiuchi, Toru; Sawa, Hiroshi; Yamamoto, Takashi; Tajima, Hiroyuki","β″-(ET)3(MnCl4)(1,1,2-C2H3Cl3) (ET = bis(ethylenedithio)tetrathiafulvalene); a pressure-sensitive new molecular conductor with localized spins","Journal of Materials Chemistry","2001","11","9","2221","","10.1039/b102786g","","","0.7107","MoKα","","0.0781","0.0781","","0.0891","","0.0891","","","4.39","","","4.39","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205084","7.965","0.002","10.521","0.002","13.08","0.003","90","","93.68","0.02","90","","1093.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine ethanebis(thioamide) clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine ethanebis(thioamide) clathrate","","- C20 H26 N2 O5 S2 -","- C20 H26 N2 O5 S2 -","- C40 H52 N4 O10 S4 -","2","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0707","0.0423","","","0.1143","0.1213","","","","","","1.005","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205489","10.0998","0.0007","12.1043","0.0008","11.8472","0.0008","90","","98.582","0.001","90","","1432.12","0.17","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Bi2 O6 -","- C8 H4 Bi2 O6 -","- C48 H24 Bi12 O36 -","6","1.5","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0328","0.0256","","","0.0585","0.0619","","","","","","1.021","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205734","9.6267","0.0001","18.4669","0.0003","9.7167","0.0001","90","","113.689","0.001","90","","1581.84","0.04","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H39 N4 O13 Zn -","- C25 H23 N4 O13 Zn -","- C50 H46 N8 O26 Zn2 -","2","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.08","0.063","","","0.1824","0.1961","","","","","","1.098","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7206204","5.6857","0.0001","15.0893","0.0004","10.3687","0.0003","90","","92.8634","0.0008","90","","888.45","0.04","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0509","0.0299","","","0.0723","0.0765","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206412","8.2308","0.0003","18.9146","0.0006","11.7353","0.0004","90","","91.232","0.001","90","","1826.56","0.11","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H28 Cl2 Cu3 N16 O21 -","- C18 H24 Cl2 Cu3 N17 O21 -","- C36 H48 Cl4 Cu6 N34 O42 -","2","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0499","0.047","","","0.1375","0.1408","","","","","","1.06","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206569","7.362","0.0018","12.946","0.002","13.628","0.0013","90","","91.312","0.003","90","","1298.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N7 Ni O5 Zn -","- C15 H16 N7 Ni O5 Zn -","- C30 H32 N14 Ni2 O10 Zn2 -","2","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.0979","0.0597","","","0.1178","0.1251","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206718","7.8557","0.001","18.207","0.002","13.4719","0.0017","90","","103.544","0.002","90","","1873.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H11 Ag F3 N2 O5 S -","- C16 H11 Ag F3 N2 O5 S -","- C64 H44 Ag4 F12 N8 O20 S4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0533","0.0499","","","0.1528","0.1557","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206883","5.8107","0.0005","11.1323","0.001","8.4816","0.0007","90","","90.683","0.001","90","","548.61","0.08","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H12 F2 N2 O4 S2 -","- C4 H12 F2 N2 O4 S2 -","- C8 H24 F4 N4 O8 S4 -","2","0.5","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.0558","0.0443","","","0.1162","0.1247","","","","","","1.061","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206887","7.554","0.0009","6.4305","0.001","8.6265","0.0011","90","","107.468","0.014","90","","399.72","0.1","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","0.5","","Janikowski, Judith; Forsyth, Craig; MacFarlane, Douglas R.; Pringle, Jennifer M.","Novel ionic liquids and plastic crystals utilizing the cyanate anion","Journal of Materials Chemistry","2011","21","48","19219","","10.1039/c1jm14055h","","","0.71073","MoKα","","0.0644","0.0527","","","0.1453","0.1536","","","","","","1.163","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7207190","6.8976","0.0004","36.792","0.002","8.2696","0.0005","90","","106.286","0.003","90","","2014.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 Cu N4 O2 -","- C36 H62 Cl4 Cu N4 O2 -","- C72 H124 Cl8 Cu2 N8 O4 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","0.71073","MoKα","","0.0523","0.0353","","","0.0852","0.1287","","","","","","1.096","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207191","6.8484","0.0003","36.7066","0.0014","8.289","0.0003","90","","105.25","0.002","90","","2010.33","0.14","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 N4 O2 Zn -","- C36 H62 Cl4 N4 O2 Zn -","- C72 H124 Cl8 N8 O4 Zn2 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","1.54178","CuKα","","0.0286","0.0277","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207311","13.773","0.004","6.7999","0.0018","15.291","0.004","90","","96.715","0.003","90","","1422.3","0.7","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","7-(Methylsulfinyl)-14-phenylbenzo(5,6)tetraceno(1,12,11,10- jklmna)acridin-14-ium hexafluorophosphate(V), acetonitrile solvate","7-(Methylsulfinyl)-14-phenylbenzo[5,6]tetraceno[1,12,11,10-jklmna]acridin-14-ium hexafluorophosphate(V), acetonitrile solvate","","- C36 H23 F6 N2 O P S -","- C36 H23 F6 N2 O P S -","- C72 H46 F12 N4 O2 P2 S2 -","2","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.","Photoinduced charge shift and charge recombination through an alkynyl spacer for an expanded acridinium-based dyad.","Physical chemistry chemical physics : PCCP","2012","14","9","3194","3199","10.1039/c2cp23273a","","","0.6709","synchrotron","","0.0909","0.0755","","","0.2157","0.2342","","","","","","1.051","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207629","9.0731","0.0008","6.9348","0.0006","11.9935","0.0011","90","","95.716","0.001","90","","750.88","0.12","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H10 Br3 N O7 Pb -","- C9 H10 Br3 N O7 Pb -","- C18 H20 Br6 N2 O14 Pb2 -","2","0.5","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.028","0.0242","","","0.0586","0.0602","","","","","","1.079","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207651","6.3439","0.0013","14.097","0.003","7.3832","0.0015","90","","97.69","0.03","90","","654.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H6 Ag N3 S -","- C4 H6 Ag N3 S -","- C16 H24 Ag4 N12 S4 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0222","0.0212","","","0.0544","0.055","","","","","","1.116","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207730","6.5418","0.0002","8.2834","0.0003","10.337","0.0003","90","","101.233","0.002","90","","549.41","0.03","120","","120","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H12 I2 N2 -","- C8 H12 I2 N2 -","- C16 H24 I4 N4 -","2","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0268","0.0184","","","0.039","0.0433","","","","","","1.033","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207938","8.9084","0.0018","7.2253","0.0018","9.172","0.003","90","","95.55","0.03","90","","587.6","0.3","383","2","383","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H11 Cl N O4 -","- C9 H11 Cl N O4 -","- C18 H22 Cl2 N2 O8 -","2","0.5","","Zhang, Yi; Awaga, Kunio; Yoshikawa, Hirofumi; Xiong, Ren-Gen","Ferroelastic phase transition and dielectric anomalies in 2,4,6-trimethylanilinium perchlorate","Journal of Materials Chemistry","2012","22","19","9841","","10.1039/c2jm30581j","","","0.71073","MoKα","","0.0806","0.063","","","0.213","0.2401","","","","","","0.97","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207978","9.3568","0.0008","15.2796","0.0014","9.5459","0.0009","90","","116.517","0.001","90","","1221.19","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H24 Co N4 O5 -","- C26 H22 Co N4 O5 -","- C52 H44 Co2 N8 O10 -","2","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.036","0.0301","","","0.0785","0.0817","","","","","","1.082","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7208670","9.27","0.002","6.7304","0.0013","9.71","0.004","90","","107.6","0.04","90","","577.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0984","0.0643","","","0.1434","0.1599","","","","","","1.167","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208671","9.194","0.004","6.653","0.003","9.643","0.009","90","","107.72","0.07","90","","561.9","0.7","296","2","296","2","1700000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.1801","0.1125","","","0.2178","0.2507","","","","","","1.137","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208672","9.059","0.003","6.7868","0.0017","10.543","0.004","90","","108.28","0.03","90","","615.5","0.4","296","2","296","2","1000000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0277","0.0258","","","0.0609","0.0617","","","","","","1.178","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208673","9.04","0.003","6.759","0.0009","10.516","0.003","90","","108.45","0.03","90","","609.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0486","0.0447","","","0.1544","0.1566","","","","","","1.679","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208674","8.879","0.003","6.6161","0.0009","10.328","0.003","90","","108.81","0.03","90","","574.3","0.3","296","2","296","2","2400000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.059","0.055","","","0.0882","0.0884","","","","","","1.394","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208676","7.7096","0.0014","6.7687","0.0012","8.5459","0.0015","90","","105.241","0.004","90","","430.27","0.13","89","2","89","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","(3-Brpy)CuF2.2H2O","","","- C5 H8 Br Cu F2 N O2 -","- C5 H8 Br Cu F2 N O2 -","- C10 H16 Br2 Cu2 F4 N2 O4 -","2","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.0235","0.0224","","","0.0615","0.0648","","","","","","1.152","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208760","5.8767","0.0012","16.476","0.003","7.5012","0.0015","90","","94.47","0.03","90","","724.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 Ba O6 S -","- C3 H5 Ba O6 S -","- C12 H20 Ba4 O24 S4 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0312","0.03","","","0.0756","0.0764","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208929","10.6667","0.0008","28.785","0.002","14.6296","0.0011","90","","110.47","0.002","90","","4208.2","0.5","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C60 H128 Cl2 N25 O43 Pr -","- C60 H64 Cl2 N25 O19 Pr -","- C120 H128 Cl4 N50 O38 Pr2 -","2","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.1504","0.1109","","","0.3278","0.3602","","","","","","1.264","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7209116","7.9465","0.0014","8.1567","0.0014","7.9743","0.0014","90","","116.379","0.011","90","","463.05","0.15","435","2","435","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","0.5","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0613","0.0444","","","0.1358","0.1459","","","","","","1.123","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209219","11.4102","0.0009","7.9586","0.0006","14.2631","0.0011","90","","95.548","0.001","90","","1289.15","0.17","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H29 N6 Ni O13 P2 -","- C16 H15 N6 Ni O13 P2 -","- C32 H30 N12 Ni2 O26 P4 -","2","0.5","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0834","0.0792","","","0.2016","0.2042","","","","","","1.015","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209234","11.2874","0.0004","17.5352","0.0003","11.8917","0.0004","90","","106.723","0.001","90","","2254.14","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H40 O41 Tm4 -","- C30 H5 O41 Tm4 -","- C60 H10 O82 Tm8 -","2","0.5","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0438","0.0328","","","0.0847","0.0912","","","","","","1.081","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209406","9.286","","4.658","","10.429","","90","","92.28","","90","","450.741","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Eu2 Au2 Sn5","","- Au2 Eu2 Sn5 -","- Au2 Eu2 Sn5 -","- Au4 Eu4 Sn10 -","2","0.5","","Kussmann, D.; Mosel, B.D.; Rodewald, U.C.; Rosenhahn, C.; Kuennen, B.; Kotzyba, G.; Poettgen, R.","Structure and properties of the stannide Eu2 Au2 Sn5, and its relationship with the family of Ba Al4-related structures","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1999","54","","1155","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209519","9.739","0.005","16.484","0.005","12.95","0.005","90","0.005","102.36","0.005","90","0.005","2030.8","1.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C10 H10 Br2 Cl3 N3 O5 U -","- C10 H10 Br2 Cl3 N3 O5 U -","- C40 H40 Br8 Cl12 N12 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0838","0.0463","","","0.1076","0.1396","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209905","8.16","0.003","22.912","0.008","10.715","0.004","90","","102.583","0.005","90","","1955.2","1.2","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C5 H40 Mo6 N Na2 O42 P3 -","- C5 H8 Mo6 N Na2 O42 P3 -","- C10 H16 Mo12 N2 Na4 O84 P6 -","2","0.5","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.0689","0.0552","","","0.1485","0.1565","","","","","","1.006","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210038","13.5941","0.0012","14.3621","0.0012","14.2561","0.0012","90","","96.141","0.002","90","","2767.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Bpene","","","- C24 H25 N7 Ni2 O3 S -","- C21 H18.5 N6.5 Ni2 O2.99 S -","- C84 H74 N26 Ni8 O11.96 S4 -","4","1","","Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.","Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]","CrystEngComm","2013","15","23","4684","","10.1039/c3ce00017f","","","0.41328","","","0.1485","0.0448","","","0.0951","0.1064","","","","","","0.928","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210075","5.23783","0.00009","7.54922","0.00014","6.98292","0.00013","90","","96.7315","0.0017","90","","274.212","0.009","360","0.1","360","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C2 H12 I2 N6 -","2","0.5","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0259","0.0232","","","0.0563","0.0583","","","","","","1.089","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210333","9.0904","0.0005","26.7064","0.0002","17.9565","0.0008","90","","101.505","0.001","90","","4271.7","0.3","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","Cu_2_L1_4","","- C68 H32 Cu2 F20 O10 -","- C68 H32 Cu2 F20 O10 -","- C136 H64 Cu4 F40 O20 -","2","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.71074","MoKα","","0.0818","0.0759","","","0.2422","0.2472","","","","","","1.143","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210381","10.113","0.0011","24.003","0.003","10.318","0.0007","90","","97.813","0.008","90","","2481.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H34 N6 O15 Zn4 -","- C50 H24 N6 O15 Zn4 -","- C100 H48 N12 O30 Zn8 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0877","0.0526","","","0.1023","0.1193","","","","","","1.015","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210733","13.9401","0.0009","23.1952","0.0015","14.6689","0.001","90","","108.094","0.001","90","","4508.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H42 Mn2 N12 O63 P2 W18 -","- C46 H40 Mn2 N12 O63 P2 W18 -","- C92 H80 Mn4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0584","0.0335","","","0.0628","0.0701","","","","","","1.018","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210734","13.9922","0.0008","22.7043","0.0012","14.7236","0.0008","90","","108.519","0.001","90","","4435.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H44 Cu2 N12 O63 P2 W18 -","- C46 H44 Cu2 N12 O63 P2 W18 -","- C92 H88 Cu4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0375","0.0266","","","0.0564","0.0599","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211430","9.1507","0.0008","15.0173","0.0012","10.8775","0.0009","90","","102.155","0.003","90","","1461.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H27 Cu N5 O12 U -","- C23 H27 Cu N5 O12 U -","- C46 H54 Cu2 N10 O24 U2 -","2","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1162","","","","","","1.041","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211933","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","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.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0687","0.048","","","0.099","0.1076","","","","","","1.092","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211934","8.0829","0.0005","6.2852","0.0004","9.0979","0.0006","90","","97.551","0.004","90","","458.19","0.05","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","fumaric acid & 2-methylimidazole","fumaric acid & 2-methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1049","0.0689","","","0.1392","0.1575","","","","","","1.069","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212052","11.8837","0.001","16.5498","0.0015","17.1589","0.0014","90","","97.671","0.002","90","","3344.5","0.5","296","2","296","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C102 H134 Ag4 F24 N16 O P4 S -","- C102 H134 Ag4 F24 N16 O P4 S -","- C102 H134 Ag4 F24 N16 O P4 S -","1","0.25","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0915","0.0548","","","0.1685","0.1883","","","","","","0.958","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212551","7.385","0.003","7.782","0.005","12.82","0.08","90","","95.02","0.12","90","","734","5","296","2","296","2","1800000","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,4-diazabicyclo(2.2.2)octane dihydroiodide trimethanol cocrystal","1,4-diazabicyclo[2.2.2]octane dihydroiodide trimethanol cocrystal","","- C9 H26 I2 N2 O3 -","- C9 H26 I2 N2 O3 -","- C18 H52 I4 N4 O6 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure induced transformations of 1,4-diazabicyclo[2.2.2]octane (dabco) hydroiodide: diprotonation of dabco, its N-methylation and co-crystallization with methanol","CrystEngComm","2010","12","9","2528","","10.1039/c001379j","","","0.71073","MoKα","","0.1172","0.0617","","","0.1424","0.1682","","","","","","1.386","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212552","8.88","0.02","6.5844","0.0004","10.335","0.01","90","","108.69","0.19","90","","572.4","1.5","296","2","296","2","2400000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure induced transformations of 1,4-diazabicyclo[2.2.2]octane (dabco) hydroiodide: diprotonation of dabco, its N-methylation and co-crystallization with methanol","CrystEngComm","2010","12","9","2528","","10.1039/c001379j","","","0.71073","MoKα","","0.0413","0.0396","","","0.0841","0.0903","","","","","","1.086","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212648","7.4001","0.0004","19.4843","0.0009","10.4745","0.0005","90","","94.216","0.001","90","","1506.19","0.13","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H34 Ge3 Mn3 N8 O S9 -","- C8 H34 Ge3 Mn3 N8 O S9 -","- C16 H68 Ge6 Mn6 N16 O2 S18 -","2","0.5","","Wang, Zhenqing; Xu, Gongfeng; Bi, Yanfeng; Wang, Cheng","Preparation of one dimensional group 14 metal sulfides: different roles of metal‒amino complexes","CrystEngComm","2010","12","11","3703","","10.1039/c002873h","","","0.71073","MoKα","","0.035","0.0276","","","0.071","0.0738","","","","","","1.075","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7213823","8.761","0.002","16.018","0.004","16.129","0.004","90","","95.282","0.004","90","","2253.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0591","0.0418","","","0.0909","0.0986","","","","","","1.031","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213824","8.758","0.0007","16.0178","0.0014","16.1291","0.0014","90","","95.253","0.001","90","","2253.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N8 O3 S4 U -","- C14 H14 N8 O3 S4 U -","- C56 H56 N32 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0497","0.0345","","","0.0594","0.0631","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7214122","6.892","0.003","8.967","0.003","8.538","0.003","90","","112.7","0.004","90","","486.8","0.3","571","2","571","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","dia-2","dia-cyclopentadienyldibromodicarbonyl Re(III)","","- C7 H5 Br2 O2 Re -","- C7 H5 Br2 O2 Re -","- C14 H10 Br4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0507","0.0319","","","0.0718","0.0778","","","","","","1.015","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214123","6.34","0.0011","12.504","0.002","6.4937","0.0011","90","","109.161","0.002","90","","486.27","0.14","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lat-2","lat-cyclopentadienyldibromodicarbonyl Re(III)","","- C7 H5 Br2 O2 Re -","- C7 H5 Br2 O2 Re -","- C14 H10 Br4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0441","0.0391","","","0.1058","0.1087","","","","","","1.043","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214124","6.2456","0.0009","12.2155","0.0017","6.2656","0.0009","90","","106.932","0.001","90","","457.3","0.11","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lat-CpRe(CO)2Cl2","lat-cyclopentadienyldichlorodicarbonyl Re(III)","","- C7 H5 Cl2 O2 Re -","- C7 H5 Cl2 O2 Re -","- C14 H10 Cl4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0165","0.0163","","","0.0395","0.0396","","","","","","1.129","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214349","7.4198","0.0001","9.8609","0.0001","14.6526","0.0002","90","","90.3167","0.0005","90","","1072.05","0.02","150","","150","","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Fe N2 -","- C13 H12 Fe N2 -","- C52 H48 Fe4 N8 -","4","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.0656","0.0358","","0.1085","0.0792","0.1085","","","","","","1.0157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214543","4.8692","0.0008","47.735","0.008","6.2805","0.001","90","","91.129","0.004","90","","1459.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H16 Cu F10 N4 O7 S -","- C26 H14 Cu F10 N4 O7 S -","- C52 H28 Cu2 F20 N8 O14 S2 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1148","0.0949","","","0.22","0.2359","","","","","","1.261","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214793","6.4957","0.0002","23.028","0.001","8.5679","0.0003","90","","102.451","0.004","90","","1251.47","0.08","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(1,3-diphenyl-1,3-propanedionato)thiocyanatobis(morpholine)copper(II)","","- C24 H29 Cu N3 O4 S -","- C24 H29 Cu N3 O4 S -","- C48 H58 Cu2 N6 O8 S2 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0535","0.0328","","","0.0889","0.0918","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214884","3.7932","0.0002","16.7161","0.0006","8.8555","0.0003","90","","100.817","0.004","90","","551.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H7 Cl4 N2 O2 -","- C8 H7 Cl4 N2 O2 -","- C16 H14 Cl8 N4 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0703","","","","0.1931","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214897","4.1771","0.0003","19.2999","0.0016","6.0082","0.0005","90","","106.732","0.01","90","","463.86","0.07","160","","160","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0208","0.0182","","","0.0449","0.0457","","","","","","1.114","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214898","4.2028","0.0004","19.3569","0.0018","6.0247","0.0005","90","","106.761","0.01","90","","469.31","0.08","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0212","","","0.0506","0.0516","","","","","","1.069","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214899","4.2311","0.0005","19.421","0.002","6.0413","0.0006","90","","106.76","0.01","90","","475.34","0.09","240","","240","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0283","0.0244","","","0.0595","0.0614","","","","","","1.064","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7216649","15.184","0.006","17.929","0.007","16.115","0.006","90","","117.472","0.006","90","","3892","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H66 Mo12 N10 O60 P2 -","- C12 H12 Mo12 N10 O60 P2 -","- C24 H24 Mo24 N20 O120 P4 -","2","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1559","0.1098","","","0.3193","0.3417","","","","","","1.043","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216710","7.119","0.005","23.688","0.005","10.909","0.005","90","","103.36","0.005","90","","1789.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.032","0.0251","","","0.0575","0.0607","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216711","7.146","0.005","23.684","0.005","10.944","0.005","90","","103.455","0.005","90","","1801.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0334","0.0252","","","0.0585","0.0624","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216712","7.17","0.005","23.69","0.005","10.982","0.005","90","","103.569","0.005","90","","1813.3","1.6","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0345","0.0249","","","0.0569","0.0614","","","","","","1.039","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216713","7.202","0.005","23.718","0.005","11.025","0.005","90","","103.746","0.005","90","","1829.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0409","0.0278","","","0.0609","0.0666","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216714","7.235","0.005","23.768","0.005","11.072","0.005","90","","103.92","0.005","90","","1848","1.6","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0478","0.0305","","","0.065","0.0724","","","","","","1.022","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216718","7.096","0.005","23.843","0.005","10.917","0.005","90","","103.788","0.005","90","","1793.8","1.6","125","2","125","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0481","0.0359","","","0.0871","0.0911","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216719","7.102","0.005","23.707","0.005","10.91","0.005","90","","103.541","0.005","90","","1785.8","1.5","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0462","0.0352","","","0.0896","0.0931","","","","","","1.007","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216720","7.108","0.005","23.656","0.005","10.909","0.005","90","","103.439","0.005","90","","1784.1","1.5","135","2","135","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0414","0.0304","","","0.0757","0.079","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216864","3.7395","0.0012","22.568","0.007","6.767","0.002","90","","93.286","0.006","90","","570.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Ca F4 O8 -","- C8 H8 Ca F4 O8 -","- C16 H16 Ca2 F8 O16 -","2","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0302","0.0298","","","0.0791","0.0794","","","","","","1.067","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216976","8.073","0.002","26.577","0.005","8.445","0.002","90","","98.99","0.03","90","","1789.7","0.7","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2',5'-dimethoxy-4'-methyl)propane dication-biradical bis(hexachloroantimonate)","","- C21 H28 Cl12 O4 Sb2 -","- C21 H28 Cl12 O4 Sb2 -","- C42 H56 Cl24 O8 Sb4 -","2","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0742","0.0472","","0.1081","0.0928","","","","1.152","1.258","1.258","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7217038","7.8916","0.0007","7.1079","0.0007","9.4988","0.0011","90","","97.514","0.007","90","","528.24","0.09","299","2","299","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1,1,3,4,5,6,7-heptachloro-1H-isoindole","","","- C8 H2 Cl5 N -","- C8 H2 Cl5 N -","- C16 H4 Cl10 N2 -","2","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.0376","0.0322","","","0.0946","0.0984","","","","","","1.143","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217083","10.5513","0.0007","17.4551","0.0011","11.0376","0.0007","90","","118.459","0.001","90","","1787.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 N2 O7 P U -","- C14 H11 N2 O7 P U -","- C56 H44 N8 O28 P4 U4 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0514","0.0354","","","0.0966","0.1065","","","","","","1.056","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217419","7.3602","0.0006","4.1127","0.0003","8.5556","0.0007","90","","104.602","0.002","90","","250.62","0.03","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl O3 Rb U -","- Cl O3 Rb U -","- Cl2 O6 Rb2 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0357","0.0316","","","0.0685","0.0699","","","","","","1.181","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217420","7.7768","0.0004","4.1245","0.0002","8.7701","0.0005","90","","105.468","0.001","90","","271.12","0.02","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Cs O3 U -","- Cl Cs O3 U -","- Cl2 Cs2 O6 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0289","0.0256","","","0.0563","0.0575","","","","","","1.079","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7218873","9.1986","0.0013","6.8265","0.001","17.101","0.003","90","","105.222","0.016","90","","1036.2","0.3","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H24 N2 O S -","- C22 H24 N2 O S -","- C44 H48 N4 O2 S2 -","2","0.5","","Marco, A. Belén; Mayorga Burrezo, Paula; Mosteo, Laura; Franco, Santiago; Garin, Javier; Orduna, Jesús; Diosdado, Beatriz; Villacampa, Belén; López Navarrete, Juan T.; Casado, Juan; Andreu, Raquel","Polarization, second-order nonlinear optical properties and electrochromism in 4H-pyranylidene chromophores with a quinoid/aromatic thiophene ring bridge","RSC Adv.","2014","","","","","10.1039/C4RA12791A","","","0.71073","MoKα","","0.1895","0.1046","","","0.2063","0.2475","","","","","","1.042","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7219539","9.485","0.0006","9.6118","0.0006","17.0918","0.0011","90","","98.3","0.001","90","","1541.9","0.17","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H49 N2 O Tl -","- C32 H49 N2 O Tl -","- C64 H98 N4 O2 Tl2 -","2","0.5","","Egorova, Elena; Druzhkov, Nikolai; Shavyrin, Andrey; Cherkasov, Anton; Abakumov, Gleb Arsent'evich; Fedorov, Alexey","The 13 group metal complexes of sterically-hindered substituted iminophenol. Synthesis and structure.","RSC Adv.","2015","","","","","10.1039/C4RA15793A","","","0.71073","MoKα","","0.0187","0.0167","","","0.0393","0.0399","","","","","","1.084","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219543","10.337","0.002","11.655","0.002","13.504","0.003","90","","108.17","0.03","90","","1545.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H45.5 Cl2 N2 O14.5 -","- C21 H46 Cl2 N2 O14.5 -","- C42 H92 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1361","0.0916","","","0.2373","0.2601","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219544","10.432","0.013","11.734","0.014","13.639","0.016","90","","108.53","0.02","90","","1583","3","368","2","368","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Cl2 N2 O14.5 -","- C21 H45.5 Cl2 N2 O14.5 -","- C42 H91 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1254","0.0894","","","0.2177","0.2532","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219704","20.9882","0.0003","43.6525","0.0006","24.5435","0.0003","90","","111.671","0.001","90","","20897.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co28(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(SO4)Cl10(OH)4(CH3OH)4(H2O)6]","","","- C283 H348 Cl10 Co28 N48 O49 S41 -","- C276 H292 Cl10 Co28 N48 O42 S41 -","- C552 H584 Cl20 Co56 N96 O84 S82 -","2","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1156","0.0823","","","0.2396","0.26","","","","","","1.074","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7220736","20.446","","16.4661","","9.3532","","90","","94.0138","","90","","3141.18","","","","169","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","C2H4@DUT-8(Ni)","","","- C54 H72 N2 Ni2 O8 -","- C54 H72 N2 Ni2 O8 -","- C108 H144 N4 Ni4 O16 -","2","0.5","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221071","15.777","","4.1669","","17.358","","90","","99.249","","90","","1126.3","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K0.66 Sn4.82 Bi11.18 Se22","","- Bi11.18 K0.66 Se22 Sn4.82 -","- Bi11.18 K0.66 Se22 Sn4.82 -","- Bi11.18 K0.66 Se22 Sn4.82 -","1","0.25","","Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.","Structure and thermoelectric properties of the new quaternary tin selenide K1-x Sn5-x Bi11+x Se22","Journal of Materials Chemistry","2000","10","","1667","1672","","","","","","","","","","","","","","","","","","","","","","has coordinates","141087","2020-10-21","18:00:00",""
"7221074","6.6736","","5.3543","","11.9005","","90","","92.615","","90","","424.791","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K1.012 P2 W6 O22","","- K1.012 O22 P2 W6 -","- K1.012 O22 P2 W6 -","- K1.012 O22 P2 W6 -","1","0.25","","Roussel, P.; Drouard, S.; Groult, D.; Labbe, P.H.; Schlenker, C.; Dumas, J.","Crystal structure and electrical properties of K2 P4 W12 O44, the m=6 member of the series of low-dimensional conductors Kx (P O2)4 (W O3)2m","Journal of Materials Chemistry","1999","9","","973","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","141108","2020-10-21","18:00:00",""
"7221164","8.56","","4.72","","9.45","","90","","105.95","","90","","367.111","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Li7 Sn3 -","- Li7 Sn3 -","- Li14 Sn6 -","2","0.5","","Mueller, W.","Darstellung und Struktur der Phase Li7 Sn3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1974","29","","304","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221347","12.725","","13.568","","6.2","","90","","97.33","","90","","1061.7","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N (S Cl)2 Al Cl4","","- Al Cl6 N S2 -","- Al Cl6 N S2 -","- Al4 Cl24 N4 S8 -","4","1","","Glemser, O.; Kindler, E.; Krebs, B.; Schnepel, F.M.; Mews, R.; Wegener, J.","Ueber das Bis(chlorschwefel)stickstoff-Kation N (S Cl)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","657","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221358","7.988","","6.941","","5.8","","90","","106.34","","90","","308.59","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb Ge Cl3","","- Cl3 Ge Rb -","- Cl3 Ge Rb -","- Cl6 Ge2 Rb2 -","2","0.5","","Messer, D.","Die Kristallstruktur von Rb Ge Cl3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","366","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221524","6.331","","9.595","","6.472","","90","","103.15","","90","","382.839","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(C H3)3 (C F3) Si","","- C4 H9 F3 Si -","- C4 H9 F3 Si -","- C8 H18 F6 Si2 -","2","0.5","","Woski, M.; Mitzel, N.W.","Trifluoromethylated compounds with SiNN and SiON backbone, and the crystal structures of trimethyl- and trichloro(trifluoromethyl)silane","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2009","64","","83","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221775","9.319","0.002","19.982","0.004","18.209","0.004","90","","92.581","0.004","90","","3387.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C62 H44 Cl10 O6 P6 Pd2 -","- C62 H44 Cl10 O6 P6 Pd2 -","- C124 H88 Cl20 O12 P12 Pd4 -","2","0.5","","Sun, Yue; Yan, Meng-Qi; Liu, Yan; Lian, Ze-Yu; Meng, Tong; chen, Jian; Liu, Shenghua; Yu, Guang-Ao","Phenylphosphinacalix[3]trifuran: synthesis, coordination and application in the Suzuki-Miyaura cross-coupling reaction in water","RSC Adv.","2015","","","","","10.1039/C5RA11778J","","","0.71073","MoKα","","0.1176","0.103","","","0.2645","0.2747","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221789","7.399","0.003","18.503","0.006","12.632","0.005","90","","98.79","0.02","90","","1709.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 Ag N2 O5 S -","- C15 H12 Ag N2 O5 S -","- C60 H48 Ag4 N8 O20 S4 -","4","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.28","0.0931","","","0.208","0.286","","","","","","0.918","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221971","14.052","0.002","32.528","0.003","17.992","0.002","90","","103.462","0.002","90","","7997.9","1.6","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C42 H118 Bi2 Cu7 N28 Na4 O97 W18 -","- C42 H50.8 Bi2 Cu7 N28 Na3 O84.66 W18 -","- C84 H101.6 Bi4 Cu14 N56 Na6 O169.32 W36 -","2","0.5","","Chai, Dong-Feng; Ma, Zhuo; Yan, Hong; Qiu, Yunfeng; Liu, Hong; Guo, Huadong; Gao, Guang-Gang","Synergistic Effect of Sandwich Polyoxometalates and Copper-Imidazole Complexes for Enhancing Peroxidase-like Activity","RSC Adv.","2015","","","","","10.1039/C5RA13265G","","","0.71073","MoKα","","0.1305","0.0577","","","0.0888","0.099","","","","","","0.99","","","","has coordinates,has disorder","153869","2020-10-21","18:00:00",""
"7221972","14.051","0.0013","32.53","0.003","17.9902","0.0017","90","","103.461","0.001","90","","7997","1.3","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C42 H112 Cu7 N28 Na4 O94 Sb2 W18 -","- C42 H54 Cu7 N28 Na3 O87 Sb2 W18 -","- C84 H108 Cu14 N56 Na6 O174 Sb4 W36 -","2","0.5","","Chai, Dong-Feng; Ma, Zhuo; Yan, Hong; Qiu, Yunfeng; Liu, Hong; Guo, Huadong; Gao, Guang-Gang","Synergistic Effect of Sandwich Polyoxometalates and Copper-Imidazole Complexes for Enhancing Peroxidase-like Activity","RSC Adv.","2015","","","","","10.1039/C5RA13265G","","","0.71073","MoKα","","0.0963","0.0478","","","0.0753","0.0826","","","","","","0.998","","","","has coordinates,has disorder","153869","2020-10-21","18:00:00",""
"7222262","8.8813","0.0018","17.915","0.004","17.223","0.003","90","","96.942","0.004","90","","2720.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H29 Br N5 Ni O5 -","- C20 H20 Br N4 Ni O4 -","- C80 H80 Br4 N16 Ni4 O16 -","4","1","","Li, Xiu-Yuan; Liu, Xia-Xia; Yue, Kenfen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","Solvent-controlled formation of four Ni(II) coordination polymers based on flexible bis(imidazole) ligand: syntheses, structural diversification, properties","RSC Adv.","2015","","","","","10.1039/C5RA15397B","","","0.71073","MoKα","","0.1345","0.0781","","","0.2014","0.2274","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222357","7.7159","0.0007","16.2503","0.0012","10.3876","0.0008","90","","103.466","0.009","90","","1266.65","0.18","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H27 N7 O S2 V -","- C21 H27 N7 O S2 V -","- C42 H54 N14 O2 S4 V2 -","2","0.5","","Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata; Barszcz, Boleslaw","New oxovanadium(IV) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity.","RSC Adv.","2015","","","","","10.1039/C5RA12561H","","","0.71073","MoKα","","0.0783","0.0429","","","0.097","0.1086","","","","","","1.002","","","","has coordinates","159057","2020-10-21","18:00:00",""
"7222503","7.4587","","7.3163","","9.3715","","90","","108.429","","90","","485.177","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba2 Ge Se1.53 Te2.47 -","- Ba2 Ge Se1.53 Te2.47 -","- Ba4 Ge2 Se3.06 Te4.94 -","2","0.5","","Assoud, A.; Soheilnia, N.; Kleinke, H.","From yellow to black: new semiconducting Ba chalcogeno-germanates","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","975","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222504","7.3212","","7.1909","","9.2853","","90","","108.433","","90","","463.754","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ba2 (Ge Se2 Te2)","","- Ba2 Ge Se2 Te2 -","- Ba2 Ge Se2 Te2 -","- Ba4 Ge2 Se4 Te4 -","2","0.5","","Assoud, A.; Soheilnia, N.; Kleinke, H.","From yellow to black: new semiconducting Ba chalcogeno-germanates","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","975","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222505","6.9958","","7.0938","","9.1738","","90","","109.135","","90","","430.112","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ba2 (Ge Se4)","","- Ba2 Ge Se4 -","- Ba2 Ge Se4 -","- Ba4 Ge2 Se8 -","2","0.5","","Assoud, A.; Soheilnia, N.; Kleinke, H.","From yellow to black: new semiconducting Ba chalcogeno-germanates","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","975","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222744","11.68","","4.381","","12.571","","90","","100.528","","90","","632.43","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ba1.5 Sb3 -","- Ba1.5 Sb3 -","- Ba6 Sb12 -","4","1","","Emmerling, F.; Laengin, N.; Wendorff, M.; Pickhard, F.; Roehr, C.","Verbindungen mit Pentelid-Hanteln M2: AI11 M6 und AII11 M10 (A= Rb, Cs, Ba; M= Sb, Bi)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","7","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222769","5.4479","","4.399","","9.6126","","90","","99.64","","90","","227.116","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Ba (N3)2","","- Ba N6 -","- Ba N6 -","- Ba2 N12 -","2","0.5","","Reckeweg, O.; Simon, A.","Azide und Cyanamide - aehnlich und doch anders","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","1097","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222795","8.204","","3.8824","","11.328","","90","","100.82","","90","","354.396","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","La3 Cl3 B C","","- C B Cl3 La3 -","- C B Cl3 La3 -","- C2 B2 Cl6 La6 -","2","0.5","","Zeng, H.Y.; Zheng, C.; Okudera, H.; Mattausch, H.J.; Kremer, R.K.; Simon, A.","La3Cl3BC - Structure, Bonding and Electrical Conductivity","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223553","10.8302","0.0004","33.4895","0.0016","13.8319","0.0006","90","","99.191","0.004","90","","4952.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C84 H72 N8 O19 S24 -","- C84 H56 N8 O19 S24 -","- C168 H112 N16 O38 S48 -","2","0.5","","Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.","Physical chemistry chemical physics : PCCP","2016","18","4","2940","2948","10.1039/c5cp06141e","","","1.54184","CuKα","","0.1281","0.0837","","","0.1767","0.1966","","","","","","1.182","","","","has coordinates,has disorder","176202","2020-10-21","18:00:00",""
"7223824","11.537","","7.281","","7.527","","90","","99.41","","90","","623.767","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ba3 Si4 P6","","- Ba3 P6 Si4 -","- Ba3 P6 Si4 -","- Ba6 P12 Si8 -","2","0.5","","Eisenmann, B.; Jordan, H.; Schaefer, H.","Ba3 Si4 P6, eine neue Zintlphase mit vernetzten Si4 P5-Kaefigen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1984","39","","864","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","173838","2020-10-21","18:00:00",""
"7223900","7.195","0.003","27.428","0.009","10.889","0.004","90","","107.89","0.007","90","","2045","1.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H14 Hg N6 S2 -","- C22 H14 Hg N6 S2 -","- C88 H56 Hg4 N24 S8 -","4","1","","Zhang, Guoqi; Tan, Jiawen; Phoenix, Tonya; Manke, David; Golen, James A.; Rheingold, Arnold L.","Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with double-helical chains or ladder-like networks","RSC Adv.","2016","","","","","10.1039/C5RA24044A","","","0.71073","MoKα","","0.0755","0.0579","","","0.1307","0.1391","","","","","","1.095","","","","has coordinates","174525","2020-10-21","18:00:00",""
"7223903","7.3024","0.0013","26.158","0.005","11.2559","0.0019","90","","108.694","0.01","90","","2036.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","GZ-455","","","- C22 H13 Hg N6 S2 -","- C22 H13 Hg N6 S2 -","- C88 H52 Hg4 N24 S8 -","4","1","","Zhang, Guoqi; Tan, Jiawen; Phoenix, Tonya; Manke, David; Golen, James A.; Rheingold, Arnold L.","Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with double-helical chains or ladder-like networks","RSC Adv.","2016","","","","","10.1039/C5RA24044A","","","0.71073","MoKα","","0.1","0.0743","","","0.1396","0.147","","","","","","1.263","","","","has coordinates,has disorder","174525","2020-10-21","18:00:00",""
"7223970","10.4622","0.0009","7.187","0.0006","13.4544","0.0012","90","","112.694","0.002","90","","933.34","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H16 Cd2 N5 O8.5 -","- C9 H3 Cd2 N4 O7.5 -","- C18 H6 Cd4 N8 O15 -","2","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.0882","0.0642","","","0.1667","0.1811","","","","","","1.056","","","","has coordinates,has disorder","177764","2020-10-21","18:00:00",""
"7224190","6.324","0.001","8.9082","0.0014","7.8468","0.0012","90","","91.684","0.004","90","","441.86","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","CpFe(CO)2NCS","","- C8 H5 Fe N O2 S -","- C8 H5 Fe N O2 S -","- C16 H10 Fe2 N2 O4 S2 -","2","0.5","","Poh, Hwa Tiong; Ho, Chi Lui Paul; Fan, Wai Yip","Cyclopentadienyl iron dicarbonyl (CpFe(CO)2) derivatives as apoptosis-inducing agents","RSC Adv.","2016","","","","","10.1039/C5RA23891A","","","0.71073","MoKα","","0.0405","0.031","","","0.0783","0.1073","","","","","","1.236","","","","has coordinates","176326","2020-10-21","18:00:00",""
"7224368","8.5269","0.0017","26.774","0.005","12.05","0.002","90","","105.38","0.03","90","","2652.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H20 Cu Gd I N4 O7.5 -","- C21 H19 Cu Gd I N4 O7.5 -","- C84 H76 Cu4 Gd4 I4 N16 O30 -","4","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0634","0.0535","","","0.126","0.1302","","","","","","1.094","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224384","9.6221","0.0009","24.191","0.003","13.991","0.0014","90","","94.128","0.006","90","","3248.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C53 H68 Br10 Cd N8 O -","- C53 H64 Br10 Cd N8 O -","- C106 H128 Br20 Cd2 N16 O2 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","1.54178","CuKα","","0.0901","0.0608","","","0.1706","0.1855","","","","","","1.055","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224385","9.585","0.0019","24.232","0.005","14.047","0.003","90","","94.31","0.03","90","","3253.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H68.4 Br10 Cd N9 O0.7 -","- C54 H67 Br10 Cd N9 O0.7 -","- C108 H134 Br20 Cd2 N18 O1.4 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","0.7749","Synchrotron","","0.0828","0.0773","","","0.2281","0.2343","","","","","","1.082","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7225253","7.651","0.0015","21.538","0.004","12.283","0.003","90","","98.89","0.03","90","","1999.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Dy N5 O22 -","- C34 H26 Dy N5 O17 -","- C68 H52 Dy2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0743","0.0715","","","0.1849","0.1877","","","","","","1.084","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225254","7.6434","0.0015","21.477","0.004","12.246","0.002","90","","98.6","0.03","90","","1987.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Er N5 O22 -","- C34 H26 Er N5 O17 -","- C68 H52 Er2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0734","0.0693","","","0.1758","0.1794","","","","","","1.093","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225255","7.6624","0.0015","21.609","0.004","12.271","0.003","90","","98.79","0.03","90","","2007.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Gd N5 O22 -","- C34 H26 Gd N5 O17 -","- C68 H52 Gd2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0941","0.0838","","","0.2225","0.2311","","","","","","1.1","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225256","7.6418","0.0015","21.485","0.004","12.249","0.002","90","","98.71","0.03","90","","1987.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 N5 O22 Tm -","- C34 H27 N5 O17 Tm -","- C68 H54 N10 O34 Tm2 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0687","0.0665","","","0.1764","0.179","","","","","","1.099","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225653","7.8459","0.0002","23.3803","0.0004","9.4868","0.0002","90","","110.37","0.003","90","","1631.43","0.07","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Bi2 Br11 N3 -","- C15 H18 Bi2 Br11 N3 -","- C30 H36 Bi4 Br22 N6 -","2","0.5","","Adonin, Sergey A.; Perekalin, Dmitry S.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","Heterogeneous bromination of alkenes using Bi(III) polybromide complexes as {Br2} source","RSC Adv.","2016","","","","","10.1039/C6RA10109G","","x-ray","0.71073","MoKα","","0.0319","0.0252","","","0.0532","0.0556","","","","","","1.052","","","","has coordinates","183879","2020-10-21","18:00:00",""
"7225851","7.5613","0.0002","18.8087","0.0003","11.8932","0.0002","90","","104.691","0.002","90","","1636.13","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H19 Cl N2 O2 Sn2 -","- C12 H19 Cl N2 O2 Sn2 -","- C48 H76 Cl4 N8 O8 Sn8 -","4","1","","Arjmand, F.; Sharma, S.; Usman, M.; Leu, B. M.; Hu, M. Y.; Toupet, L.; Gosztola, D.; Tabassum, S.","Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.","Physical chemistry chemical physics : PCCP","2016","18","27","17805","17809","10.1039/c6cp02914k","","x-ray","1.54184","CuKα","","0.0622","0.0604","","","0.1584","0.1624","","","","","","1.097","","","","has coordinates","185668","2020-10-21","18:00:00",""
"7226145","10.133","0.003","6.7797","0.0017","13.077","0.003","90","","91.44","0.02","90","","898.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br Hg I2 N3 O -","- C15 H10 Br Hg I2 N3 O -","- C30 H20 Br2 Hg2 I4 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0903","0.0718","","","0.1856","0.199","","","","","","1.099","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226146","9.8327","0.0014","6.6591","0.0013","12.8974","0.0017","90","","91.698","0.011","90","","844.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br3 Hg N3 O -","- C15 H10 Br3 Hg N3 O -","- C30 H20 Br6 Hg2 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0952","0.0906","","","0.171","0.192","","","","","","1.149","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226737","9.6662","0.0004","18.89","0.0008","14.4567","0.0006","90","","91.464","0.001","90","","2638.85","0.19","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C61 H58 Cl2 N8 O2 -","- C61 H59 Cl1.98 N8 O2 -","- C122 H118 Cl3.96 N16 O4 -","2","0.5","","Salpage, Sahan R.; Xu, Yuewen; Som, Bozumeh; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Pyridyl-phenylethynylene Bis-Urea Macrocycle: Self-assembly and Utility as a Nanoreactor for the Selective Photoreaction of Isoprene","RSC Adv.","2016","","","","","10.1039/C6RA18681E","","","0.71073","MoKα","","0.1066","0.075","","","0.2161","0.241","","","","","","1.017","","","","has coordinates,has disorder","187016","2020-10-21","18:00:00",""
"7226905","4.3404","0.0007","7.7073","0.0012","8.6344","0.0015","90","","91.363","0.009","90","","288.76","0.08","120","2","120","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","DW-Y-2 2-amino-5-ethynylpyrimidine","","- C6 H5 N3 -","- C6 H5 N3 -","- C12 H10 N6 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0524","0.0416","","","0.1199","0.1299","","","","","","1.067","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7227051","9.6649","0.0003","7.056","0.0002","16.1763","0.0006","90","","96.103","0.003","90","","1096.9","0.06","130","2","130","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H23 N6 -","- C26 H23 N6 -","- C52 H46 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.063","0.0563","","","0.1452","0.1568","","","","","","1.062","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227414","4.8755","0.0014","5.9345","0.0018","7.808","0.002","90","","99.205","0.003","90","","223","0.11","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H4 N2 O3 -","- C2 H4 N2 O3 -","- C4 H8 N4 O6 -","2","0.5","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0589","0.0471","","","0.122","0.1301","","","","","","1.149","","","","has coordinates","190378","2020-10-21","18:00:00",""
"7227415","4.7863","0.0015","6.0338","0.0019","9.375","0.003","90","","99.945","0.003","90","","266.68","0.15","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C6 H12 N4 O6 -","2","0.5","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0526","0.0364","","","0.0868","0.0919","","","","","","1.1","","","","has coordinates,has disorder","190378","2020-10-21","18:00:00",""
"7228045","9.581","0.0003","41.4136","0.0015","9.8344","0.0004","90","","98.146","0.004","90","","3862.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C81 H58 N9 Ni3 O17 -","- C81 H58 N9 Ni3 O17 -","- C162 H116 N18 Ni6 O34 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0816","0.0556","","","0.1345","0.1537","","","","","","1.039","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228210","14.71","0.003","21.288","0.004","19.399","0.004","90","","110.49","0.03","90","","5690","2","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C113 H104 Cu3 F N4 O2 P6 -","- C114 H104 Cu3 F N4 O2 P6 -","- C228 H208 Cu6 F2 N8 O4 P12 -","2","0.5","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0843","0.0649","","","0.205","0.2199","","","","","","1.208","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228488","6.9926","0.0002","20.0065","0.0005","7.0055","0.0002","90","","109.827","0.0008","90","","921.96","0.04","303","2","303","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H K5 O18 U5 -","- K5 O18 U5 -","- K10 O36 U10 -","2","0.5","","Felder, Justin B.; Smith, Mark D.; zur Loye, Hans-Conrad","Supercritical synthesis and topological analysis of K5U5O17(OH)","CrystEngComm","2017","","","","","10.1039/C7CE00746A","","","0.71073","MoKα","","0.024","0.0197","","","0.0424","0.0434","","","","","","1.138","","","","has coordinates","197870","2020-10-21","18:00:00",""
"7228598","8.0763","0.0004","18.6613","0.0011","10.3428","0.0005","90","","91.98","0.002","90","","1557.88","0.14","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H31 B F2 N4 -","- C38 H31 B F2 N4 -","- C76 H62 B2 F4 N8 -","2","0.5","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1091","0.0645","","","0.1318","0.1531","","","","","","1.109","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228714","11.409","0.004","7.015","0.002","17.742","0.006","90","","102.483","0.003","90","","1386.4","0.8","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 As Cl4 Ga S2 -","- C7 H6 As Cl4 Ga S2 -","- C28 H24 As4 Cl16 Ga4 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.0248","0.0218","","","0.0531","0.0547","","","","","","1.071","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228718","11.472","0.0007","7.0562","0.0005","17.819","0.002","90","","102.135","0.003","90","","1410.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 Al As Cl4 S2 -","- C7 H6 Al As Cl4 S2 -","- C28 H24 Al4 As4 Cl16 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.1095","0.0879","","","0.2281","0.2366","","","","","","1.203","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228767","9.5077","0.0019","8.6571","0.0017","10.041","0.002","90","","111.63","0.03","90","","768.3","0.3","110","2","110","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","ferrocene iodophenylacetylene","","- C18 H15 Fe I -","- C18 H15 Fe I -","- C36 H30 Fe2 I2 -","2","0.5","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0185","0.0177","","","0.049","0.0501","","","","","","1.103","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228917","8.94745","0.00005","15.10359","0.00011","14.92421","0.00009","90","","106.155","0.0006","90","","1937.19","0.02","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","N2-(2-benzamidophenyl)-N6-phenylpyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C42 H56 F N5 O3 -","- C42 H56 F N5 O3 -","- C84 H112 F2 N10 O6 -","2","0.5","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0398","0.0378","","","0.1005","0.1027","","","","","","1.004","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7229167","7.0697","0.0005","24.7757","0.0019","18.1496","0.0014","90","","99.049","0.001","90","","3139.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H42 Cu7 I6 N7 O21 Pr2 -","- C42 H42 Cu7 I6 N7 O21 Pr2 -","- C84 H84 Cu14 I12 N14 O42 Pr4 -","2","0.5","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","0.71073","MoKα","","0.038","0.0343","","","0.0905","0.093","","","","","","1.068","","","","has coordinates","200868","2020-10-21","18:00:00",""
"7229438","5.9059","0.0003","6.3964","0.0003","8.9893","0.0004","90","","100.064","0.002","90","","334.36","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H10 Cl N O2 -","- C4 H10 Cl N O2 -","- C8 H20 Cl2 N2 O4 -","2","0.5","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0361","0.0288","","","0.0738","0.0781","","","","","","0.831","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229549","10.1841","0.0019","21.484","0.004","10.4012","0.0017","90","","100.3","0.006","90","","2239.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H17 N4 O7 S Zn -","- C32.614 H18 N4 O7 S Zn -","- C65.228 H36 N8 O14 S2 Zn2 -","2","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.1155","0.0686","","","0.1569","0.1743","","","","","","1.061","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229742","6.1256","0.0012","7.9158","0.0016","9.5663","0.0019","90","","103.29","0.03","90","","451.44","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.037","0.0314","","","0.0728","0.0761","","","","","","1.037","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229743","6.25","0.012","8.164","0.016","9.64","0.02","90","","101.49","0.04","90","","482","1.7","363","2","363","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.2346","0.191","","","0.4587","0.4877","","","","","","1.011","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229744","6.0331","0.0012","7.8583","0.0016","9.5127","0.0019","90","","103.67","0.03","90","","438.22","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.056","0.045","","","0.0996","0.1054","","","","","","1.06","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229745","6.149","0.018","8.012","0.002","9.507","0.003","90","","101.19","0.02","90","","459.5","1.4","368","2","368","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.3247","0.2759","","","0.5531","0.5892","","","","","","1.075","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229960","15.4566","0.0007","10.6707","0.0005","16.0942","0.0007","90","","115.744","0.002","90","","2390.99","0.19","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","e{N(CH2CH2)2N}2C60?3I2?CS2?C6H6","","- C72 H19 I4 N4 S2 -","- C72 H19 I4 N4 S2 -","- C144 H38 I8 N8 S4 -","2","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","0.7749","synchrotron","","0.0502","0.0369","","","0.0869","0.0927","","","","","","1.055","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7230839","9.151","0.0002","16.1119","0.0003","11.5547","0.0002","90","","112.908","0.0007","90","","1569.26","0.05","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Br2 F4 N4 P2 Se2 -","- C22 H37.5 Br2 F4 N4 P2 Se2 -","- C44 H75 Br4 F8 N8 P4 Se4 -","2","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0321","0.0235","","","0.0499","0.0521","","","","","","1.027","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7231022","11.8036","0.0001","33.2827","0.0004","12.5383","0.0001","90","","109.616","0.001","90","","4639.87","0.08","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","[hexakis(isonicotinoyl)cyclotricatechylene]disilver(I) tetrafluoroborate dimethylformamide hydrate","","- C81 H96 Ag2 B2 F8 N14 O22 -","- C81 H92 Ag2 B2 F8 N14 O22 -","- C162 H184 Ag4 B4 F16 N28 O44 -","2","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.0754","0.0704","","","0.2009","0.208","","","","","","1.036","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231212","9.077","0.002","6.9098","0.0015","13.708","0.002","90","","107.735","0.007","90","","818.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,5-pirazole-Cl","'ethyl 1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C32 H38 Cl2 N4 O4 -","2","0.5","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0681","0.0443","","","0.1127","0.1257","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231450","5.9346","0.0002","16.9487","0.0006","10.0933","0.0004","90","","99.999","0.002","90","","999.8","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H19 N4 O Si -","- C21 H19 N4 O Si -","- C42 H38 N8 O2 Si2 -","2","0.5","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes","Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.","Physical chemistry chemical physics : PCCP","2018","20","35","22902","22908","10.1039/c8cp03332c","","","0.71073","MoKα","","0.0476","0.0385","","","0.0885","0.093","","","","","","1.061","","","","has coordinates","230942","2020-10-21","18:00:00",""
"7231534","3.2574","0.0012","5.9387","0.0014","7.246","0.003","90","","101.805","0.009","90","","137.21","0.08","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C H2 Cu O3 -","- C H2 Cu O3 -","- C2 H4 Cu2 O6 -","2","0.5","","Fujita, Wataru","Crystal structures, and magnetic and thermal properties of basic copper formates with two-dimensional triangular-lattice magnetic networks","RSC Advances","2018","8","57","32490","","10.1039/C8RA07134A","","","0.71075","MoKα","","0.0319","0.0296","","","0.074","0.0755","","","","","","1.089","","","","has coordinates","211081","2020-10-21","18:00:00",""
"7231584","11.5518","0.0004","6.0963","0.0002","16.7209","0.0008","90","","99.075","0.004","90","","1162.8","0.08","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Li4 O4 Si -","- Li4 O4 Si -","- Li56 O56 Si14 -","14","3.5","","Grasso, M. L.; Blanco, M. V.; Cova, F.; González, J A; Arneodo Larochette, P.; Gennari, F. C.","Evaluation of the formation and carbon dioxide capture by Li<sub>4</sub>SiO<sub>4</sub> using in situ synchrotron powder X-ray diffraction studies.","Physical chemistry chemical physics : PCCP","2018","20","41","26570","26579","10.1039/c8cp03611j","powder diffraction","","0.1771","synchrotron","","","","","","","","","5.6651","4.2","","","","","","","has coordinates","230906","2020-10-21","18:00:00",""
"7231635","10.0714","0.0005","17.5006","0.0005","10.6518","0.0006","90","","115.604","0.007","90","","1693.08","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H43 Br2 I N6 O2 -","- C33 H43 Br2 I N6 O2 -","- C66 H86 Br4 I2 N12 O4 -","2","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0846","0.0534","","","0.108","0.1223","","","","","","1.033","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231862","11.5257","0.0002","21.7684","0.0004","20.6414","0.0004","90","","92.715","0.001","90","","5173.03","0.16","190","2","190","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C76 H74 Cl Fe4 N7 O12 S4 -","- C72 H62 Cl Fe4 N6 O12 S4 -","- C144 H124 Cl2 Fe8 N12 O24 S8 -","2","0.5","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0643","0.0446","","","0.1123","0.122","","","","","","0.946","","","","has coordinates","212173","2020-10-21","18:00:00",""
"7231863","11.5232","0.0002","21.9302","0.0004","20.4472","0.0004","90","","93.037","0.001","90","","5159.87","0.16","190","2","190","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co4 Cl (C40 H44 S4 O4) (C16 H9 N3 O4)2](CH3)4N","","","- C76 H74 Cl Co4 N7 O12 S4 -","- C72 H62 Cl Co4 N6 O12 S4 -","- C144 H124 Cl2 Co8 N12 O24 S8 -","2","0.5","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0522","0.0378","","","0.087","0.0925","","","","","","1.013","","","","has coordinates","212173","2020-10-21","18:00:00",""
"7232111","4.5995","0.0004","7.7964","0.0007","9.3711","0.0008","90","","101.201","0.001","90","","329.64","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-chlorobenzonitrile oxide","4-chlorobenzonitrile-N-oxide","","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C14 H8 Cl2 N2 O2 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0269","0.0244","","","0.0675","0.0698","","","","","","1.092","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7233104","4.6688","0.0009","6.2057","0.0013","8.898","0.002","90","","101.486","0.019","90","","252.64","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","glycinamide hydrochloride","","- C2 H7 Cl N2 O -","- C2 H7 Cl N2 O -","- C4 H14 Cl2 N4 O2 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.045","0.0369","","","0.0921","0.0977","","","","","","1.085","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233169","8.859","0.003","7.16","0.002","11.567","0.004","90","","95.287","0.011","90","","730.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H20 Cl4 N8 Zn2 -","- C26 H20 Cl4 N8 Zn2 -","- C26 H20 Cl4 N8 Zn2 -","1","0.25","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","","0.71073","MoKα","","0.0695","0.0549","","","0.1381","0.1466","","","","","","0.992","","","","has coordinates","217100","2020-10-21","18:00:00",""
"7233172","8.8612","0.0004","7.1511","0.0003","11.5516","0.0005","90","","95.301","0.004","90","","728.86","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl2 N5 Zn -","- C12 H9 Cl2 N5 Zn -","- C24 H18 Cl4 N10 Zn2 -","2","0.5","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","x-ray","1.54184","CuKα","","0.0491","0.0428","","","0.1444","0.1492","","","","","","1.105","","","","has coordinates,has disorder","217100","2020-10-21","18:00:00",""
"7233292","3.7497","0.0005","14.1534","0.0017","10.3386","0.0013","90","","97.855","0.004","90","","543.53","0.12","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H6 N6 -","- C11 H6 N6 -","- C22 H12 N12 -","2","0.5","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0841","0.0644","","","0.1462","0.153","","","","","","1.197","","","","has coordinates","217344","2020-10-21","18:00:00",""
"7233904","4.771","0.001","7.21","0.0014","13.036","0.003","90","","97.76","0.03","90","","444.32","0.17","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) propanoate","Lead(II) propionate","","- C6 H10 O4 Pb -","- C6 H10 O4 Pb -","- C12 H20 O8 Pb2 -","2","0.5","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","","","0.9779","Synchrotron","","0.073","0.0715","","","0.1713","0.1749","","","","","","1.067","","","","has coordinates","218362","2020-10-21","18:00:00",""
"7233907","4.7781","0.00005","7.21366","0.00007","13.0582","0.0001","90","","97.8573","0.0009","90","","445.859","0.007","298","2","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) propionate","","","- C6 H10 O4 Pb -","- C6 H10 O4 Pb -","- C12 H20 O8 Pb2 -","2","0.5","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","powder diffraction","","1.54056","CuKα","","","","","","","","","6.3348","1.32","","","","","","","has coordinates","218365","2020-10-21","18:00:00",""
"7233931","7.1119","0.0017","7.1154","0.0017","10.282","0.002","90","","90.989","0.004","90","","520.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H8 B F2 O3 -","- C10 H8 B F2 O3 -","- C20 H16 B2 F4 O6 -","2","0.5","","Ignacio Sanchez; Cristina Nunez; Jose Antonio Campo; M. Rosario Torres; Mercedes Cano; Carlos Lodeiro","Polycatenar unsymmetrical beta-diketonate ligands as a useful tool to induce columnar mesomorphism on highly luminescent boron difluoride complexes","Journal of Materials Chemistry C","2014","2","","9653","9655","10.1039/C4TC01373E","","","0.71073","MoKα","","0.1052","0.0378","","","0.0785","0.0919","","","","","","0.995","","","","has coordinates","218421","2020-10-21","18:00:00",""
"7233942","5.8521","0.0003","7.517","0.0004","12.737","0.0006","90","","94.458","0.005","90","","558.61","0.05","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H12 Cl F2 N O4 -","- C14 H24 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.0986","0.0874","","","0.1571","0.1629","","","","","","1.134","","","","has coordinates","218524","2020-10-21","18:00:00",""
"7233943","5.8745","0.0003","7.5347","0.0003","12.7728","0.0006","90","","94.896","0.004","90","","563.29","0.05","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H12 Cl F2 N O4 -","- C14 H24 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.1039","0.0875","","","0.1755","0.1864","","","","","","1.095","","","","has coordinates","218525","2020-10-21","18:00:00",""
"7233944","5.8905","0.0003","7.5414","0.0005","12.7949","0.0007","90","","95.151","0.005","90","","566.09","0.06","230","2","230","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H13 Cl F2 N O4 -","- C14 H26 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.1026","0.0862","","","0.1699","0.1799","","","","","","1.072","","","","has coordinates","218526","2020-10-21","18:00:00",""
"7234143","5.0632","0.0016","15.0923","0.0017","8.2579","0.0012","90","","104.839","0.003","90","","610","0.2","291","2","291","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H6 F6 N2 -","- C12 H6 F6 N2 -","- C24 H12 F12 N4 -","2","0.5","","Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo","Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility","Journal of Materials Chemistry C","2015","3","","3694","3701","10.1039/C5TC00073D","","","0.71073","MoKα","","0.0711","0.0468","","","0.1002","0.1019","","","","","","1.049","","","","has coordinates,has disorder","218828","2020-10-21","18:00:00",""
"7234328","10.4681","0.0004","10.4451","0.0004","15.8449","0.0006","90","","104.194","0.004","90","","1679.6","0.11","250","2","250","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26.3 H26.7 Au2 Fe N7.5 O1.8 -","- C20 H12 Au2 Fe N6 -","- C40 H24 Au4 Fe2 N12 -","2","0.5","","Jin-Yan Li; Chun-Ting He; Yan-Cong Chen; Ze-Min Zhang; Wei Liu; Zhao-Ping Ni; Ming-Liang Tong","Tunable cooperativity in a spin-crossover Hoffman-like metal-organic framework material by aromatic guests","Journal of Materials Chemistry C","2015","3","","7830","7835","10.1039/C5TC00432B","","","1.54178","CuKα","","0.0641","0.0557","","","0.1641","0.1701","","","","","","1.085","","","","has coordinates,has disorder","219062","2020-10-21","18:00:00",""
"7234329","10.1153","0.0003","10.0824","0.0003","15.4366","0.0006","90","","100.79","0.004","90","","1546.49","0.09","95","2","95","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26.3 H26.7 Au2 Fe N7.5 O1.8 -","- C20 H12 Au2 Fe N6 -","- C40 H24 Au4 Fe2 N12 -","2","0.5","","Jin-Yan Li; Chun-Ting He; Yan-Cong Chen; Ze-Min Zhang; Wei Liu; Zhao-Ping Ni; Ming-Liang Tong","Tunable cooperativity in a spin-crossover Hoffman-like metal-organic framework material by aromatic guests","Journal of Materials Chemistry C","2015","3","","7830","7835","10.1039/C5TC00432B","","","1.54178","CuKα","","0.0605","0.0533","","","0.1534","0.1606","","","","","","1.094","","","","has coordinates,has disorder","219062","2020-10-21","18:00:00",""
"7234537","5.693","0.002","3.2498","0.0011","9.41","0.003","90","","100.317","0.007","90","","171.28","0.1","298","2","298","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- K0.36 S2 W -","- K0.36 S2 W -","- K0.72 S4 W2 -","2","0.5","","Mao, Yuanlv; Xie, Miao; Zhao, Wei; Yuan, Kaidi; Fang, Yuqiang; Huang, Fuqiang","K0.36(H2O)yWS2: a new layered compound for reversible hydrated potassium ion intercalation in aqueous electrolyte","RSC Advances","2019","9","55","32323","","10.1039/C9RA07718A","","","0.71073","MoKα","","0.0317","0.0308","","","0.0807","0.0811","","","","","","1.118","","","","has coordinates,has disorder","219269","2020-10-21","18:00:00",""
"7234545","10.011","0.0009","6.9999","0.0006","11.576","0.001","90","","101.36","0.01","90","","795.31","0.12","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","0.5","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0465","0.0448","","0.1059","0.1043","0.1059","","","","","","0.9391","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234885","6.18","0.007","3.757","0.004","6.734","0.007","90","","111.075","0.017","90","","145.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Gd H2 O2 -","- Cl Gd H2 O2 -","- Cl2 Gd2 H4 O4 -","2","0.5","","Yanyan Wang; Lei Qin; Guo-Jun Zhou; Xinxin Ye; Jiaqing He; Yan-Zhen Zheng","High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride","Journal of Materials Chemistry C","2016","4","","6473","6477","10.1039/C6TC01291D","","","0.71073","MoKα","","0.0379","0.0342","","","0.0858","0.0882","","","","","","1.118","","","","has coordinates","220590","2020-10-21","18:00:00",""
"7235964","10.1792","0.0015","6.7279","0.0009","12.8158","0.0018","90","","111.698","0.004","90","","815.5","0.2","571","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H16 Co2 N4 O11 -","- C9 H8 Co2 N4 O11 -","- C18 H16 Co4 N8 O22 -","2","0.5","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping","Spin-canting magnetization in 3D metal organic frameworks based on strip-shaped Δ-chains","RSC Advances","2015","5","94","76752","","10.1039/C5RA15937G","","","0.71073","MoKα","","0.038","0.0345","","","0.0954","0.0983","","","","","","1.025","","","","has coordinates","233790","2020-10-21","18:00:00",""
"7235965","10.015","0.0009","6.6124","0.0005","12.4721","0.0011","90","","109.412","0.002","90","","778.99","0.11","571","2","571","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 Cu2 N4 O10 -","- C9 H8 Cu2 N4 O10 -","- C18 H16 Cu4 N8 O20 -","2","0.5","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping","Spin-canting magnetization in 3D metal organic frameworks based on strip-shaped Δ-chains","RSC Advances","2015","5","94","76752","","10.1039/C5RA15937G","","","1.54178","CuKα","","0.1726","0.105","","","0.2335","0.2989","","","","","","1.002","","","","has coordinates,has disorder","233790","2020-10-21","18:00:00",""
"7236127","13.7949","0.0005","18.8786","0.0006","19.6726","0.0008","90","","105.417","0.004","90","","4938.9","0.3","298","2","298","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C64 H84 Cl Mo13 N17 O48 P Zn3 -","- C64 H40 Cl Mo13 N17 O45 P Zn3 -","- C128 H80 Cl2 Mo26 N34 O90 P2 Zn6 -","2","0.5","","Yang, Xiaojian; Feng, Xiaojia; Tan, Huaqiao; Zang, Hongying; Wang, Xinlong; Wang, Yonghui; Wang, Enbo; Li, Yangguang","N-Doped graphene-coated molybdenum carbide nanoparticles as highly efficient electrocatalysts for the hydrogen evolution reaction","Journal of Materials Chemistry A","2016","4","10","3947","","10.1039/C5TA09507G","","","0.71073","MoKα","","0.072","0.0468","","","0.1146","0.1295","","","","","","1.082","","","","has coordinates,has disorder","233942","2020-10-21","18:00:00",""
"7236323","6.1712","0.0003","8.0425","0.0005","10.4934","0.0004","90","","98.806","0.004","90","","514.67","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H20 B2 N P -","- C4 H20 B2 N P -","- C8 H40 B4 N2 P2 -","2","0.5","","Zhang, Wenquan; Qi, Xiujuan; Huang, Shi; Li, Jianling; Tang, Chenglong; Li, Jinshan; Zhang, Qinghua","Bis(borano)hypophosphite-based ionic liquids as ultrafast-igniting hypergolic fuels","Journal of Materials Chemistry A","2016","4","23","8978","","10.1039/C6TA02699K","","","1.54184","CuKα","","0.0674","0.0614","","","0.177","0.1863","","","","","","1.116","","","","has coordinates,has disorder","235397","2020-10-21","18:00:00",""
"7236468","12.6163","0.0002","6.87229","0.0001","15.3236","0.0003","90","","111.884","0.002","90","","1232.86","0.04","183","1","183","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(1-methyl-3-phenyl-2,3-dihydro-1H-imidazole)-bis(4-fluorophenylethynyl)-gold(iii) hexane solvate 2:1","","- C29 H24 Au F2 N2 -","- C29 H24 Au F2 N2 -","- C58 H48 Au2 F4 N4 -","2","0.5","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","1.54184","CuKα","","0.0251","0.0243","","","0.0641","0.0647","","","","","","1.08","","","","has coordinates,has disorder","235561","2020-10-21","18:00:00",""
"7236508","12.916","0.004","6.8394","0.0018","14.546","0.005","90","","112.385","0.008","90","","1188.1","0.6","173","","173","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H26 F5 N O2 Pt S -","- C22 H26 F5 N O2 Pt S -","- C44 H52 F10 N2 O4 Pt2 S2 -","2","0.5","","Henwood, Adam F.; Webster, James; Cordes, David; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli","Phosphorescent platinum(ii) complexes bearing pentafluorosulfanyl substituted cyclometalating ligands","RSC Advances","2017","7","41","25566","","10.1039/C7RA03190D","","","0.71075","MoKα","","0.0968","0.0746","","","0.1799","0.1994","","","","","","1.165","","","","has coordinates","236242","2020-10-21","18:00:00",""
"7237226","7.7684","0.0006","12.9163","0.001","9.8493","0.0007","90","","100.421","0.003","90","","971.97","0.13","110","2","110","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C2 H9.5 La0.5 N9 O4 -","- C2 H9.5 La0.5 N9 O4 -","- C8 H38 La2 N36 O16 -","4","1","","Dahan, Moran; Komarala, Eswaravara; Fadeev, Ludmila; Chinnam, Ajay K.; Shlomovich, Avital; Lipstman, Sophia; Padi, Siva P.; Haustein, Herman; Gozin, Michael; Rosen, Brian A.","Methane dry reforming catalyst prepared by the co-deflagration of high-nitrogen energetic complexes","Journal of Materials Chemistry A","2019","7","1","141","","10.1039/C8TA08343F","","","0.71073","MoKα","","0.0199","0.0189","","","0.0448","0.0456","","","","","","1.062","","","","has coordinates","237501","2020-10-21","18:00:00",""
"7237286","7.3865","0.0006","8.616","0.0006","7.512","0.0006","90","","109.395","0.009","90","","450.95","0.07","353","2","353","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bromocholine bromide","(2-Bromoethyl)trimethylammonium bromide","","- C5 H13 Br2 N -","- C5 H13 Br2 N -","- C10 H26 Br4 N2 -","2","0.5","","Wang, Sha-Sha; Chen, Xiao-Xian; Huang, Bo; Su, Yu-Jun; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Bromocholine bromide is a molecular ferroelectric with moderate phase transition temperature","Journal of Materials Chemistry C","2018","6","9","2221","","10.1039/C8TC00419F","","","0.71073","MoKα","","0.0374","0.0296","","","0.0719","0.0748","","","","","","1.087","","","","has coordinates,has disorder","237558","2020-10-21","18:00:00",""
"7237316","6.8969","0.0007","15.6638","0.0014","9.6068","0.001","90","","102.059","0.01","90","","1014.94","0.18","90","","90","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H8 Co N8 O5 Tb -","- C16 H8 Co N8 O5 Tb -","- C32 H16 Co2 N16 O10 Tb2 -","2","0.5","","Kumar, Kunal; Chorazy, Szymon; Nakabayashi, Koji; Sato, Hiroyasu; Sieklucka, Barbara; Ohkoshi, Shin-ichi","TbCo and Tb0.5Dy0.5Co layered cyanido-bridged frameworks for construction of colorimetric and ratiometric luminescent thermometers","Journal of Materials Chemistry C","2018","6","31","8372","","10.1039/C8TC01305E","","x-ray","0.71073","MoKα","","0.1509","0.1365","","","0.3487","0.3592","","","","","","1.524","","","","has coordinates,has disorder","237589","2020-10-21","18:00:00",""
"7237341","6.7315","0.0004","15.9916","0.0009","6.9266","0.0004","90","","90.922","0.003","90","","745.53","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C H12 Cd3 Cl7 N O3 -","- C H12 Cd3 Cl7 N O3 -","- C2 H24 Cd6 Cl14 N2 O6 -","2","0.5","","Hsu, Hsien-Yi; Ji, Li; Zhang, Chengxi; Mak, Chun Hong; Liu, Rugeng; Wang, Tie; Zou, Xingli; Leu, Shao-Yuan; Yu, Edward T.","Ultra-stable 2D layered methylammonium cadmium trihalide perovskite photoelectrodes","Journal of Materials Chemistry C","2018","6","43","11552","","10.1039/C8TC02153H","","","0.71073","MoKα","","0.0238","0.0192","","","0.0405","0.0424","","","","","","1.061","","","","has coordinates","237615","2020-10-21","18:00:00",""
"7237735","7.3108","0.0005","6.7983","0.0005","14.1226","0.0011","90","","91.598","0.002","90","","701.63","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 B F2 N3 O2 -","- C14 H13 B F2 N3 O2 -","- C28 H26 B2 F4 N6 O4 -","2","0.5","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","","0.71073","MoKα","","0.0504","0.0402","","","0.0996","0.1038","","","","","","1.103","","","","has coordinates,has disorder","238570","2020-10-21","18:00:00",""
"7237754","7.6155","0.0019","31.336","0.008","8.892","0.002","90","","108.991","0.005","90","","2006.5","0.8","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C45 H38 Cl3 D N2 O2 S3 -","- C45 H38 Cl3 D N2 O2 S3 -","- C90 H76 Cl6 D2 N4 O4 S6 -","2","0.5","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","","0.6889","synchrotron","","0.106","0.0994","","","0.2634","0.2703","","","","","","1.059","","","","has coordinates,has disorder","238584","2020-10-21","18:00:00",""
"7238016","9.3553","0.0005","25.1617","0.0013","9.5973","0.0005","90","","95.653","0.005","90","","2248.2","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C120 H100 N4 O12 -","4","1","","Zhang, Fang; Liang, Xiaozhong; Li, Da; Yin, Xiangkai; Tian, Xia; Li, Bin; Xu, Hong; Guo, Kunpeng; Li, Jie","Utilizing the heterocyclic effect towards high contrast ratios of mechanoresponsive luminescence based on aromatic aldehydes","Journal of Materials Chemistry C","2019","7","39","12328","","10.1039/C9TC04586D","","","0.71073","MoKα","","0.1184","0.073","","","0.1888","0.222","","","","","","1.063","","","","has coordinates,has disorder","238837","2020-10-21","18:00:00",""
"7238080","7.0681","0.0012","11.9013","0.0012","9.3556","0.0012","90","","90.931","0.007","90","","786.89","0.19","125","","125","","","","","","","","see text","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C40 H42 N6 -","2","0.5","","Oosterbaan, Wibren D.; Havenith, Remco W. A.; van Walree, Cornelis A.; Jenneskens, Leonardus W.; Gleiter, Rolf; Kooijman, Huub; Spek, Anthony L.","The occurrence of through-bond orbital interactions in an α,ω donor‒acceptor substituted bi(cyclohexylidene) and bi(cyclohexyl). X-Ray diffraction, UV‒Vis absorption and photoelectron spectroscopy, ab initio SCF-MO and natural bond orbital analyses†","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1066","","10.1039/b102410h","","","0.71073","MoKα","","0.0532","0.0396","","","0.1017","0.1112","","","","","","1.047","","","","has coordinates","243914","2020-10-21","18:00:00",""
"7238081","7.0137","0.001","11.941","0.002","9.6449","0.0017","90","","92.286","0.011","90","","807.1","0.2","150","","150","","","","","","","","see text","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C40 H46 N6 -","2","0.5","","Oosterbaan, Wibren D.; Havenith, Remco W. A.; van Walree, Cornelis A.; Jenneskens, Leonardus W.; Gleiter, Rolf; Kooijman, Huub; Spek, Anthony L.","The occurrence of through-bond orbital interactions in an α,ω donor‒acceptor substituted bi(cyclohexylidene) and bi(cyclohexyl). X-Ray diffraction, UV‒Vis absorption and photoelectron spectroscopy, ab initio SCF-MO and natural bond orbital analyses†","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1066","","10.1039/b102410h","","","0.71073","MoKα","","0.0739","0.0545","","","0.1172","0.1277","","","","","","0.954","","","","has coordinates","243914","2020-10-21","18:00:00",""
"7239190","11.174","0.0012","15.3189","0.0017","15.2751","0.0015","90","","93.765","0.001","90","","2609","0.5","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C52 H44 Ag4 N24 O2 -","- C52 H44 Ag4 N24 O2 -","- C104 H88 Ag8 N48 O4 -","2","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.1478","0.0899","","","0.1994","0.2375","","","","","","1.092","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239197","6.3554","0.0013","17.096","0.003","10.443","0.002","90","","101.9","0.03","90","","1110.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H22 Cd N6 Se4 -","- C14 H22 Cd N6 Se4 -","- C28 H44 Cd2 N12 Se8 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0375","0.0294","","","0.0608","0.0642","","","","","","1.039","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239416","7.7525","0.0006","14.2782","0.001","10.7005","0.0008","90","","107.11","0.007","90","","1132.03","0.15","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 F12 N O2 -","- C20 H25 F12 N O2 -","- C40 H50 F24 N2 O4 -","2","0.5","","Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A.","An anion-binding fluorinated alcohol isophthalamide isostere","RSC Advances","2014","4","11","5389","","10.1039/C3RA45956J","","","0.71075","MoKα","","0.0333","0.0293","","","0.0751","0.0778","","","","","","1.077","","","","has coordinates,has disorder","244692","2020-10-21","18:00:00",""
"7239700","4.7609","0.0005","8.472","0.001","23.813","0.002","90","","92.392","0.007","90","","959.64","0.17","250","","250","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H20 Cl N -","- C9 H10 Cl0.5 N0.5 -","- C36 H40 Cl2 N2 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.0837","0.0603","","","0.1927","0.2033","","","","","","1.112","","","","has coordinates,has disorder","257492","2020-10-21","18:00:00",""
"7239984","7.1931","0.0003","7.0581","0.0004","8.4454","0.0004","90","","92.515","0.004","90","","428.36","0.04","107","4","107","4","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","0.5","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0907","0.0936","","","","","","1.057","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7240508","4.3369","0.0008","8.4079","0.0017","9.736","0.002","90","","94.12","0.018","90","","354.1","0.12","293","2","293","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","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0968","0.0811","","","0.2208","0.2298","","","","","","1.089","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240510","4.3789","0.0003","8.5332","0.0007","9.9405","0.0006","90","","95.16","0.006","90","","369.93","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C10 H10 Br2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0611","0.057","","","0.155","0.1573","","","","","","1.063","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240598","9.7632","0.0018","7.9567","0.0015","12.92","0.003","90","","106.11","0.02","90","","964.2","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Eu2 O15 -","- C15 H18 Eu2 O15 -","- C30 H36 Eu4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0328","0.0251","","","0.055","0.0595","","","","","","1.071","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240600","9.7575","0.0009","7.9696","0.0007","12.8428","0.0015","90","","106.131","0.011","90","","959.38","0.17","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 O15 Tb2 -","- C15 H18 O15 Tb2 -","- C30 H36 O30 Tb4 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.0709","0.0613","","","0.1448","0.1534","","","","","","1.087","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240603","9.759","0.002","7.9677","0.0016","12.79","0.003","90","","106.22","0.03","90","","954.9","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Dy2 O15 -","- C15 H18 Dy2 O15 -","- C30 H36 Dy4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.11","0.0963","","","0.2124","0.2233","","","","","","1.076","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240647","5.6105","0.0002","21.6543","0.0009","8.996","0.0004","90","","94.695","0.002","90","","1089.27","0.08","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H24 N3 O8 P -","- C21 H20 N3 O6 P -","- C42 H40 N6 O12 P2 -","2","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0451","0.0428","","","0.105","0.1064","","","","","","1.079","","","","has coordinates,has disorder","258120","2020-10-21","18:00:00",""
"7240669","5.7373","0.0003","30.1441","0.0016","6.1322","0.0003","90","","109.223","0.003","90","","1001.41","0.09","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C19 H34 N6 -","- C19 H34 N6 -","- C38 H68 N12 -","2","0.5","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.1088","0.0768","","","0.2032","0.2351","","","","","","1.062","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240965","10.759","0.002","19.33","0.004","12.307","0.003","90","","100.26","0.03","90","","2518.6","1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C58 H74 Mg4 N6 O26 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.1944","0.1072","","","0.3159","0.3707","","","","","","1.064","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240971","7.0491","0.0002","19.8236","0.0005","8.8113","0.0002","90","","107.547","0.003","90","","1173.99","0.06","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 Cd N5 O7 -","- C20 H25 Cd N5 O7 -","- C40 H50 Cd2 N10 O14 -","2","0.5","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.0277","0.0261","","","0.0694","0.0703","","","","","","1.091","","","","has coordinates","254719","2020-10-21","18:00:00",""
"7241135","10.1639","0.0003","8.8011","0.0003","12.5028","0.0004","90","","109.928","0.002","90","","1051.45","0.06","99.97","","99.97","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C14 H21 Cl2 F3 Fe N5 O4 S -","- C14 H21 Cl2 F3 Fe N5 O4 S -","- C28 H42 Cl4 F6 Fe2 N10 O8 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0628","0.0502","","","0.0947","0.0994","","","","","","1.117","","","","has coordinates,has disorder","258042","2020-10-21","18:00:00",""
"7241137","6.9632","0.0003","10.2625","0.0005","14.6539","0.0007","90","","97.751","0.002","90","","1037.6","0.08","100.01","","100.01","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 Cl2 F6 Fe N4 O3 S -","- C13 H17 Cl2 F6 Fe N4 O3 S -","- C26 H34 Cl4 F12 Fe2 N8 O6 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0337","0.03","","","0.0761","0.0786","","","","","","1.0543","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241138","6.9779","0.0004","10.3829","0.0006","13.9933","0.0008","90","","97.673","0.002","90","","1004.75","0.1","100.01","","100.01","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C12 H17 Cl3 F3 Fe N4 O3 S -","- C12 H17 Cl3 F3 Fe N4 O3 S -","- C24 H34 Cl6 F6 Fe2 N8 O6 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0267","0.0261","","","0.0608","0.0613","","","","","","1.0497","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241145","5.06676","0.00018","18.5492","0.0006","7.3779","0.0003","90","","109.713","0.004","90","","652.77","0.04","294.05","0.1","294.05","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C4 H13 F2 Fe2 N2 O8 P2 -","- C4 H13 F2 Fe2 N2 O8 P2 -","- C8 H26 F4 Fe4 N4 O16 P4 -","2","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0474","0.0441","","","0.1178","0.1204","","","","","","1.102","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241362","8.1423","0.0006","13.7726","0.001","10.2776","0.0007","90","","92.209","0.003","90","","1151.68","0.14","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H10 B11 Br6 S4 -","- C7 H10 B11 Br6 S4 -","- C14 H20 B22 Br12 S8 -","2","0.5","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0689","0.0371","","","0.0735","0.0821","","","","","","1.007","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241559","6.9406","0.0006","20.4866","0.0016","8.7114","0.0007","90","","100.802","0.002","90","","1216.72","0.17","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C32 H24 F16 I10 N2 -","2","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0311","0.0262","","","0.0525","0.0553","","","","","","1.105","","","","has coordinates,has disorder","261615","2021-02-04","23:00:56",""
"7241641","4.9595","0.0015","7.185","0.003","7.507","0.003","90","","91.847","0.01","90","","267.37","0.17","103","2","103","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H24 B4 N4 -","- C2 H24 B4 N4 -","- C2 H24 B4 N4 -","1","0.25","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0574","0.0479","","","0.123","0.1288","","","","","","1.093","","","","has coordinates","261616","2021-02-04","23:01:06",""
"7242022","9.7304","0.0016","7.1624","0.0008","11.7858","0.0017","90","","111.815","0.018","90","","762.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 I3 N4 -","- C7 H15 Ag2 I3 N4 -","- C14 H30 Ag4 I6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0451","0.0361","","","0.0937","0.1013","","","","","","1.035","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242023","9.6337","0.0015","6.8617","0.0007","11.3159","0.0016","90","","113.127","0.017","90","","687.91","0.18","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 Br3 N4 O0 -","- C7 H16 Ag2 Br3 N4 -","- C14 H32 Ag4 Br6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0693","0.0589","","","0.2069","0.2294","","","","","","1.036","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242120","7.8843","0.0004","14.5796","0.0006","11.56","0.0004","90","","97.065","0.003","90","","1318.73","0.1","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H34 Br I2 N -","- C23 H34 Br I2 N -","- C46 H68 Br2 I4 N2 -","2","0.5","","González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago","Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene.","Physical chemistry chemical physics : PCCP","2021","23","5","3531","3542","10.1039/d0cp05917j","","","0.71073","MoKα","","0.0712","0.048","","","0.0937","0.107","","","","","","1.089","","","","has coordinates","262727","2021-03-05","02:27:31",""
"7242418","13.011","0.007","10.48","0.006","13.837","0.008","90","","112.332","0.008","90","","1745.2","1.7","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H36 Li5 N5 O5 -","- C38 H35.124 Li5 N5 O5 -","- C76 H70.248 Li10 N10 O10 -","2","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.2977","0.1148","","","0.2025","0.276","","","","","","1.04","","","","has coordinates,has disorder","263110","2021-03-18","05:32:23",""
"7242583","7.7605","0.0002","7.3336","0.0001","8.9393","0.0002","90","","115.115","0.003","90","","460.66","0.02","293","2","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(1.5H2O)","","- Ca H3 Ni2 O10.5 Se3 -","- Ca H3 Ni2 O10.5 Se3 -","- Ca2 H6 Ni4 O21 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0645","0.0652","","","","","","1.098","","","","has coordinates,has disorder","265938","2021-06-05","18:06:52",""
"7242584","7.8568","0.0004","7.3734","0.0003","8.9697","0.0006","90","","114.275","0.007","90","","473.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(2H2O)","","- Ca H4 Ni2 O11 Se3 -","- Ca H3.999 Ni2 O10.999 Se3 -","- Ca2 H7.998 Ni4 O21.998 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0531","0.0358","","","0.0652","0.0701","","","","","","1.033","","","","has coordinates,has disorder","265938","2021-06-05","18:06:53",""
"7242663","6.8987","0.0004","21.2912","0.0012","8.6833","0.0005","90","","102.19","0.0018","90","","1246.66","0.12","295","2","295.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Fe5 Mo7 O28 Rb -","- Fe5 Mo7 O28 Rb -","- Fe10 Mo14 O56 Rb2 -","2","0.5","","Chimitova, O. D.; Bazarov, B. G.; Bazarova, J. G.; Atuchin, V. V.; Azmi, R.; Sarapulova, A. E.; Mikhailova, D.; Balachandran, G.; Fiedler, A.; Geckle, U.; Prots, Yu.; Komarek, A. C.; Gavrilova, T. A.; Prosvirin, I. P.; Yang, Yi; Lin, Zheshuai; Knapp, M.; Ehrenberg, H.","The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion","CrystEngComm","2021","23","18","3297","3307","10.1039/D1CE00118C","","","0.71073","MoKα","","0.0199","0.0166","","","0.0336","0.0345","","","","","","1.086","","","","has coordinates","265986","2021-06-05","18:19:09",""
"7242846","5.626","0.003","18.512","0.005","8.957","0.004","90","","91.09","0.02","90","","932.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Cl5 N6 O Sb -","- C10 H18 Cl5 N6 O Sb -","- C20 H36 Cl10 N12 O2 Sb2 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0196","0.018","","","0.0438","0.0443","","","","","","1.124","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242849","5.586","0.003","18.595","0.006","8.97","0.004","90","","90.66","0.02","90","","931.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Bi Cl5 N6 O -","- C10 H18 Bi Cl5 N6 O -","- C20 H36 Bi2 Cl10 N12 O2 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0233","0.0226","","","0.0557","0.0561","","","","","","1.065","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7243023","4.205","0.0001","15.1349","0.0004","11.8849","0.0004","90","","92.547","0.003","90","","755.63","0.04","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl4 N3 Pt -","- C12 H9 Cl4 N3 Pt -","- C24 H18 Cl8 N6 Pt2 -","2","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0635","0.0605","","","0.1702","0.1723","","","","","","1.093","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243240","7.2371","0.0001","6.8632","0.0001","16.2164","0.0003","90","","101.478","0.001","90","","789.35","0.02","294","2","294","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C40 H32 N8 -","2","0.5","","Ramle, Abdul Qaiyum; Fei, Chee Chin; Tiekink, Edward R. T.; Basirun, Wan Jefrey","Indoleninyl-substituted pyrimido[1,2-b]indazoles via a facile condensation reaction","RSC Advances","2021","11","40","24647","24651","10.1039/D1RA04372B","","","1.54184","CuKα","","0.0717","0.0687","","","0.1938","0.1978","","","","","","1.067","","","","has coordinates","267615","2021-07-17","05:39:51",""
"7243904","7.9191","0.0004","21.1203","0.0007","8.6696","0.0004","90","","111.691","0.005","90","","1347.35","0.11","299.44","0.18","299.44","0.18","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs3 Ga2 H I8 O25 -","- Cs3 Ga2 H I8 O25 -","- Cs6 Ga4 H2 I16 O50 -","2","0.5","","Wang, Dandan; Jiang, Xiaoqing; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","A new I3O93− group constructed from IO3− and IO55− anion units in Cs3[Ga2O(I3O9)(IO3)4(HIO3)]","CrystEngComm","2022","24","1","77","82","10.1039/D1CE01234G","","","0.71073","MoKα","","0.0369","0.0343","","","0.0765","0.0775","","","","","","1.234","","","","has coordinates,has disorder","272606","2022-02-04","19:18:57",""
"7244587","3.897","0.003","12.568","0.006","9.03","0.004","90","","97.33","0.02","90","","438.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Br2 Cu N2 S -","- C6 H4 Br2 Cu N2 S -","- C12 H8 Br4 Cu2 N4 S2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0624","0.0563","","","0.1552","0.1582","","","","","","1.257","","","","has coordinates","273625","2022-03-10","23:47:11",""
"7244588","3.677","0.0015","12.682","0.003","8.707","0.002","90","","98.51","0.02","90","","401.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 Se -","- C6 H4 Cl2 Cu N2 Se -","- C12 H8 Cl4 Cu2 N4 Se2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.087","0.057","","","0.1333","0.147","","","","","","1.052","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244589","3.713","0.003","12.553","0.006","8.767","0.004","90","","97.73","0.02","90","","404.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 S -","- C6 H4 Cl2 Cu N2 S -","- C12 H8 Cl4 Cu2 N4 S2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0648","0.0445","","","0.0985","0.1071","","","","","","1.077","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244670","6.3843","0.0011","7.1053","0.0012","15.724","0.003","90","","100.963","0.007","90","","700.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-3-((4-bromophenyl)amino)-1-phenylbut-2-en-1-one","","- C16 H14 Br N O -","- C16 H14 Br0.5 N O -","- C32 H28 Br N2 O2 -","2","0.5","","Goh, Jeffrey; Ong, Seng Kheong; Tan, Yan Sheng; Loh, Teck-Peng","Catalyst-free C–N bond formation under biocompatible reaction conditions","Green Chemistry","2022","24","8","3321","3325","10.1039/D2GC00027J","","x-ray","0.71073","MoKα","","0.0415","0.0298","","","0.0621","0.066","","","","","","1.042","","","","has coordinates,has disorder","274982","2022-05-05","20:36:23",""
"7244925","4.9143","0.0002","54.6015","0.0016","5.7336","0.0002","90","","95.395","0.002","90","","1531.67","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H14 Ag0.5 N3 S13 -","- C27 H14 Ag0.5 N3 S13 -","- C54 H28 Ag N6 S26 -","2","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1087","0.0751","","","0.1779","0.1912","","","","","","1.073","","","","has coordinates,has disorder","275418","2022-05-13","22:35:49",""
"7245409","6.4442","0.0001","35.1206","0.0006","8.0868","0.0002","90","","99.84","0.002","90","","1803.31","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C40 H32 K N8 O6 -","- C40 H32 K N8 O6 -","- C80 H64 K2 N16 O12 -","2","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.0379","0.0332","","","0.0884","0.0908","","","","","","1.04","","","","has coordinates,has disorder","277563","2022-09-01","22:32:18",""
"7245665","11.9688","0.0017","40.521","0.006","15.23","0.002","90","","111.591","0.004","90","","6868.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H50 Cl32 Fe10 N24 O0.45 -","- C72 H50 Cl32 Fe10 N24 O0.452 -","- C144 H100 Cl64 Fe20 N48 O0.904 -","2","0.5","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1646","0.0946","","","0.207","0.2252","","","","","","1.003","","","","has coordinates,has disorder","278542","2022-10-12","01:29:58",""
"7245980","6.4885","0.0006","14.7897","0.0014","13.388","0.0012","90","","97.518","0.003","90","","1273.7","0.2","273","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.54178","CuKα","","0.0655","0.0524","","","0.1632","0.1773","","","","","","1.3","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245981","6.445","","14.509","","13.037","","90","","97.96","","90","","1207.35","","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.45567","neutrons","","0.0422","0.0422","","","0.1011","0.1011","","","","","","1.293","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245982","6.4131","0.0001","14.5111","0.0002","13.5715","0.0002","90","","90.415","0.001","90","","1262.95","0.03","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Cl4 Fe N O1.5 -","- C7 H13 Cl4 Fe N O1.5 -","- C28 H52 Cl16 Fe4 N4 O6 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","0.71073","MoKα","","0.0238","0.0213","","","0.0467","0.0481","","","","","","1.051","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7246148","8.8004","0.0004","18.927","0.0006","11.5824","0.0004","90","","105.01","0.004","90","","1863.4","0.13","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H27 N3 O6 -","- C43 H27 N3 O6 -","- C86 H54 N6 O12 -","2","0.5","","Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki","Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.","Physical chemistry chemical physics : PCCP","2023","25","7","5459","5467","10.1039/d2cp06026d","","x-ray","0.71073","MoKα","","0.0688","0.0558","","","0.1585","0.1709","","","","","","1.032","","","","has coordinates,has disorder","281604","2023-03-04","18:46:26",""
"7246530","5.9862","0.0001","26.6117","0.0003","11.3914","0.0002","90","","101.668","0.001","90","","1777.18","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 Eu2 N2 O16 -","- C19 H20 Eu2 N2 O16 -","- C38 H40 Eu4 N4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0542","0.0525","","","0.1587","0.1596","","","","","","1.235","","","","has coordinates","283203","2023-05-05","01:20:43",""
"7246531","6.0396","0.0001","26.7827","0.0003","11.483","0.0002","90","","101.974","0.001","90","","1817.04","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H26 N4 O16 Pr2 -","- C23 H26 N4 O16 Pr2 -","- C46 H52 N8 O32 Pr4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0502","0.0487","","","0.1411","0.142","","","","","","1.216","","","","has coordinates","283203","2023-05-05","01:20:45",""
"7246532","6.0356","0.0001","26.7275","0.0004","11.4561","0.0002","90","","101.874","0.002","90","","1808.51","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 Nd2 O16 -","- C19 H20 N2 Nd2 O16 -","- C38 H40 N4 Nd4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.062","0.061","","","0.167","0.1674","","","","","","1.376","","","","has coordinates","283203","2023-05-05","01:20:55",""
"7246533","5.9578","0.0001","26.4881","0.0005","11.3463","0.0002","90","","101.548","0.002","90","","1754.32","0.06","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Tb2 -","- C19 H20 N2 O16 Tb2 -","- C38 H40 N4 O32 Tb4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0817","0.0776","","","0.1947","0.1966","","","","","","1.274","","","","has coordinates","283203","2023-05-05","01:20:59",""
"7246534","6.00619","0.00014","26.6761","0.0007","11.4263","0.0003","90","","101.705","0.003","90","","1792.67","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Sm2 -","- C19 H20 N2 O16 Sm2 -","- C38 H40 N4 O32 Sm4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.059","0.0573","","","0.1183","0.119","","","","","","1.0235","","","","has coordinates","283203","2023-05-05","01:21:10",""
"7246630","4.0174","0.0005","24.741","0.0018","13.0728","0.001","90","","95.086","0.005","90","","1294.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C44 H24 F4 N8 S12 Se4 -","2","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.0743","0.049","","","0.0968","0.1047","","","","","","1.041","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246833","10.2654","0.0002","7.0454","0.0001","12.4963","0.0003","90","","92.802","0.002","90","","902.7","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-7-bromo-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C22 H16 Br N S -","- C22 H16 Br N S -","- C44 H32 Br2 N2 S2 -","2","0.5","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0303","0.028","","","0.0782","0.0805","","","","","","1.007","","","","has coordinates,has disorder","286146","2023-09-05","19:58:00",""
"7246834","10.1263","0.0003","6.9258","0.0002","12.6138","0.0004","90","","92.516","0.003","90","","883.79","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-7-chloro-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C22 H17 Cl N S -","- C22 H16 Cl N S -","- C44 H32 Cl2 N2 S2 -","2","0.5","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0375","0.0342","","","0.1099","0.1159","","","","","","0.916","","","","has coordinates,has disorder","286146","2023-09-05","19:58:00",""
"7246893","12.8121","0.0019","21.163","0.003","15.335","0.002","90","","113.952","0.002","90","","3799.9","0.9","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C78 H79 Cl1.5 N13 O16.7 Zn3 -","- C78 H79 Cl1.5 N13 O16.702 Zn3 -","- C156 H158 Cl3 N26 O33.404 Zn6 -","2","0.5","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0808","0.0585","","","0.1562","0.1703","","","","","","1.023","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246910","6.3646","0.0004","6.3135","0.0003","8.8975","0.0004","90","","110.334","0.006","90","","335.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","sodium vanadyl phosphate carbonate","trisodium vanadyl phosphate carbonate","","- C Na3 O8 P V -","- C Na3 O8 P V -","- C2 Na6 O16 P2 V2 -","2","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergey; Volkov, Anatoly; Dimitrova, Olga","Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure","CrystEngComm","2023","25","28","4024","4032","10.1039/D3CE00323J","","","0.71073","MoKα","","0.0214","0.0204","","","0.0464","0.0468","","","","","","1.266","","","","has coordinates","286091","2023-09-05","19:36:15",""
"7247544","7.5415","0.0002","6.9154","0.0002","10.0942","0.0002","90","","95.474","0.002","90","","524.04","0.02","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,1-dimethyl-7-fluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H10 B F O3 Si -","- C9 H10 B F O3 Si -","- C18 H20 B2 F2 O6 Si2 -","2","0.5","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0374","0.0333","","","0.0925","0.0961","","","","","","1.078","","","","has coordinates","288806","2024-01-06","08:04:58",""
"7247572","7.2546","0.0001","28.912","0.0004","9.1504","0.0001","90","","92.873","0.001","90","","1916.84","0.04","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","triphenylphospine sulfide pyrazine bis(1,3,5-trifluro-2,4,6-triiodobenzene)","","- C34 H19 F6 I6 N2 P S -","- C34 H19 F6 I6 N2 P S -","- C68 H38 F12 I12 N4 P2 S2 -","2","0.5","","Kumar, Lavanya; Dash, Sibananda G.; Leko, Katarina; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails","Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies.","Physical chemistry chemical physics : PCCP","2023","25","42","28576","28580","10.1039/d3cp04358d","","x-ray","0.71073","MoKα","","0.0243","0.0207","","","0.0471","0.0486","","","","","","1.1528","","","","has coordinates","287422","2023-11-06","08:29:05",""
"7247948","6.2573","0.0006","13.544","0.0013","7.2073","0.0009","90","","92.963","0.011","90","","609.99","0.11","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N12 O -","- C6 H16 N12 O -","- C12 H32 N24 O2 -","2","0.5","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","1.54184","CuKα","","0.0718","0.0637","","","0.1799","0.2043","","","","","","1.056","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7248024","11.732","0.002","23.592","0.005","14.243","0.003","90","","111.45","0.03","90","","3669.1","1.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C70 H66 N16 O24 Zn3 -","- C70 H66 N15.999 O23.997 Zn3 -","- C140 H132 N31.998 O47.994 Zn6 -","2","0.5","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1247","0.0766","","","0.2322","0.2678","","","","","","1.072","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248178","12.7611","0.0003","18.5038","0.0003","14.1018","0.0003","90","","100.643","0.002","90","","3272.56","0.12","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C41.5 H21.5 Cl0.25 N5 O5.5 -","- C40.5 H19.5 N4.5 O3 -","- C162 H78 N18 O12 -","4","1","","Yan, Qiao-Wei; Wu, Ling-Wei; Liu, Zhen-Wu; Chen, Feng; Ling, Chen; Liu, Hai-Yang; Xiao, Xin-Yan; Si, Li-Ping","First application of antimony(iii) corrole for electrocatalytic hydrogen evolution","Green Chemistry","2024","26","8","4574","4581","10.1039/D3GC04884E","","x-ray","1.54184","CuKα","","0.0602","0.0457","","","0.1254","0.1341","","","","","","1.06","","","","has coordinates","291659","2024-05-05","03:36:35",""
"7248214","9.0027","0.0003","7.527","0.0002","9.0306","0.0004","90","","114.109","0.005","90","","558.56","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H12 Cl3 Fe N2 O6 -","- C2 H12 Cl3 Fe N2 O6 -","- C4 H24 Cl6 Fe2 N4 O12 -","2","0.5","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0831","0.079","","","","0.2251","","","","","","1.149","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248226","19.081","0.003","31.525","0.006","20.06","0.002","90","","104.324","0.015","90","","11692","3","180","0.1","180","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(water)-di-copper(ii)]4, dimethylformamide solvate","","- C155.9 H101.1 Cu8 N1.3 O41.3 S32 -","- C155.48 H99.5 Cu8 N1.16 O41.16 S32 -","- C310.96 H199 Cu16 N2.32 O82.32 S64 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1717","0.146","","","0.3817","0.4082","","","","","","1.43","","","","has coordinates,has disorder","291597","2024-05-05","02:19:09",""
"7248544","9.4024","0.0003","6.9264","0.0002","19.9477","0.0006","90","","100.097","0.001","90","","1278.97","0.07","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H17 I4 N5 O3 S -","- C17 H17 I4 N5 O3 S -","- C34 H34 I8 N10 O6 S2 -","2","0.5","","Mohammed Hashim, K. K.; Manoj, E.","Aminoguanidine-based bioactive proligand as AIEE probe for anticancer and anticovid studies","RSC Advances","2024","14","19","13654","13668","10.1039/D4RA00554F","","","0.71073","MoKα","","0.0569","0.0394","","","0.0819","0.0888","","","","","","1.107","","","","has coordinates","291363","2024-04-26","01:05:40",""
"7248574","5.6785","0.0003","7.7011","0.0003","6.8171","0.0004","90","","109.673","0.006","90","","280.72","0.03","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F3 H Mn Na2 O4 P -","- F3 H Mn Na2 O4 P -","- F6 H2 Mn2 Na4 O8 P2 -","2","0.5","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","","","","","10.1039/D4CE00180J","","x-ray","0.71073","MoKα","","0.0273","0.025","","","0.058","0.0593","","","","","","1.121","","","","has coordinates","291463","2024-05-02","22:37:11",""
"7700191","9.4163","0.0004","21.8732","0.0012","10.9475","0.0005","90","","91.411","0.004","90","","2254.11","0.19","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H35 Cu3 N9 O8.2 S2 -","- C43 H35 Cu3 N9 O8.195 S2 -","- C86 H70 Cu6 N18 O16.39 S4 -","2","0.5","","Simões, Tatiana R G; Marinho, Maria Vanda; Pasán, Jorge; Stumpf, Humberto O.; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10260","10274","10.1039/c9dt01277j","","x-ray","0.71073","MoKα","","0.0694","0.0487","","","0.1021","0.1111","","","","","","1.075","","","","has coordinates,has disorder","223878","2020-10-21","18:00:00",""
"7700578","8.0227","0.0016","17.867","0.004","10.601","0.002","90","","109.214","0.002","90","","1434.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H25 F12 N5 O P2 Ru -","- C23 H25 F12 N5 O P2 Ru -","- C46 H50 F24 N10 O2 P4 Ru2 -","2","0.5","","Kotani, Hiroaki; Shimomura, Hinatsu; Horimoto, Momoka; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Yanagisawa, Sachiko; Kawahara-Nakagawa, Yuka; Kubo, Minoru; Kojima, Takahiko","Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13154","13161","10.1039/c9dt02734c","","","0.71073","MoKa","","0.0234","0.0223","","","0.0571","0.0578","","","","","","1.059","","","","has coordinates,has disorder","224489","2020-10-21","18:00:00",""
"7700629","4.07919","0.00003","4.06374","0.00003","12.67649","0.00007","90","","90","","90","","210.135","0.002","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In La O S2 -","- In La O S2 -","- In2 La2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0789","0.0781","","0.0801","0.08","","","","5.67","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700630","3.99156","0.00007","3.98626","0.00008","12.709","0.0001","90","","90","","90","","202.218","0.006","450","","450","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ce In O S2 -","- Ce In O S2 -","- Ce2 In2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0787","0.0786","","0.0945","0.0945","","","","8.54","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700631","3.97576","0.00007","3.98177","0.00007","12.67618","0.00011","90","","90","","90","","200.671","0.005","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ce In O S2 -","- Ce In O S2 -","- Ce2 In2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0695","0.0694","","0.094","0.094","","","","10.14","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700632","3.98582","0.00006","3.98","0.00007","12.69515","0.0001","90","","90","","90","","201.39","0.005","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ce In O S2 -","- Ce In O S2 -","- Ce2 In2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0654","0.0652","","0.0877","0.0877","","","","8.98","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700633","4.07503","0.00003","4.05771","0.00003","12.66236","0.00009","90","","90","","90","","209.376","0.003","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In La O S2 -","- In La O S2 -","- In2 La2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.1721","0.1325","","0.1394","0.1357","","","","6.47","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700634","3.992338","0.000016","3.998947","0.000017","12.70004","0.00004","90","","90","","90","","202.758","0.0013","146","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In O Pr S2 -","- In O Pr S2 -","- In2 O2 Pr2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0557","0.0557","","0.0686","0.0686","","","","7.67","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700635","4.07111","0.00002","4.08273","0.00003","12.69815","0.00006","90","","90","","90","","211.059","0.002","460","","460","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In La O S2 -","- In La O S2 -","- In2 La2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.1688","0.1111","","0.0979","0.0912","","","","5.2","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700636","3.996654","0.000015","4.001852","0.000016","12.72153","0.00004","90","","90","","90","","203.468","0.0013","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In O Pr S2 -","- In O Pr S2 -","- In2 O2 Pr2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0577","0.0574","","0.0615","0.0613","","","","7.06","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700637","4.00067","0.00003","4.00209","0.00003","12.75783","0.00003","90","","90","","90","","204.266","0.002","450","","450","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In O Pr S2 -","- In O Pr S2 -","- In2 O2 Pr2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.1151","0.0618","","0.0706","0.0621","","","","6.56","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7701165","7.036","0.0005","5.8774","0.0005","12.6598","0.0009","90","","90.168","0.007","90","","523.52","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 K N2 O7 V -","- C18 K N2 O7 V -","- C36 K2 N4 O14 V2 -","2","0.5","","Chen, Fanghui; Gao, Zhiguo; You, Chaoqun; Wu, Hongshuai; Li, Yaojia; He, Xiaotong; Zhang, Yuchen; Zhang, Yaan; Sun, Baiwang","Three peroxidovanadium(v) compounds mediated by transition metal cations for enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15160","15169","10.1039/c9dt03378e","","x-ray","0.71073","MoKα","","0.1561","0.1476","","","0.3932","0.3987","","","","","","1.2","","","","has coordinates","224263","2020-10-21","18:00:00",""
"7701447","11.1411","0.0012","12.4837","0.0013","13.0934","0.0014","90","","115.066","0.003","90","","1649.6","0.3","100","","100","","","","","","","","see text","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 Au Cl F12 N8 P2 -","- C16 H16 Au Cl F12 N8 P2 -","- C32 H32 Au2 Cl2 F24 N16 P4 -","2","0.5","","Bauer, Elisabeth B.; Bernd, Marco A.; Schütz, Max; Oberkofler, Jens; Pöthig, Alexander; Reich, Robert M.; Kühn, Fritz E","Synthesis, characterization, and biological studies of multidentate gold(i) and gold(iii) NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03183a","","x-ray","0.71073","MoKα","","0.0691","0.0488","","","0.0976","0.104","","","","","","1.031","","","","has coordinates","220347","2020-10-21","18:00:00",""
"7701572","5.57318","0.00011","8.12797","0.00017","5.32299","0.0001","90","","94.6275","0.0011","90","","240.338","0.008","221","","221","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Potassium_octahydridoborate","","","- B3 H8 K -","- B3 H8 K -","- B6 H16 K2 -","2","0.5","","Grinderslev, Jakob B.; Møller, Kasper T; Yan, Yigang; Chen, Xi-Meng; Li, Yongtao; Li, Hai-Wen; Zhou, Wei; Skibsted, Jørgen; Chen, Xuenian; Jensen, Torben R.","Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8872","8881","10.1039/c9dt00742c","powder diffraction","","","synchrotron","","","","","","","","","6.2618","27.8968","","","","","","","has coordinates","223303","2020-10-21","18:00:00",""
"7701639","7.8885","0.0019","9.447","0.003","8.269","0.002","90","","96.572","0.006","90","","612.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H17 Cl3 Mn N2 O -","- C7 H17 Cl3 Mn N2 O -","- C14 H34 Cl6 Mn2 N4 O2 -","2","0.5","","Hay, Moya A.; Sarkar, Arup; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15480","15486","10.1039/c9dt02187f","","","0.71075","MoKα","","0.0636","0.0445","","","0.0981","0.1059","","","","","","1.132","","","","has coordinates","223324","2020-10-21","18:00:00",""
"7701766","8.3415","0.0001","16.5817","0.0003","9.2895","0.0001","90","","112.39","0.002","90","","1188.02","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","iPr-POCOP-Ni-Ph","","- C24 H36 Ni O2 P2 -","- C24 H36 Ni O2 P2 -","- C48 H72 Ni2 O4 P4 -","2","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","1.54184","CuKα","","0.0408","0.0397","","","0.1024","0.1037","","","","","","1.104","","","","has coordinates","223354","2020-10-21","18:00:00",""
"7701768","8.4272","0.0003","16.7958","0.0004","9.4851","0.0003","90","","112.887","0.004","90","","1236.84","0.08","295.02","0.1","295.02","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H36 O2 P2 Pt -","- C24 H36 O2 P2 Pt -","- C48 H72 O4 P4 Pt2 -","2","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","0.71073","MoKα","","0.0386","0.0292","","","0.0539","0.0581","","","","","","1.061","","","","has coordinates","223354","2020-10-21","18:00:00",""
"7702037","13.1219","0.0002","27.5544","0.0006","13.981","0.0004","90","","95.626","0.002","90","","5030.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C64.2 H105.3 Cl6 Cu9 N17.1 P9 -","- C62.2 H105.3 Cl5.75 Cu9 N16.1 P9 -","- C124.4 H210.6 Cl11.5 Cu18 N32.2 P18 -","2","0.5","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.0641","0.0466","","","0.1293","0.1425","","","","","","1.03","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702344","4.4626","0.0005","6.3014","0.0007","10.0629","0.0011","90","","96.1","0.002","90","","281.37","0.05","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","ethylisonitrile gold chloride","Chloro(ethylisonitrile)gold(I)","","- C3 H5 Au Cl N -","- C3 H5 Au Cl N -","- C6 H10 Au2 Cl2 N2 -","2","0.5","","Mathieson, Trevor J.; Langdon, Alan G.; Milestone, Neil B.; Nicholson, Brian K.","Preparation and structural characterisation of isocyanide gold(I) nitrates, [Au(NO3)(CNR)] (R = Et, But or C6H3Me2-2,6); new auriophilic motifs †","Journal of the Chemical Society, Dalton Transactions","1999","","2","201","","10.1039/a806399k","","","0.71073","MoKα","","0.0562","0.0549","","","0.1377","0.1385","","","","","","1.055","","","","has coordinates","243834","2020-10-21","18:00:00",""
"7702361","12.9094","0.0002","20.842","0.0006","15.118","0.0002","90","","100.302","0.002","90","","4002.04","0.14","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H114 N7 O55 V W12 -","- C28 H114 N7 O55 V W12 -","- C56 H228 N14 O110 V2 W24 -","2","0.5","","Khan, M. Ishaque; Cevik, Sabri; Hayashi, Randy","First 12-tungstovanadate Keggin compound: synthesis and crystal structure of [Me4N]7[VW12O40]·15H2O","Journal of the Chemical Society, Dalton Transactions","1999","","10","1651","","10.1039/a808760a","","","0.71073","MoKα","","0.0591","0.0439","","0.1271","0.1157","","","","1.066","1.103","1.103","","","","","has coordinates","243839","2020-10-21","18:00:00",""
"7702369","31.65","0.006","22.55","0.005","37.84","0.008","90","","97.92","0.03","90","","26749","10","203","2","203","2","","","","","","","pentane solution","5","P 1 21/m 1","-P 2yb","11","Copper-selenide-nanocluster","The CIF file for the structure of Nr. 6","","- C216 H540 Cu140 P36 Se70 -","- C137 Cu140.02 P36 Se70 -","- C274 Cu280.04 P72 Se140 -","2","0.5","","Zhu, Nianyong; Fenske, Dieter","Novel Cu‒Se clusters with Se‒layer structures: [Cu32Se7(SenBu)18(PiPr3)6], [Cu50Se20(SetBu)10(PiPr3)10], [Cu73Se35(SePh)3(PiPr3)21], [Cu140Se70(PEt3)34] and [Cu140Se70(PEt3)36]","Journal of the Chemical Society, Dalton Transactions","1999","","7","1067","","10.1039/a900021f","","","0.71073","MoKa","","0.2611","0.0867","","0.3236","0.2196","","","","1.092","1.44","1.44","","","","","has coordinates","243841","2020-10-21","18:00:00",""
"7702383","9.4965","0.0011","10.995","0.001","9.9785","0.0015","90","","111.222","0.017","90","","971.2","0.2","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H29 Cl Co N4 O5 S -","- C11 H29 Cl Co N4 O5 S -","- C22 H58 Cl2 Co2 N8 O10 S2 -","2","0.5","","Pleus, Rainer J.; Waden, Harald; Saak, Wolfgang; Haase, Detlev; Pohl, Siegfried","Preparation of the first sulfur-containing cobalt and nickel complexes stabilised by the macrocyclic cyclam ligand; observation of S‒H bond activation","Journal of the Chemical Society, Dalton Transactions","1999","","15","2601","","10.1039/a902015b","","","0.71073","MoKα","","0.0899","0.0564","","0.1606","0.1239","","","","1.24","1.202","1.202","","","","","has coordinates","243846","2020-10-21","18:00:00",""
"7702765","10.0512","0.0006","14.8092","0.0009","10.8528","0.0007","90","","91.481","0.001","90","","1614.9","0.17","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H28 Cl2 P2 Pd Se4 W -","- C28 H28 Cl2 P2 Pd Se4 W -","- C56 H56 Cl4 P4 Pd2 Se8 W2 -","2","0.5","","Zhang, Qian-Feng; Song, Yinling; Wong, Wai-Yeung; Leung, Wa-Hung; Xin, Xinquan","Syntheses, molecular structures and optical nonlinearities of heteroselenometallic W‒Se‒Pd compounds containing bidentate phosphine ligands","Journal of the Chemical Society, Dalton Transactions","2002","","9","1963","","10.1039/b110583n","","","0.71073","MoKα","","0.0563","0.0534","","","0.1517","0.1549","","","","","","1.059","","","","has coordinates","244008","2020-10-21","18:00:00",""
"7702854","7.679","0.0015","10.583","0.002","10.653","0.002","90","","107.95","0.03","90","","823.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H20 Ga I2 N2 -","- C10 H20 Ga I2 N2 -","- C20 H40 Ga2 I4 N4 -","2","0.5","","Baker, Robert J.; Farley, Robert D.; Jones, Cameron; Kloth, Marc; Murphy, Damien M.","The reactivity of diazabutadienes toward low oxidation state Group 13 iodides and the synthesis of a new gallium(i) carbene analogue","Journal of the Chemical Society, Dalton Transactions","2002","","20","3844","","10.1039/b206605j","","","0.71073","MoKα","","0.0495","0.046","","","0.1252","0.1281","","","","","","1.091","","","","has coordinates","244051","2020-10-21","18:00:00",""
"7702898","8.787","0.004","10.151","0.004","14.97","0.006","90","","100.635","0.005","90","","1312.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","bis(acetonitrile)-1,4,7,10,13,16-hexaoxacyclooctadecane-iodolutetium(III) diiodide","","- C16 H30 I3 Lu N2 O6 -","- C16 H30 I3 Lu N2 O6 -","- C32 H60 I6 Lu2 N4 O12 -","2","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0955","0.0868","","","0.2166","0.2256","","","","","","1.037","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7703223","6.7025","0.0007","9.3292","0.001","13.3822","0.0014","90","","92.85","0.002","90","","835.74","0.15","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H22 B10 O -","- C12 H22 B10 O -","- C24 H44 B20 O2 -","2","0.5","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0587","0.0494","","","0.1399","0.1472","","","","","","1.076","","","","has coordinates,has disorder","248937","2020-10-21","18:00:00",""
"7703233","9.9082","0.0004","21.1364","0.0009","14.5809","0.0006","90","","91.647","0.002","90","","3052.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C35 H49 N2 Re -","- C35 H48.5 N2 Re -","- C140 H194 N8 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0514","0.046","","","0.1051","0.1092","","","","","","1.214","","","","has coordinates","246604","2020-10-21","18:00:00",""
"7703403","18.3691","0.0005","18.389","0.0006","22.2929","0.0006","90","","108.358","0.0012","90","","7147.1","0.4","150","2","149.98","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C24 H36 As2 Cl6 N36 O76 Ru6 W21 -","- C24 H36 As2 Cl6 N36 O76 Ru6 W21 -","- C48 H72 As4 Cl12 N72 O152 Ru12 W42 -","2","0.5","","Li, Huafeng; He, Peipei; Wan, Rong; Zou, Yan; Zhao, Xue; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Trinuclear ruthenium core-containing polyoxometalate-based hybrids: preparation, characterization and catalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2895","2904","10.1039/c9dt04616j","","","0.71073","MoKα","","0.0983","0.0735","","","0.1913","0.2175","","","","","","1.025","","","","has coordinates","248978","2020-10-21","18:00:00",""
"7703600","10.2274","0.0003","9.4057","0.0003","16.1265","0.0005","90","","96.507","0.002","90","","1541.31","0.08","180","2","180","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C20 H46 Cl Cu N4 O3 P2 Se2 -","- C20 H46 Cl Cu N4 O3 P2 Se2 -","- C40 H92 Cl2 Cu2 N8 O6 P4 Se4 -","2","0.5","","Plajer, Alex J.; Lee, Sanha; Bond, Andrew D.; Goodman, Jonathan M.; Wright, Dominic S.","Charge-assisted phosph(v)azane anion receptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3403","3407","10.1039/d0dt00489h","","","1.54178","CuKα","","0.0511","0.0425","","","0.1","0.1069","","","","","","1.082","","","","has coordinates,has disorder","250299","2020-10-21","18:00:00",""
"7703627","9.8382","0.0006","22.024","0.0015","13.1803","0.0009","90","","105.926","0.002","90","","2746.2","0.3","147","2","147.53","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H20 Co1.5 N2.75 O7.5 S1.5 -","- C24 H20 Co1.5 N2.75 O7.5 S1.5 -","- C96 H80 Co6 N11 O30 S6 -","4","1","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.0462","0.0358","","","0.0844","0.0886","","","","","","1.053","","","","has coordinates,has disorder","250287","2020-10-21","18:00:00",""
"7704232","9.6134","0.0005","11.6759","0.0006","10.3557","0.0005","90","","98.442","0.002","90","","1149.78","0.1","100","","99.97","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 As N7 P2 -","- C16 H36 As N7 P2 -","- C32 H72 As2 N14 P4 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0265","0.0252","","","0.0683","0.0689","","","","","","1.09","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704236","9.5405","0.0007","11.8694","0.0008","10.3274","0.0007","90","","96.573","0.002","90","","1161.79","0.14","150","","149.99","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 I N4 P3 -","- C16 H36 I N4 P3 -","- C32 H72 I2 N8 P6 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0225","0.0192","","","0.0435","0.0452","","","","","","1.0401","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7704237","9.5274","0.0008","11.9897","0.0009","10.3478","0.0007","90","","96.533","0.003","90","","1174.36","0.15","150","","149.99","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 As I N4 P2 -","- C16 H36 As I N4 P2 -","- C32 H72 As2 I2 N8 P4 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0294","0.0225","","","0.0463","0.0493","","","","","","1.0219","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7704442","6.9136","0.0002","35.5239","0.0012","7.4234","0.0002","90","","96.837","0.003","90","","1810.21","0.09","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H6 F10 N2 O2 -","- C20 H6 F10 N2 O2 -","- C80 H24 F40 N8 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","","0.0389","0.0338","","","0.1031","0.1058","","","","","","1.091","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704599","12.766","0.003","25.504","0.005","14.908","0.003","90","","105","0.03","90","","4688.4","1.8","163","2","163.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Al13 H42 Mo10 O89 P V2 -","- Al13 H42 Mo10 O89 P V2 -","- Al26 H84 Mo20 O178 P2 V4 -","2","0.5","","Yu, Jialin; Gao, Qi; Zhang, Lijuan; Zhou, Yunshan; Zhong, Yuxu; Yin, Jianbo; Zhou, Yuanyuan; Tao, Fangsheng; Wang, Yong'an","A dual-function all-inorganic intercluster salt comprising the polycation ε-[Al<sub>13</sub>O<sub>4</sub>(OH)<sub>24</sub>(H<sub>2</sub>O)<sub>12</sub>]<sup>7+</sup> and polyanion α-[PMo<sub>10</sub>V<sub>2</sub>O<sub>40</sub>]<sup>5-</sup> for detoxifying sulfur mustard and soman.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8122","8135","10.1039/d0dt01307b","","","0.71073","MoKα","","0.1155","0.105","","","0.2625","0.2712","","","","","","1.121","","","","has coordinates,has disorder","253853","2020-10-21","18:00:00",""
"7704683","9.554","0.004","13.698","0.006","15.262","0.007","90","","90.387","0.007","90","","1997.3","1.5","190","2","190","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","1","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.1673","0.0802","","","0.1853","0.2247","","","","","","1.114","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7704688","13.2411","0.0004","15.4304","0.0003","13.5367","0.0003","90","","115.709","0.003","90","","2491.97","0.12","183","0.1","183","0.1","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C46 H64 Bi F6 N4 O Os P2 Sb -","- C46 H64 Bi F6 N4 O Os P2 Sb -","- C92 H128 Bi2 F12 N8 O2 Os2 P4 Sb2 -","2","0.5","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0412","0.0332","","","0.0797","0.0831","","","","","","1.038","","","","has coordinates,has disorder","254992","2020-10-21","18:00:00",""
"7704753","8.5762","0.0002","9.184","0.0002","10.5385","0.0002","90","","101.241","0.0014","90","","814.13","0.03","293","","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cl6 Cs Cu4 H4 N O6 Te2 -","- Cl6 Cs Cu4 H4 N O6 Te2 -","- Cl12 Cs2 Cu8 H8 N2 O12 Te4 -","2","0.5","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.0779","0.0398","","","0.0528","0.0585","","","","1.56","1.56","1.36","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704755","24.6407","0.0012","9.2132","0.0004","10.6107","0.0005","90","","97.244","0.003","90","","2389.61","0.19","293","","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cl16.5 Cu12 H8.5 N2 O18.5 Rb3 Te6 -","- Cl16.5 Cu12 H8.5 N2 O18.5 Rb3 Te6 -","- Cl33 Cu24 H17 N4 O37 Rb6 Te12 -","2","0.5","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.0991","0.0452","","","0.0544","0.0666","","","","1.27","1.27","1.14","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704906","11.6076","0.0001","17.5323","0.0001","12.4069","0.0001","90","","91.72","0.001","90","","2523.76","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H72 Ca N2 O Sn -","- C55 H72 Ca N2 O Sn -","- C110 H144 Ca2 N4 O2 Sn2 -","2","0.5","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0348","0.0339","","","0.0898","0.0909","","","","","","1.047","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7705091","20.9093","0.0017","23.0191","0.0007","23.6904","0.001","90","","99.755","0.005","90","","11237.6","1.1","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C212.67 H266.02 Ca F20 N18 Na2 O17 Ti8 -","- C198.756 H237.268 Ca F20 N11 Na2 O17 Ti8 -","- C397.512 H474.536 Ca2 F40 N22 Na4 O34 Ti16 -","2","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","0.71073","MoKα","","0.2808","0.1153","","","0.3046","0.3987","","","","","","0.958","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705187","10.2114","0.0004","17.4996","0.0009","10.215","0.0006","90","","110.721","0.002","90","","1707.3","0.15","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H48 Cl2 Fe N2 O -","- C34 H48 Cl2 Fe N2 O -","- C68 H96 Cl4 Fe2 N4 O2 -","2","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.0704","0.0437","","","0.0927","0.1038","","","","","","1.021","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705319","9.545","0.0004","14.1726","0.0006","10.4229","0.0004","90","","103.274","0.002","90","","1372.31","0.1","142","2","142","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Si5 -","- C21 H46 Si5 -","- C42 H92 Si10 -","2","0.5","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0349","0.0269","","","0.0744","0.079","","","","","","1.052","","","","has coordinates","258861","2020-11-06","12:22:32",""
"7705344","8.9361","0.0004","24.696","0.0015","10.4597","0.0004","90","","110.946","0.004","90","","2155.77","0.19","180","","180","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H24 Cu2 N6 O10 S2 -","- C34 H24 Cu2 N6 O10 S2 -","- C68 H48 Cu4 N12 O20 S4 -","2","0.5","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","x-ray","0.71073","MoKα","","0.1039","0.088","","","0.2652","0.2797","","","","","","1.068","","","","has coordinates,has disorder","257502","2020-10-21","18:00:00",""
"7705434","11.4564","0.0008","27.544","0.002","11.5369","0.0007","90","","101.261","0.006","90","","3570.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H38 Dy3 N5 O21 -","- C65 H38 Dy3 N5 O21 -","- C130 H76 Dy6 N10 O42 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.1159","0.1016","","","0.2222","0.2296","","","","","","1.192","","","","has coordinates,has disorder","258843","2020-11-06","12:16:52",""
"7705435","11.513","0.003","27.717","0.006","11.592","0.003","90","","102.164","0.007","90","","3616","1.5","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H40.85 Gd3 N5 O22.5 -","- C65 H40.944 Gd3 N5 O22.5 -","- C130 H81.888 Gd6 N10 O45 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0532","0.0429","","","0.1031","0.1086","","","","","","1.05","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7705436","11.4772","0.0005","27.6587","0.0013","11.5564","0.0005","90","","101.93","0.001","90","","3589.3","0.3","296","","296","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H43 N5 O23 Tb3 -","- C65 H43 N5 O23 Tb3 -","- C130 H86 N10 O46 Tb6 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0316","0.0266","","","0.0667","0.0692","","","","","","1.079","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7705437","11.52","0.002","27.7","0.005","11.6","0.002","90","","102.121","0.006","90","","3619.1","1.1","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H44 Eu3 N5 O23.5 -","- C65 H44 Eu3 N5 O23.5 -","- C130 H88 Eu6 N10 O47 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0316","0.0292","","","0.0757","0.0769","","","","","","1.137","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7706109","9.245","0.0005","7.4965","0.0004","10.4442","0.0006","90","","115.069","0.003","90","","655.65","0.06","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 I N2 P -","- C9 H18 I N2 P -","- C18 H36 I2 N4 P2 -","2","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.021","0.0194","","","0.0483","0.0496","","","","","","1.188","","","","has coordinates","259993","2020-12-19","03:23:29",""
"7706191","7.80925","0.00005","18.68619","0.00009","9.50696","0.00005","90","","93.6941","0.0005","90","","1384.42","0.013","173","0.1","173","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H29 Cl2 Fe N5 O4 S2 -","- C23 H29 Cl2 Fe N5 O4 S2 -","- C46 H58 Cl4 Fe2 N10 O8 S4 -","2","0.5","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","1.54184","CuKα","","0.0341","0.0334","","","0.089","0.0896","","","","","","1.047","","","","has coordinates","260107","2020-12-23","03:04:57",""
"7706854","7.2135","0.0003","13.7539","0.0004","8.1944","0.0003","90","","113.053","0.004","90","","748.07","0.05","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4-chloro-10H-5,10-[1,2]benzenoacridophosphine","4-chloro-10H-5,10-[1,2]benzenoacridophosphine","","- C19 H12 Cl P -","- C19 H12.0004 Cl P -","- C38 H24.0008 Cl2 P2 -","2","0.5","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0852","0.0664","","","0.2007","0.208","","","","","","1.08","","","","has coordinates,has disorder","266063","2021-06-05","18:47:29",""
"7706856","8.1914","0.0002","13.7899","0.0004","8.6284","0.0002","90","","99.365","0.003","90","","961.66","0.04","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(5R/S,10S/R)-2-(tert-butyl)-6-chloro-10H-5,10-[1,2]benzenoacridophosphine","(5R/S,10S/R)-2-(tert-butyl)-6-chloro-10H-5,10-[1,2]benzenoacridophosphine","","- C23 H20 Cl P -","- C23 H20 Cl P -","- C46 H40 Cl2 P2 -","2","0.5","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0583","0.0517","","","0.153","0.1553","","","","","","1.146","","","","has coordinates,has disorder","266063","2021-06-05","18:47:29",""
"7707139","6.2711","0.0018","7.864","0.002","6.861","0.0019","90","","90.118","0.004","90","","338.36","0.16","300","2","300","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ga Li5 S4 -","- Ga Li5 S4 -","- Ga2 Li10 S8 -","2","0.5","","Balijapelly, Srikanth; Sandineni, Prashanth; Adhikary, Amit; Gerasimchuk, Nikolay N.; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Ternary alkali ion thiogallates, A<sub>5</sub>GaS<sub>4</sub> (A = Li and Na), with isolated tetrahedral building units and their ionic conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7372","7379","10.1039/d1dt00766a","","","0.71073","MoKα","","0.0501","0.0426","","","0.1085","0.1148","","","","","","1.089","","","","has coordinates","266111","2021-06-05","19:02:56",""
"7707632","13.1832","0.0011","12.1023","0.0009","14.4602","0.0013","90","","92.807","0.004","90","","2304.3","0.3","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H52 Cl4 Fe2 N12 O2 -","- C32 H52 Cl4 Fe2 N12 O2 -","- C64 H104 Cl8 Fe4 N24 O4 -","2","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0483","0.0404","","","0.1141","0.1175","","","","","","1.124","","","","has coordinates,has disorder","268722","2021-09-06","10:58:31",""
"7707696","9.248","0.0003","41.0134","0.0012","12.2659","0.0005","90","","103.376","0.004","90","","4526.2","0.3","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C98 H106 Co2 F12 N8 O10 P2 -","- C86 H82 Co2 F12 N8 O6 P2 -","- C172 H164 Co4 F24 N16 O12 P4 -","2","0.5","","Suenaga, Yusaku; Mibu, Takuto; Okubo, Takashi; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Sugimoto, Kunihisa","Dinuclear cobalt complexes with a redox active biphenyl bridging ligand [Co<sub>2</sub>(BP)(tqa)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> (H<sub>4</sub>BP = 4,4'-bis(3-<i>tert</i>-butyl-1,2-catechol), tqa = tris(2-quinolylmethyl)amine): structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9833","9841","10.1039/d1dt00995h","","x-ray","0.71073","MoKα","","0.0972","0.0636","","","0.1717","0.186","","","","","","1.009","","","","has coordinates,has disorder","268716","2021-09-06","10:55:52",""
"7707697","9.111","0.0004","41.1206","0.001","12.135","0.0003","90","","102.59","0.003","90","","4437.1","0.3","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C90 H102 Co2 F12 N8 O10 P2 -","- C78 H74 Co2 F12 N8 O6 P2 -","- C156 H148 Co4 F24 N16 O12 P4 -","2","0.5","","Suenaga, Yusaku; Mibu, Takuto; Okubo, Takashi; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Sugimoto, Kunihisa","Dinuclear cobalt complexes with a redox active biphenyl bridging ligand [Co<sub>2</sub>(BP)(tqa)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> (H<sub>4</sub>BP = 4,4'-bis(3-<i>tert</i>-butyl-1,2-catechol), tqa = tris(2-quinolylmethyl)amine): structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9833","9841","10.1039/d1dt00995h","","","0.71073","MoKα","","0.1069","0.0939","","","0.2344","0.241","","","","","","1.128","","","","has coordinates,has disorder","268716","2021-09-06","10:55:52",""
"7707778","8.523","0.003","19.29","0.007","8.998","0.003","90","","105.63","0.02","90","","1424.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H32 Al Br N2 -","- C33 H32 Al Br N2 -","- C66 H64 Al2 Br2 N4 -","2","0.5","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0376","0.034","","","0.0994","0.1018","","","","","","1.114","","","","has coordinates","268777","2021-09-06","11:17:24",""
"7707800","14.8537","0.0007","22.6867","0.0011","20.3744","0.0012","90","","96.555","0.006","90","","6820.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C106 H98 N18 O32 Zn4 -","- C100 H72 N16 O24 Zn4 -","- C200 H144 N32 O48 Zn8 -","2","0.5","","Pei, Wen-Yuan; Lu, Bing-Bing; Yang, Jin; Wang, Tianqi; Ma, Jian-Fang","Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9942","9948","10.1039/d1dt01139a","","","0.71073","MoKα","","0.1264","0.0593","","","0.1446","0.1803","","","","","","0.938","","","","has coordinates","268720","2021-09-06","10:57:16",""
"7708071","10.912","0.008","8.556","0.007","14.164","0.011","90","","110.91","0.014","90","","1235.3","1.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H24 Br5 In N2 O -","- C16 H26 Br5 In N2 O -","- C32 H52 Br10 In2 N4 O2 -","2","0.5","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Li, Min","Two In-based organic‒inorganic hybrid compounds with reversible phase transition derived from the order‒disorder changes of cations or anions","Dalton Transactions","2021","","","","","10.1039/D1DT01935J","","","0.71073","MoKα","","0.1548","0.0921","","","0.2229","0.2602","","","","","","1.009","","","","has coordinates,has disorder","268111","2021-08-17","23:04:46",""
"7708103","8.6584","0.0002","18.3753","0.0004","12.2711","0.0003","90","","109.481","0.002","90","","1840.57","0.08","103","2","103","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C39.88 H33.75 Au Cl1.75 I O P2 -","- C39.874 H33.748 Au Cl1.748 I O P2 -","- C79.748 H67.496 Au2 Cl3.496 I2 O2 P4 -","2","0.5","","Deak, Andrea; Jobbágy, Csaba; Demeter, Attila; Čelko, Ladislav; Cihlář, Jaroslav; Szabó, Pál Tamás; Abranyi-Balogh, Peter; Crawford, Deborah E.; Virieux, David; Colacino, Evelina","Mechanochemical synthesis of mononuclear gold(I) halide complexes of diphosphine ligands with tuneable luminescent properties","Dalton Transactions","2021","","","","","10.1039/D1DT01751A","","","0.71075","MoKα","","0.0332","0.0328","","","0.0834","0.0837","","","","","","1.064","","","","has coordinates,has disorder","268175","2021-08-23","23:00:04",""
"7708120","8.6205","0.0006","18.6744","0.0013","12.8381","0.0009","90","","90.8178","0.001","90","","2066.5","0.2","90","2","90.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C42 H50 Mo O7 Sn -","- C42 H50 Mo O7 Sn -","- C84 H100 Mo2 O14 Sn2 -","2","0.5","","Zhu, Qihao; Fettinger, James C.; Power, Philip P.","Hydrostannylation of carbon dioxide by a hydridostannylene molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12555","12562","10.1039/d1dt02473f","","","0.71073","MoKα","","0.0313","0.0248","","","0.0607","0.0643","","","","","","1.078","","","","has coordinates","269719","2021-10-06","15:39:21",""
"7708271","16.8015","0.0019","21.405","0.003","26.184","0.003","90","","91.5032","0.0018","90","","9413","2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C102 H156 N18 O18 Pd3 Si12 -","- C102 H156 N18.004 O18.012 Pd3 Si12 -","- C204 H312 N36.008 O36.024 Pd6 Si24 -","2","0.5","","Lim, Sangwoo; Moon, Heehun; Kim, Dongwon; Jung, Ok-Sang","Trimetallic coordination cage formation for nitrate encapsulation: transformation of kinetic into thermodynamic products","Dalton Transactions","2021","","","","","10.1039/D1DT02691G","","","0.71073","MoKα","","0.1443","0.0833","","","0.2232","0.2964","","","","","","1.11","","","","has coordinates,has disorder","269093","2021-09-10","22:57:24",""
"7708272","16.849","0.0018","20.917","0.002","27.059","0.003","90","","90.357","0.003","90","","9536.2","1.7","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C102 H156 Cl5 N13 O23 Pd3 Si12 -","- C102 H156 Cl5.102 N13 O23.408 Pd3 Si12 -","- C204 H312 Cl10.204 N26 O46.816 Pd6 Si24 -","2","0.5","","Lim, Sangwoo; Moon, Heehun; Kim, Dongwon; Jung, Ok-Sang","Trimetallic coordination cage formation for nitrate encapsulation: transformation of kinetic into thermodynamic products","Dalton Transactions","2021","","","","","10.1039/D1DT02691G","","","0.71073","MoKα","","0.2607","0.1739","","","0.3798","0.4468","","","","","","1.094","","","","has coordinates,has disorder","269093","2021-09-10","22:57:25",""
"7708531","10.1215","0.0005","20.6659","0.0011","10.3207","0.0007","90","","93.249","0.002","90","","2155.3","0.2","173","","173","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H21 Cu N5 O7 -","- C19 H21 Cu N5 O7 -","- C76 H84 Cu4 N20 O28 -","4","1","","Zhu, Ke; Fan, Ruiqing; Zhang, Jian; Jiang, Xin; Jia, Wenwen; Wang, Bowen; Lu, Haoyang; Wu, Jingkun; Wang, Ping; Yang, Yulin","Dual-emission 3D supramolecular framework hydrogel beads: highly selective detection of antibiotics and mechanism research","Dalton Transactions","2021","","","","","10.1039/D1DT02733F","","","0.71073","MoKα","","0.0702","0.0474","","","0.1067","0.1212","","","","","","1.026","","","","has coordinates,has disorder","269857","2021-10-07","22:55:59",""
"7708692","5.4046","0.0001","15.3969","0.0004","10.8565","0.0003","90","","93.166","0.002","90","","902.03","0.04","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl6 Mn N12 -","- C6 H16 Cl6 Mn N12 -","- C12 H32 Cl12 Mn2 N24 -","2","0.5","","Zhang, Yue; Chen, Dian; Jin, Kai-Hang; Zang, Shuang-Quan; Wang, Qing-Lun","Room-temperature phosphorescence of manganese-based metal halides","Dalton Transactions","2021","","","","","10.1039/D1DT03206B","","x-ray","1.54184","CuKα","","0.0611","0.0576","","","0.1676","0.1694","","","","","","1.137","","","","has coordinates","270276","2021-11-03","23:58:52",""
"7708812","9.197","0.003","16.209","0.004","10.954","0.003","90","","90.286","0.004","90","","1632.9","0.8","300","2","300.13","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C27 H43 F6 Fe2 N2 P S2 -","- C27 H43 F6 Fe2 N2 P S2 -","- C54 H86 F12 Fe4 N4 P2 S4 -","2","0.5","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.0368","0.0312","","","0.0728","0.0767","","","","","","1.126","","","","has coordinates,has disorder","270628","2021-11-12","23:56:02",""
"7709186","11.6718","0.001","10.5613","0.0009","12.8825","0.001","90","","107.638","0.004","90","","1513.4","0.2","289","","289","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H26 Au B F9 N3 -","- C30 H26 Au B F9 N3 -","- C60 H52 Au2 B2 F18 N6 -","2","0.5","","Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Fluorinated tris(pyridyl)borate ligand support on coinage metals.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1308","1312","10.1039/d1dt04136c","","x-ray","0.71073","MoKα","K-L~3~","0.0377","0.0292","","","0.0805","0.0854","","","","","","1.066","","","","has coordinates,has disorder","272688","2022-02-04","19:45:37",""
"7709290","9.0298","0.0008","20.455","0.002","9.5707","0.0009","90","","117.7","0.005","90","","1565.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H41 Cl4 Ga N2 -","- C30 H41 Cl4 Ga N2 -","- C60 H82 Cl8 Ga2 N4 -","2","0.5","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.0381","0.0305","","","0.0756","0.0795","","","","","","1.046","","","","has coordinates","272670","2022-02-04","19:39:09",""
"7709324","5.8784","0.0002","7.8378","0.0004","14.814","0.0006","90","","88.834","0.003","90","","682.39","0.05","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H3 Cl4 N Se W -","- C2 H3 Cl4 N Se W -","- C4 H6 Cl8 N2 Se2 W2 -","2","0.5","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","0.71073","MoKα","K-L~3~","0.0459","0.039","","","0.1029","0.1089","","","","","","1.059","","","","has coordinates,has disorder","272142","2022-01-19","23:52:29",""
"7709455","6.8025","0.0007","11.5092","0.0009","8.8989","0.0009","90","","101.704","0.004","90","","682.22","0.11","273","2","273.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B2 F N O11 Pb6 -","- B2 F N O11 Pb6 -","- B4 F2 N2 O22 Pb12 -","2","0.5","","Bai, Shuo; Yang, Daqing; Zhang, Bingbing; Li, Ling; Wang, Ying","Two Lead Borate-nitrates with Anion-Centered [OPb4] Tetrahedra and Two Types of π-Conjugated Planar Units Showing Large Birefringence","Dalton Transactions","2022","","","","","10.1039/D2DT00183G","","","0.71073","MoKα","","0.0286","0.0231","","","0.0553","0.057","","","","","","1.091","","","","has coordinates","272904","2022-02-10","23:47:34",""
"7709489","14.1453","0.0018","25.9558","0.0014","14.178","0.002","90","","112.466","0.015","90","","4810.4","1.1","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C56 H96 N4 O48 Ti17 -","- C56 H95.5 N4 O48 Ti17 -","- C112 H191 N8 O96 Ti34 -","2","0.5","","Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate","Dalton Transactions","2022","","","","","10.1039/D1DT04170C","","x-ray","1.54184","CuKα","","0.1319","0.1015","","","0.287","0.3121","","","","","","1.021","","","","has coordinates,has disorder","272980","2022-02-15","23:53:37",""
"7709495","9.8098","0.0002","17.0515","0.0002","10.038","0.0002","90","","110.109","0.002","90","","1576.72","0.05","100.49","0.1","100.49","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H34 Br4 Cl2 N2 Se -","- C27 H34 Br4 Cl2 N2 Se -","- C54 H68 Br8 Cl4 N4 Se2 -","2","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0353","0.032","","","0.0747","0.0764","","","","","","1.102","","","","has coordinates","272982","2022-02-15","23:59:43",""
"7709502","9.7651","0.0002","16.9691","0.0003","10.1288","0.0002","90","","110.132","0.002","90","","1575.85","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H40 Br4 N2 S -","- C29 H40 Br4 N2 S -","- C58 H80 Br8 N4 S2 -","2","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.042","0.0355","","","0.088","0.0915","","","","","","1.059","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709515","10.2704","0.0002","16.8187","0.0003","10.5634","0.0002","90","","110.816","0.002","90","","1705.56","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H40 I4 N2 Se -","- C29 H40 I4 N2 Se -","- C58 H80 I8 N4 Se2 -","2","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0542","0.0451","","","0.1197","0.1263","","","","","","1.084","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7710075","7.9019","0.0002","22.3765","0.0006","9.7921","0.0004","90","","102.071","0.003","90","","1693.13","0.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H30 Cl4 N4 Pd S -","- C39 H30 Cl4 N4 Pd S -","- C78 H60 Cl8 N8 Pd2 S2 -","2","0.5","","Sahoo, Sipra Sucharita; Sahoo, Sameeta; Panda, Pradeepta K.","Monothia [22]pentaphyrin(2.0.1.1.0): a core-modified isomer of sapphyrin","Dalton Transactions","2022","","","","","10.1039/D2DT00698G","","","0.71073","MoKα","","0.0548","0.0432","","","0.1044","0.1124","","","","","","1.081","","","","has coordinates","274590","2022-04-19","23:17:29",""
"7710523","13.7123","0.0007","34.3657","0.0015","19.9008","0.001","90","","92.736","0.002","90","","9367.2","0.8","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C20 H121 Cu5 Eu N20 Nb18 O84 Te6 -","- C20 H80 Cu5 Eu N20 Nb18 O84 Te6 -","- C40 H160 Cu10 Eu2 N40 Nb36 O168 Te12 -","2","0.5","","Lai, Rongda; Feng, Hui-Lin; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","A Lanthanide-tellurium heterometal encapsulated sandwich-type heteropolyoxoniobate with a 3D pcu-type hydrogen-bonding network","Dalton Transactions","2022","","","","","10.1039/D2DT01472F","","","0.71073","MoKα","","0.061","0.0541","","","0.1372","0.1415","","","","","","1.064","","","","has coordinates","276139","2022-06-21","22:52:39",""
"7710818","8.0658","0.0003","14.005","0.0006","9.0433","0.0003","90","","99.903","0.003","90","","1006.32","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H22 B Cl3 N6 W -","- C15 H22 B Cl3 N6 W -","- C30 H44 B2 Cl6 N12 W2 -","2","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","0.71073","MoKα","","0.0372","0.0329","","","0.0657","0.0684","","","","","","1.05","","","","has coordinates,has disorder","276970","2022-07-27","22:54:10",""
"7710861","8.502","0.002","4.4946","0.001","14.526","0.003","90","","99.675","0.008","90","","547.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Br I3 Pb3 S -","- Br I3 Pb3 S -","- Br2 I6 Pb6 S2 -","2","0.5","","Yan, Mei; Tang, Ru-Ling; Zhou, Wenfeng; Liu, Wen-Long; Guo, Sheng-Ping","Pb3SBrI3: The first Pb-based chalcohalide with multiple halogens features unique two-dimensional structure composed of diverse Pb-centered polyhedra","Dalton Transactions","2022","","","","","10.1039/D2DT02038F","","","0.71073","MoKα","","0.0497","0.041","","","0.1157","0.1208","","","","","","1.071","","","","has coordinates","277004","2022-07-29","22:50:47",""
"7710968","10.3251","0.0004","37.2721","0.001","12.1542","0.0004","90","","114.541","0.004","90","","4254.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C48 H55 Cl2 N2 Pb -","- C48 H55 Cl2 N2 Pb -","- C192 H220 Cl8 N8 Pb4 -","4","1","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","0.71073","MoKα","","0.0375","0.0319","","","0.0548","0.0559","","","","","","1.201","","","","has coordinates","277242","2022-08-13","22:46:48",""
"7711020","10.0187","0.0012","15.8538","0.0019","19.991","0.002","90","","101.629","0.0018","90","","3110.1","0.6","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H39 I N Si U -","- C23 H39 I N Si U -","- C92 H156 I4 N4 Si4 U4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Identification of the U(v) complex (C5Me5)2UVI(NSiMe3) in the reaction of (C5Me5)2UIIII(THF) with N3SiMe3","Dalton Transactions","2022","","","","","10.1039/D2DT01926D","","","0.71073","MoKα","","0.0911","0.067","","","0.1616","0.1737","","","","","","1.075","","","","has coordinates,has disorder","277314","2022-08-18","22:56:18",""
"7711030","4.2535","0.0002","6.8733","0.0003","6.3242","0.0003","90","","106.316","0.005","90","","177.446","0.015","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- B2 O5 Th -","- B2 O5 Th -","- B4 O10 Th2 -","2","0.5","","Hao, Yucheng; Murphy, Gabriel L.; Kegler, Philip; Li, Yan; Kowalski, Piotr M.; Blouin, Simon; Zhang, Yang; Wang, Shuao; Robben, Lars; Gesing, Thorsten M.; Alekseev, Evgeny V.","Understanding the role of flux, pressure and temperature on polymorphism in ThB2O5","Dalton Transactions","2022","","","","","10.1039/D2DT01049F","","","0.71073","MoKα","","0.0291","0.026","","","0.0517","0.0546","","","","","","1.036","","","","has coordinates","277331","2022-08-19","23:03:57",""
"7711297","9.5873","0.0011","22.042","0.003","9.7222","0.0012","90","","97.63","0.003","90","","2036.3","0.4","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H34 Bi2 Cl12 N3 -","- C24 H33 Bi2 Cl12 N3 -","- C48 H66 Bi4 Cl24 N6 -","2","0.5","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.1205","0.0652","","","0.1319","0.1524","","","","","","1.075","","","","has coordinates","277973","2022-09-18","23:10:55",""
"7711299","9.6132","0.001","22.15","0.003","9.7574","0.0012","90","","97.628","0.003","90","","2059.3","0.4","320","2","320","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H0 Bi2 Cl12 N3 -","- C24 H33 Bi2 Cl12 N3 -","- C48 H66 Bi4 Cl24 N6 -","2","0.5","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.0952","0.0377","","","0.0729","0.1","","","","","","0.973","","","","has coordinates,has disorder","277973","2022-09-18","23:10:56",""
"7711308","13.7207","0.0016","6.8784","0.0006","28.022","0.002","90","","102.154","0.009","90","","2585.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H15 Cl6.12 F2 N3 Pt -","- C21 H15 Cl6.13 F2 N3 Pt -","- C84 H60 Cl24.52 F8 N12 Pt4 -","4","1","","Hattori, Shingo; Nakano, Takumi; Kobayashi, Nanako; Konno, Yuri; Nishibori, Eiji; Galica, Tomasz; Shinozaki, Kazuteru","Luminescence color change of [3,4-difluoro-2,6-bis(5-methyl-2-pyridyl)phenyl-κ3N,C1,μ']cyanidoplatinum(II) by aggregation","Dalton Transactions","2022","","","","","10.1039/D2DT02360A","","","0.24782","synchrotron","","0.1237","0.0797","","","0.1864","0.2085","","","","","","1.134","","","","has coordinates,has disorder","278015","2022-09-20","22:52:10",""
"7711679","6.545","0.003","8.233","0.004","7.184","0.003","90","","90.149","0.006","90","","387.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Al Li5 Se4 -","- Al Li5 Se4 -","- Al2 Li10 Se8 -","2","0.5","","Sundaramoorthy, Santhoshkumar; Chernatynskiy, Aleksandr V.; Gerasimchuk, Nikolay; Choudhury, Amitava","Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga), Aliovalent Doping and Their Ionic Conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02843C","","","0.71073","MoKα","","0.0517","0.0474","","","0.123","0.1256","","","","","","1.138","","","","has coordinates","278917","2022-11-02","23:50:37",""
"7711681","6.5565","0.0016","8.253","0.002","7.1966","0.0017","90","","90.293","0.003","90","","389.41","0.16","298","2","298","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ga Li5 Se4 -","- Ga Li5 Se4 -","- Ga2 Li10 Se8 -","2","0.5","","Sundaramoorthy, Santhoshkumar; Chernatynskiy, Aleksandr V.; Gerasimchuk, Nikolay; Choudhury, Amitava","Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga), Aliovalent Doping and Their Ionic Conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02843C","","","0.71073","MoKα","","0.0416","0.0364","","","0.0941","0.0961","","","","","","1.093","","","","has coordinates","278917","2022-11-02","23:50:38",""
"7711682","6.58","0.004","8.28","0.005","7.238","0.004","90","","90.134","0.008","90","","394.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Al0.82 Li4.66 Se4 Sn0.22 -","- Al0.82 Li4.66 Se4 Sn0.22 -","- Al1.64 Li9.32 Se8 Sn0.44 -","2","0.5","","Sundaramoorthy, Santhoshkumar; Chernatynskiy, Aleksandr V.; Gerasimchuk, Nikolay; Choudhury, Amitava","Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga), Aliovalent Doping and Their Ionic Conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02843C","","","0.71073","MoKα","","0.0418","0.0373","","","0.1035","0.1061","","","","","","1.108","","","","has coordinates","278917","2022-11-02","23:50:38",""
"7711764","10.429","0.0003","19.2372","0.0005","13.3968","0.0004","90","","106.711","0.003","90","","2574.22","0.13","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C53 H73 Cl4 N3 W -","- C53 H73 Cl4 N3 W -","- C106 H146 Cl8 N6 W2 -","2","0.5","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","0.71073","MoKα","","0.0404","0.0303","","","0.068","0.0728","","","","","","1.03","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7712021","5.4887","0.0004","27.154","0.002","6.7732","0.0005","90","","107.148","0.003","90","","964.6","0.12","273","2","273","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cd6 K O24 P7 -","- Cd6 K O24 P7 -","- Cd12 K2 O48 P14 -","2","0.5","","Cai, Bingjie; Dou, Danyang; Zhang, Bingbing; Li, Ling; Wang, Ying","Cadmium phosphates with two types of fundamental building units and a wide ultraviolet transparency window.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","862","865","10.1039/d2dt03974e","","x-ray","0.71073","MoKα","","0.0367","0.033","","","0.0677","0.0691","","","","","","1.268","","","","has coordinates","283267","2023-05-05","01:53:29",""
"7712660","7.401","0.0002","3.6508","0.00006","9.9938","0.0003","90","","108.874","0.0018","90","","255.51","0.011","293","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Fe1.392 Nb Te3 -","- Fe1.392 Nb Te3 -","- Fe2.784 Nb2 Te6 -","2","0.5","","Verchenko, Valeriy; Stepanova, Anna V.; Bogach, Alexey; Kirsanova, Maria; Shevelkov, Andrei V.","Cleavable crystals, crystal structure, and magnetic properties of the NbFe1+xTe3 layered van der Waals telluride","Dalton Transactions","2023","","","","","10.1039/D3DT00588G","powder diffraction","x-ray","1.5406","","","0.0466","0.0463","","0.0652","0.0652","","","","2.6","","","","","","","has coordinates","281990","2023-03-22","23:59:27",""
"7712661","6.4872","0.0013","14.511","0.003","21.904","0.004","90","","93.41","0.03","90","","2058.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H18 Be Br2 P2 -","- C6 H18 Be Br2 P2 -","- C36 H108 Be6 Br12 P12 -","6","1.5","","Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph","Ligand exchange at tetra-coordinated beryllium centres","Dalton Transactions","2023","","","","","10.1039/D3DT00713H","","","1.54186","CuKα","","0.0483","0.0336","","","0.0894","0.0949","","","","","","0.986","","","","has coordinates","282029","2023-03-23","23:56:03",""
"7712994","8.4716","0.0006","5.5703","0.0003","8.4791","0.0009","90","","112.383","0.01","90","","369.98","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C H6 Br3 Cu2 N -","- C H6 Br3 Cu2 N -","- C2 H12 Br6 Cu4 N2 -","2","0.5","","Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.","Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00687e","","","0.71073","MoKα","","0.0731","0.069","","","0.1558","0.159","","","","","","1.046","","","","has coordinates","283661","2023-05-10","22:44:58",""
"7713053","5.60323","0.00004","27.89861","0.00022","6.97976","0.00005","90","","106.594","0.0005","90","","1045.65","0.014","298","2","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Barium Lutetium Germanate","Barium hexalutetium heptagermanate","","- Ba Ge7 Lu6 O24 -","- Ba Ge7 Lu6 O24 -","- Ba2 Ge14 Lu12 O48 -","2","0.5","","Lipina, Olga A.; Surat, Ludmila L.; Chufarov, Alexander Yu; Baklanova, Inna V.; Enyashin, Andrey N.; Melkozerova, Marina A.; Tyutyunnik, Alexander P.; Zubkov, Vladimir G.","Structural, electronic and optical properties of BaRE<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>) (RE = Tm, Yb, Lu) compounds and BaYb<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>):Tm<sup>3+</sup> and BaLu<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>):Yb<sup>3+</sup>,Tm<sup>3+</sup> phosphors: potential applications in temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00269a","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.01962","","1.45","","","","","","","has coordinates","283836","2023-05-17","22:57:20",""
"7713054","5.63967","0.00004","27.85377","0.00025","7.01259","0.00006","90","","106.344","0.0005","90","","1057.06","0.015","298","2","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Barium Thulium Germanate","Barium hexathulium heptagermanate","","- Ba Ge7 O24 Tm6 -","- Ba Ge7 O24 Tm6 -","- Ba2 Ge14 O48 Tm12 -","2","0.5","","Lipina, Olga A.; Surat, Ludmila L.; Chufarov, Alexander Yu; Baklanova, Inna V.; Enyashin, Andrey N.; Melkozerova, Marina A.; Tyutyunnik, Alexander P.; Zubkov, Vladimir G.","Structural, electronic and optical properties of BaRE<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>) (RE = Tm, Yb, Lu) compounds and BaYb<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>):Tm<sup>3+</sup> and BaLu<sub>6</sub>(Ge<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(Ge<sub>3</sub>O<sub>10</sub>):Yb<sup>3+</sup>,Tm<sup>3+</sup> phosphors: potential applications in temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00269a","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02172","","1.73","","","","","","","has coordinates","283837","2023-05-17","22:57:46",""
"7713797","12.7547","0.0014","14.6796","0.0014","13.0011","0.0014","90","","111.209","0.013","90","","2269.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H36 Cl2 N3 O2 Pd -","- C45 H36 Cl2 N3 O2 Pd -","- C90 H72 Cl4 N6 O4 Pd2 -","2","0.5","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","0.71073","MoKα","","0.2005","0.0903","","","0.2009","0.2334","","","","","","1.027","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713798","12.6631","0.0005","14.5864","0.0005","12.9729","0.0005","90","","111.182","0.004","90","","2234.32","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H37 Cl2 N3 O Pd -","- C45 H37 Cl2 N3 O Pd -","- C90 H74 Cl4 N6 O2 Pd2 -","2","0.5","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","0.71073","MoKα","","0.0519","0.0412","","","0.1059","0.1106","","","","","","1.045","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713799","12.6017","0.0003","14.4323","0.0003","12.8068","0.0004","90","","112.594","0.003","90","","2150.43","0.11","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C46 H37 Cl N3 O2 Rh -","- C46 H37 Cl N3 O2 Rh -","- C92 H74 Cl2 N6 O4 Rh2 -","2","0.5","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","1.54184","CuKα","","0.0452","0.0392","","","0.0978","0.0999","","","","","","1.073","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7714288","13.7971","0.0013","18.7106","0.0017","14.0466","0.0013","90","","119.007","0.002","90","","3171.3","0.5","300","","300","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C72 H69 Ce O6 Si3 -","- C72 H69 Ce O6 Si3 -","- C144 H138 Ce2 O12 Si6 -","2","0.5","","Guo, Hui; Hong, Dongjing; Cui, Peng","Tripodal tris(siloxide) Ligand Supported Trivalent Rare-earth Metal Complexes and Redox Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02519E","","x-ray","0.71073","MoKα","","0.0598","0.0467","","","0.1154","0.1241","","","","","","1.07","","","","has coordinates,has disorder","287082","2023-10-23","22:59:10",""
"7714329","9.492","0.0019","12.889","0.003","25.031","0.005","90","","90","0.03","90","","3062.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H10 I4 N2 Pb0.5 Sn0.5 -","- C6 H10 I4 N2 Pb0.5 Sn0.5 -","- C48 H80 I32 N16 Pb4 Sn4 -","8","2","","Jung, Mi Hee","Diammonium Spacer-Induced Stable Zigzag Type 2D Dion-Jacobson Lead/Tin-Based Perovskite Solar Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02041J","","","0.7","synchrotron","","0.1403","0.098","","","0.3041","0.3412","","","","","","1.821","","","","has coordinates","287161","2023-10-28","22:49:12",""
"7714459","13.442","0.004","21.256","0.006","17.195","0.005","90","","108.984","0.011","90","","4646","2","281","","281","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C57.5 H79.5 Dy4 N8.5 O40.5 -","- C32 H20 Dy4 O32 -","- C64 H40 Dy8 O64 -","2","0.5","","Shao, Dong; Wan, Yi; Yang, Jiong; Zhu, Junlun; Ruan, Zhijun; Shi, Le","Assembly of dysprosium(III) cubanes in metal–organic framework with ecu topology and slow magnetic relaxation","Dalton Transactions","2023","","","","","10.1039/D3DT03137C","","","0.71073","MoKα","","0.0508","0.0391","","","0.107","0.1122","","","","","","0.994","","","","has coordinates,has disorder","287597","2023-11-14","23:54:46",""
"7714890","8.0255","0.0003","14.4109","0.0005","14.5282","0.0006","90","","103.255","0.002","90","","1635.49","0.11","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C38 H43 Ga N2 -","- C38 H43 Ga N2 -","- C76 H86 Ga2 N4 -","2","0.5","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","0.71073","MoKα","","0.0502","0.0367","","","0.0833","0.0883","","","","","","1.048","","","","has coordinates,has disorder","289535","2024-02-04","12:04:22",""
"7714892","8.0256","0.0003","14.3869","0.0007","14.5506","0.0006","90","","103.338","0.002","90","","1634.75","0.12","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C38 H43 Al N2 -","- C38 H43 Al N2 -","- C76 H86 Al2 N4 -","2","0.5","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","0.71073","MoKα","","0.0622","0.0447","","","0.1121","0.1221","","","","","","1.037","","","","has coordinates,has disorder","289535","2024-02-04","12:04:22",""
"7714893","8.007","0.0002","14.4092","0.0002","14.7134","0.0003","90","","102.629","0.002","90","","1656.48","0.06","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C38 H43 In N2 -","- C38 H43 In N2 -","- C76 H86 In2 N4 -","2","0.5","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","1.54186","CuKα","","0.0539","0.0446","","","0.1185","0.1241","","","","","","1.099","","","","has coordinates,has disorder","289535","2024-02-04","12:04:22",""
"7714983","10.1731","0.0004","7.5558","0.0003","10.3974","0.0004","90","","99.273","0.001","90","","788.76","0.05","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 Br6 N2 Sn -","- C4 H14 Br6 N2 Sn -","- C8 H28 Br12 N4 Sn2 -","2","0.5","","Vishwajith, Nagale S.; Sharma, Mridul Krishna; Jain, Isha; Vishnoi, Pratap","[NH<sub>3</sub>(CH<sub>2</sub>)<sub>4</sub>NH<sub>3</sub>]SnX<sub>4</sub> (X = Br, I): Dion-Jacobson type 2-D perovskites with short interlayer spacing.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2465","2470","10.1039/d3dt03772j","","","0.71073","MoKα","","0.068","0.0577","","","0.1727","0.1844","","","","","","1.023","","","","has coordinates","290171","2024-03-04","20:15:58",""
"7715305","8.4072","0.0002","13.1964","0.0004","9.211","0.0002","90","","93.753","0.001","90","","1019.72","0.05","170.15","","170.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H30 Au N2 P S -","- C18 H30 Au N2 P S -","- C36 H60 Au2 N4 P2 S2 -","2","0.5","","Posada Urrutia, Mauricio; Kaul, Nidhi; Kaper, Tobias; Hurrell, Dustin; Chiang, Linus; Wells, Jordann A. L.; Orthaber, Andreas; Hammarström, Leif; Pilarski, Lukasz T.; Dyrager, Christine","Access to long-lived room temperature phosphorescence through auration of 2,1,3-benzothiadiazole.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5658","5664","10.1039/d4dt00238e","","","0.71073","MoKα","","0.0448","0.0301","","","0.0681","0.0759","","","","","","1.027","","","","has coordinates,has disorder","290984","2024-04-04","23:38:31",""
"7715482","9.1557","0.0003","9.8409","0.0004","11.6235","0.0003","90","","91.091","0.003","90","","1047.09","0.06","150","0.1","150.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H31 Ag B10 N2 -","- C13 H31 Ag B10 N2 -","- C26 H62 Ag2 B20 N4 -","2","0.5","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","","1.54184","CuKα","","0.0453","0.041","","","0.1052","0.108","","","","","","1.085","","","","has coordinates","291648","2024-05-05","03:07:31",""
"7715729","7.935","0.002","6.703","0.002","14.407","0.003","90","","94.76","0.02","90","","763.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H13 B Cl2 N2 O2 -","- C17 H13 B Cl2 N2 O2 -","- C34 H26 B2 Cl4 N4 O4 -","2","0.5","","Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00522H","","","0.71073","MoKα","","0.0273","0.0262","","","0.0707","0.0716","","","","","","1.032","","","","has coordinates","291211","2024-04-15","23:13:30",""
"8000170","8.494","0.0003","17.521","0.0011","11.458","0.0007","90","","104.666","0.003","90","","1649.66","0.16","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","SIBS ring","SiBS","","- C27 H60 B N S Si3 -","- C28 H60 B N S Si3 -","- C56 H120 B2 N2 S2 Si6 -","2","0.5","","Nakata, Norio; Sekiguchi, Akira","Thia- and Selenasilaboriranes and 1,3,2,4-Dioxasilaboretane from a Stable Silaborene","Chemistry Letters","2007","36","5","662","","10.1246/cl.2007.662","","","0.7107","MoKα","","0.0549","0.0479","","","0.1236","0.129","","","","","","1.031","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8000171","8.535","0.0003","17.516","0.001","11.516","0.0006","90","","105.343","0.0003","90","","1660.27","0.14","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","SiBSe ring","SiBSe","","- C27 H60 B N Se Si3 -","- C27 H60 B N Se Si3 -","- C54 H120 B2 N2 Se2 Si6 -","2","0.5","","Nakata, Norio; Sekiguchi, Akira","Thia- and Selenasilaboriranes and 1,3,2,4-Dioxasilaboretane from a Stable Silaborene","Chemistry Letters","2007","36","5","662","","10.1246/cl.2007.662","","","0.7107","MoKα","","0.041","0.0377","","","0.0985","0.1012","","","","","","1.056","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8000259","9.3005","0.0008","6.6121","0.0005","11.8267","0.001","90","","106.276","0.001","90","","698.14","0.1","","","120","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","N-Benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C32 H32 N8 O2 -","2","0.5","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","0.71073","MoKα","","0.0474","0.0453","","","0.1275","0.1306","","","","","","1.054","","","","has coordinates","204919","2020-10-21","18:00:00",""
"8000558","5.8131","0.00005","15.6887","0.0002","5.2854","0.00008","90","","92.282","0.0006","90","","481.646","0.01","295","","295.03","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Cs Pb I2 Br","Cs Pb I2 Br","","- Br Cs I2 Pb -","- Br Cs I2 Pb -","- Br2 Cs2 I4 Pb2 -","2","0.5","","Yue, Yaochang; Zhou, Jiyu; Cheng, Qian; Zhang, Xuning; Wang, Boxin; Li, Yanxun; Li, Shilin; Cao, Ruiqi; Wang, Kaiyuan; Wang, Hui; Zhou, Huiqiong; Zhang, Yuan","Peculiar Steric Hindrance Assists Monoclinic Phase Formation toward High-Quality All-Inorganic Perovskites.","The journal of physical chemistry letters","2021","12","45","11228","11237","10.1021/acs.jpclett.1c03021","powder diffraction","","1.5405","CuKα","","","","","","","","","7.3375","1.2232","","","","","","","has coordinates","271114","2021-12-04","03:03:48",""
"8000564","8.0489","0.001","31.099","0.004","8.3796","0.001","90","","90.441","0.004","90","","2097.5","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 Br7 Cs N2 Pb2 -","- C4 H14 Br7 Cs N2 Pb2 -","- C16 H56 Br28 Cs4 N8 Pb8 -","4","1","","Xiao, Bao; Sun, Qihao; Wang, Shiyao; Ji, Leilei; Li, Yingrui; Xi, Shouzhi; Zhang, Bin-Bin; Wang, Junjie; Jie, Wanqi; Xu, Yadong","Two-Dimensional Dion-Jacobson Perovskite (NH<sub>3</sub>C<sub>4</sub>H<sub>8</sub>NH<sub>3</sub>)CsPb<sub>2</sub>Br<sub>7</sub> with High X-ray Sensitivity and Peak Discrimination of α-Particles.","The journal of physical chemistry letters","2022","","","1187","1193","10.1021/acs.jpclett.1c04204","","x-ray","0.71073","MoKα","","0.0655","0.058","","","0.1542","0.16","","","","","","1.095","","","","has coordinates","272541","2022-02-04","01:56:23",""
"8100253","6.721","0.001","14.606","0.002","10.304","0.001","90","","95.26","0.01","90","","1007.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H28 Cl4 Cu2 N6 O -","- C8 H28 Cl4 Cu2 N6 O -","- C16 H56 Cl8 Cu4 N12 O2 -","2","0.5","","Zhu, Hai-Liang; Liu, Hua-Li; Li, Yong-Hui; Yu, Kai-Bei","Crystal structure of bis((μ~2~-chloro)-diethylenetriamine-copper (II)) monohydrate dichloride, [(dien)~2~Cu~2~Cl~2~(H~2~O)]Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","41","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100321","7.193","0.001","6.991","0.001","15.142","0.003","90","","103.14","0.03","90","","741.5","0.2","100","1","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 Cl5 N2 Re -","- C10 H11 Cl5 N2 Re -","- C20 H22 Cl10 N4 Re2 -","2","0.5","","Kochel, Andrzej","Crystal structure of pyridynium pentachloro(pyridine)rhenate(IV), (C~5~H~6~N)(C~5~H~5~N)ReCl~5~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","207","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100381","7.802","0.002","12.121","0.003","15.662","0.003","90","","104.29","0.02","90","","1435.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H39 Cl3 N6 O13 Zn2 -","- C14 H39 Cl3 N6 O13 Zn2 -","- C28 H78 Cl6 N12 O26 Zn4 -","2","0.5","","Zhu, Hai-Liang; Meng, Fan-Jin","Crystal structure of μ~2~-hydroxyl-bis(5-methyl-1,4,9-triazanonanezinc (II)) triperchlorate, C~14~H~39~Cl~3~N~6~O~13~Zn~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","321","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100408","8.6178","0.0017","4.4038","0.0009","14.58","0.003","90","","90.2","0.03","90","","553.33","0.19","293","2","293","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","dilanthanum-pentaiodide","","","- I5 La2 -","- I5 La2 -","- I10 La4 -","2","0.5","","Mattausch, Hansjürgen; Oeckler, Oliver; Simon, Arndt","Crystal structure of dilanthanum pentaiodide, La~2~I~5~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","281","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100735","6.094","0.001","20.676","0.004","8.295","0.002","90","","99.47","0.03","90","","1030.9","0.4","203","2","203","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","decachloroheptaoxahexasiloxane","","","- Cl10 O7 Si6 -","- Cl10 O7 Si6 -","- Cl20 O14 Si12 -","2","0.5","","Binnewies, M.; Magull, J.","Crystal structure of decachloro-bicyclo[5.5.1]heptaoxatridecasilane, Si~6~O~7~Cl~10~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","325","326","","","","","","","","0.0389","","","0.1137","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100903","5.1765","0.0009","4.3565","0.0012","9.4307","0.0015","90","","101.555","0.014","90","","208.37","0.08","293","2","293","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ba Sb2 -","- Ba Sb2 -","- Ba2 Sb4 -","2","0.5","","Eisenmann, Brigitte; Gieck, Christine; Rößler, Ute","Crystal structure of barium diantimonide, BaSb~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","36","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100911","6.216","0.001","8.671","0.001","6.788","0.001","90","","99.09","0.01","90","","361.27","0.09","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Trisodium gallium borate","","","- B4 Ga Na3 O9 -","- B4 Ga Na3 O9 -","- B8 Ga2 Na6 O18 -","2","0.5","","Becker, P.; Fröhlich, R.","Crystal structure of trisodium gallium borate, Na~3~GaB~4~O~9~, a new anhydrous borate structure type","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","31","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101137","11.9441","0.0017","3.9746","0.0006","16.327","0.002","90","","97.951","0.003","90","","767.6","0.2","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Praseodymium titanium oxysulfide","","","- O6 Pr6 S7 Ti2 -","- O6 Pr6 S7 Ti2 -","- O12 Pr12 S14 Ti4 -","2","0.5","","Gardberg, Anna S.; Ibers, James A.","Crystal structure of hexapraseodymium dititanium septasulfide hexaoxide, Pr~6~Ti~2~S~7~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","491","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101308","6.153","0.001","6.795","0.001","8.506","0.001","90","","90.39","0.01","90","","355.62","0.09","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pentacalcium tetranitridotungstate(VI) dioxide","","","- Ca5 N4 O2 W -","- Ca5 N4 O2 W -","- Ca10 N8 O4 W2 -","2","0.5","","Höhn, Peter; Kniep, Rüdiger","Crystal structure of pentacalcium [tetranitridotungstate(VI)] dioxide, Ca~5~[WN~4~]O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","333","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101391","9.465","0.005","3.638","0.002","6.983","0.002","90","","100.55","0.05","90","","236.4","0.4","293","","295","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Zirconium_Chromium_Phosphide","","","- Cr10 P6 Zr2 -","- Cr5 P3 Zr -","- Cr10 P6 Zr2 -","2","0.5","","Le Sénéchal, Christophe; Députier, Stéphanie; Guérin, Roland","Crystal structure of zirconium chromium phosphide, ZrCr~5~P~3~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","469","470","","","","","","","","0.0266","","","0.028","","","","","","","","","","","has coordinates","191974","2020-10-21","18:00:00",""
"8101815","7.9467","0.0011","12.0563","0.0014","9.0826","0.0012","90","","106.012","0.011","90","","836.42","0.19","210","2","210","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","(15-crown-5)(trifluoromethanesulfonato-O,O')sodium","(1,4,7,10,13-pentaoxacyclopentadecane-O,O',O'',O''',O'''')- (trifluoromethanesulfonato-O,O')-sodium","","- C11 H20 F3 Na O8 S -","- C11 H20 F3 Na O8 S -","- C22 H40 F6 Na2 O16 S2 -","2","0.5","","D. Peikow; C.-M. Matern; M. G. Peter; U. Schilde","Crystal structure of (1,4,7,10,13-pentaoxacyclopentadecane-O,O',O'', O''',O'''')(trifluoromethanesulfonato- O,O')sodium, Na(C~10~H~20~O~5~) (CF~3~SO~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","431","432","","","","0.71073","MoKα","","0.0696","0.0434","","","0.1111","0.1202","","","","","","0.867","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101841","3.6146","0.0008","7.146","0.001","11.258","0.002","90","","92.02","0.01","90","","290.61","0.09","233","2","233","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","sodium 4-azido-1,2,3-triazolide monohydrate","","- C2 H3 N6 Na O -","- C2 H3 N6 Na O -","- C4 H6 N12 Na2 O2 -","2","0.5","","Laus, G.; Reitsamer, C.; Wurst, K.; Schottenberger, H.","Crystal structure of sodium 4-azido-1,2,3-triazolide monohydrate, Na(N~3~C~2~HN~3~) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","575","576","","","","0.71073","MoKα","","0.0477","0.0416","","","0.1068","0.1103","","","","","","1.096","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102559","5.7574","0.0017","15.028","0.004","9.697","0.003","90","","100.439","0.003","90","","825.1","0.4","291","2","291","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","Hexaaquocobalt(II) piperazinium hexafluorogallate(III) chloride, [C~4~H~12~N~2~][Co(H~2~O)~6~)][GaF~6~]Cl","","- C4 H24 Cl Co F6 Ga N2 O6 -","- C4 H24 Cl Co F6 Ga N2 O6 -","- C8 H48 Cl2 Co2 F12 Ga2 N4 O12 -","2","0.5","","Ya-Wei Yun; Ping Yang; Wei-He Han","Crystal structure of hexaaquocobalt(II) piperazinium hexafluorogallate(III) chloride, [Co(H2O)6)][C4H12N2][GaF6]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","639","","","","","0.71073","MoKα","","0.0623","0.041","","","0.0942","0.1082","","","","","","1.072","","","","has coordinates","194046","2020-10-21","18:00:00",""
"8102763","4.8645","0.001","21.101","0.004","8.0719","0.0016","90","","96.05","0.03","90","","823.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","aqua-di(3,5-dimenthyl pyrazolyl)copper(II) sulfate hydrate","","- C10 H22 Cu N4 O7 S -","- C10 H22 Cu N4 O7 S -","- C20 H44 Cu2 N8 O14 S2 -","2","0.5","","Su-Qing Wang; Fang-Fang Jian","Crystal structure of aquabis(3,5-dimethylpyrazolyl)copper(II) sulfate dihydrate, [Cu(H2O)(C5H8N2)2][SO4] · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","683","","","","","0.71073","MoKα","","0.0514","0.0363","","","0.0968","0.1158","","","","","","1.022","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103003","8.034","0.002","11.552","0.002","9.061","0.002","90","","113.06","0.02","90","","773.7","0.3","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Co H12 Na2 O18 P4 -","- Co0.5 H11 Na O16 P4 -","- Co H22 Na2 O32 P8 -","2","0.5","","Sofiane Souissi; Wajda Smirani; Mohamed Rzaigui","Crystal structure of sodium cobalt (II)tetraaquabis(dihydrogendiphosphate), Na2Co(H2P2O7)2(H2O)4","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","3","","","","","0.7107","MoKα","","0.0333","0.033","","0.044","","0.044","","","1.597","","","1.6","","","","has coordinates","291193","2024-04-15","11:27:49",""
"8103257","6.7195","0.0006","14.0139","0.0013","7.6712","0.0007","90","","114.863","0.002","90","","655.42","0.1","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tetrachloro(2,2'-dipyridylamine-κ^2^N,N')platinum(IV),","","- C10 H9 Cl4 N3 Pt -","- C10 H9 Cl4 N3 Pt -","- C20 H18 Cl8 N6 Pt2 -","2","0.5","","Kwang Ha","Crystal structure of tetrachloro(2,2'-dipyridylamine-?2N,N')platinum(IV), PtCl4(C10H9N3)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","633","","","","","0.71073","MoKα","","0.0392","0.0257","","","0.0455","0.052","","","","","","1.06","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103394","8.953","","4.196","","10.817","","90","","111.48","","90","","378.136","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb Ag Hf Te3","","- Ag Hf Rb Te3 -","- Ag Hf Rb Te3 -","- Ag2 Hf2 Rb2 Te6 -","2","0.5","","Ibers, J.A.; Pell, M.A.; Kleyn, A.G.","Crystal structure of rubidium silver hafnium telluride, Rb Ag Hf Te3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","92","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103459","6.348","","5.084","","4.186","","90","","107.89","","90","","128.564","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","La (B O3)","","- B La O3 -","- B La O3 -","- B2 La2 O6 -","2","0.5","","Boehlhoff, R.; Bambauer, H.U.; Hoffmann, W.","Die Kristallstruktur von Hoch-La B O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","133","","386","395","10.1524/zkri.1971.133.133.386","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103588","7.168","","5.771","","8.036","","90","","102.4","","90","","324.667","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb3 O2 (S O4)","","- O6 Pb3 S -","- O6 Pb3 S -","- O12 Pb6 S2 -","2","0.5","","Sahl, K.","Kristallstruktur von alpha-(Pb O)2 Pb (S O4)","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","209","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103674","9.63","","4.41","","5.43","","90","","99.34","","90","","227.546","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Ba (N3)2","","- Ba N6 -","- Ba N6 -","- Ba2 N12 -","2","0.5","","Walitzi, E.M.; Krischner, H.","Verfeinerung der Kristallstruktur von Bariumazid Ba (N3)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1970","132","","19","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103822","11.0359","","17.5364","","11.5056","","90","","118.178","","90","","1962.78","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Ca2 ((U O2)3 (Cr O4)5) (H2 O)19","","- Ca2 Cr5 H38 O45 U3 -","- Ca2 Cr5 O45 U3 -","- Ca4 Cr10 O90 U6 -","2","0.5","","Krivovichev, S.V.; Burns, P.C.","Geometrical isomerism in uranyl chromates. II. Crystal structures of Mg2((U O2)3 (Cr O4)5) (H2 O)17 and Ca2 ((U O2)3 (Cr O4)5) (H2 O)19","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103851","8.854","","5.888","","4.493","","90","","95.29","","90","","233.233","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tl Cu (O H) S O4","","- Cu H O5 S Tl -","- Cu H O5 S Tl -","- Cu2 H2 O10 S2 Tl2 -","2","0.5","","Giester, G.","Syntheses and crystal structures of TlCu(OH)SO4 and TlCu(OH)SeO4","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","59","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103853","9.041","","5.959","","4.585","","90","","94.26","","90","","246.336","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tl Cu (O H) Se O4","","- Cu H O5 Se Tl -","- Cu H O5 Se Tl -","- Cu2 H2 O10 Se2 Tl2 -","2","0.5","","Giester, G.","Syntheses and crystal structures of TlCu(OH)SO4 and TlCu(OH)SeO4","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","59","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104059","9.433","","4.064","","17.663","","90","","100.92","","90","","664.863","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- In6 Se7 -","- In5.97 Se7 -","- In11.94 Se14 -","2","0.5","","Walther, R.; Deiseroth, H.J.","Redetermination of the crystal structure of hexaindium heptaselenide, In6 Se7","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","359","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104062","9.0981","","3.8938","","17.309","","90","","102.18","","90","","599.389","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tl In5 S7","","- In5 S7 Tl -","- In5 S7 Tl -","- In10 S14 Tl2 -","2","0.5","","Walther, R.; Deiseroth, H.J.","Crystal structure of thallium pentaindium heptasulfide, Tl In5 S7 and thallium pentaindium heptaselenide, Tl In5 Se7","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","51","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104063","9.453","","4.0667","","17.778","","90","","100.99","","90","","670.897","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tl In5 Se7","","- In5 Se7 Tl -","- In5 Se7 Tl -","- In10 Se14 Tl2 -","2","0.5","","Walther, R.; Deiseroth, H.J.","Crystal structure of thallium pentaindium heptasulfide, Tl In5 S7 and thallium pentaindium heptaselenide, Tl In5 Se7","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","51","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104081","8.401","","8.819","","12.802","","90","","100.01","","90","","934.042","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","((N H4)4 (Mo4 O12 (O2)2)) (H2 O)2","","- H20 Mo4 N4 O18 -","- H20 Mo4 N4 O18 -","- H40 Mo8 N8 O36 -","2","0.5","","Olson, S.; Stomberg, R.","Studies on peroxomolybdates XX. Crystal structure of ammonium dodecaoxodiperoxotetramolybdate(VI)-water(1/2), (N H4)4 (Mo4 O12 (O2)2).(H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","895","899","","","","","","","","","","","","","","","","","","","","","","has coordinates","163982","2020-10-21","18:00:00",""
"8104275","3.434","","3.428","","6.068","","90","","109.83","","90","","67.195","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Na (O H)","","- H Na O -","- H Na O -","- H2 Na2 O2 -","2","0.5","","Stehr, H.","Neubestimmung der Kristallstrukturen des dimorphen Natriumhydroxids, Na O H, bei verschiedenen Temperaturen mit Roentgenstrahl- und Neutronenbeugung","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","332","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104411","10.624","","6.26","","12.377","","90","","100.7","","90","","808.835","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb6 (Al Sb3)","","- Al Rb6 Sb3 -","- Al Rb6 Sb3 -","- Al2 Rb12 Sb6 -","2","0.5","","Blase, W.; Cordier, G.; Somer, M.","Crystal structure of hexarubidium triantimonidoaluminate, Rb6 Al Sb3","Zeitschrift fuer Kristallographie (149,1979-)","1992","199","","279","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104432","10.202","","11.544","","9.806","","90","","90.6","","90","","1154.81","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","K4 (Ge4 Se10)","","- Ge4 K4 Se10 -","- Ge4 K4 Se10 -","- Ge8 K8 Se20 -","2","0.5","","Eisenmann, B.; Hansa, J.","Crystal structure of tetrapotassium decaselenidotetragermanate","Zeitschrift fuer Kristallographie (149,1979-)","1993","206","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","173858","2020-10-21","18:00:00",""
"8104453","10.8446","","6.5069","","12.7074","","90","","100.95","","90","","880.368","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs6 (Al Sb3)","","- Al Cs6 Sb3 -","- Al Cs6 Sb3 -","- Al2 Cs12 Sb6 -","2","0.5","","von Schnering, H.G.; Peters, K.; Somer, M.; Blase, W.; Cordier, G.","Crystal structure of cesium triantimonidoaluminate, Cs6 Al Sb3","Zeitschrift fuer Kristallographie (149,1979-)","1990","193","","283","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104465","10.469","","6.356","","12.208","","90","","101.27","","90","","796.668","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs6 (In As3)","","- As3 Cs6 In -","- As3 Cs6 In -","- As6 Cs12 In2 -","2","0.5","","Blase, W.; Somer, M.; Cordier, G.","Crystal structure of hexacesium triarsenidoindate , Cs6 In As3","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","117","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104466","10.858","","6.49","","12.729","","90","","101.12","","90","","880.152","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs6 (Ga Sb3)","","- Cs6 Ga Sb3 -","- Cs6 Ga Sb3 -","- Cs12 Ga2 Sb6 -","2","0.5","","Blase, W.; Cordier, G.; Somer, M.","Crystal structure of hexacesium triantimonidogallate, Cs6 Ga Sb3","Zeitschrift fuer Kristallographie (149,1979-)","1992","199","","277","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104604","8.9812","0.0005","6.5212","0.0003","10.6167","0.0006","90","","100.12","0.006","90","","612.13","0.06","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H8 Mn Mo N2 O4 -","- C12 H8 Mn Mo N2 O4 -","- C24 H16 Mn2 Mo2 N4 O8 -","2","0.5","","Ze-Hai, Qiu; Zhu-Sen, Zhang; Wu-Hua, Chen","The crystal structure of catena-poly[(1,10-phenanthroline-k2 N,N′)-(μ3-tetraoxidomoybdato(VI)-k3 O:O′:O″)manganese(II)] C12H8N2O4MoMn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1347","1349","10.1515/ncrs-2021-0338","","x-ray","0.71073","MoKα","","0.0454","0.0391","","","0.0747","0.0783","","","","","","1.062","","","","has coordinates","273108","2022-02-22","10:50:21",""
"8104639","8.5437","0.0016","17.852","0.004","9.3335","0.0013","90","","101.38","0.016","90","","1395.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H29 Ag2 N5 O9 S -","- C25 H29 Ag2 N5 O9 S -","- C50 H58 Ag4 N10 O18 S2 -","2","0.5","","Zhao, Han-Lin; Jiang, Jin-Ke; Jiang, Hui; Dong, Xian-Wu; Li, Xue","Crystal structure of catena-poly[diaqua-bis(μ2-4,4′-bipyridyl-κ2 N:N′) disilver(I)] 4-oxidopyridine-3-sulfonate trihydrate, C25H29Ag2N5O9S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","973","974","10.1515/ncrs-2021-0175","","","0.71073","MoKα","","0.0318","0.0271","","","0.0631","0.0653","","","","","","1.127","","","","has coordinates","273340","2022-03-04","10:32:05",""
"8104974","5.8968","0.0009","11.5554","0.0018","12.994","0.002","90","","94.577","0.002","90","","882.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 F12 N4 P2 -","- C9 H14 F12 N4 P2 -","- C18 H28 F24 N8 P4 -","2","0.5","","Huang-Xian, Zhang; Kun, Yuan; Qi-Long, Du; Xu-Liang, Nie; Wan-Ming, Xiong","Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C9H14F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","109","111","10.1515/ncrs-2021-0400","","","0.71073","MoKα","","0.077","0.0676","","","0.1943","0.202","","","","","","1.095","","","","has coordinates,has disorder","274168","2022-03-31","07:59:00",""
"8105332","10.2277","0.0018","7.6698","0.0013","13.142","0.002","90","","93.819","0.002","90","","1028.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C21 H25 I2 N -","- C21 H25 I2 N -","- C42 H50 I4 N2 -","2","0.5","","Zhang, Wei-Jun; Zeng, Tao","The crystal structure of 3,6-di-tert-butyl-1,8-diiodo-9-methyl-9H-carbazole, C21H25I2N","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","923","924","10.1515/ncrs-2020-0103","","","0.71073","MoKα","","0.028","0.0261","","","0.0665","0.068","","","","","","1.07","","","","has coordinates","275763","2022-06-03","07:45:14",""
"8105417","6.8088","0.0008","6.7699","0.0009","9.9351","0.0012","90","","105.416","0.003","90","","441.48","0.09","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H7 F3 N2 O2 -","- C7 H7 F3 N2 O2 -","- C14 H14 F6 N4 O4 -","2","0.5","","Jaćimović, Željko. K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Kosović, Milica; Libowitzky, Eugen; Giester, Gerald","Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1189","1190","10.1515/ncrs-2020-0242","","","0.71073","MoKα","","0.0499","0.0398","","","0.1115","0.1192","","","","","","1.095","","","","has coordinates","276037","2022-06-15","06:43:18",""
"8105730","11.651","0.002","7.0023","0.0014","18.716","0.004","90","","97.5","0.002","90","","1513.9","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C39 H34 I N -","- C39 H34 I N -","- C78 H68 I2 N2 -","2","0.5","","Hu, Xin; Jia, Guo-Kai; Ding, Man-Hua","Crystal structure of 3,6-di-tert-butyl-1-iodo-9-methyl-8-(pyren-1-ylethynyl)-9H-carbazole, C39H34IN","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","485","487","10.1515/ncrs-2022-0094","","","0.71073","MoKα","","0.0749","0.041","","","0.0926","0.1056","","","","","","1.002","","","","has coordinates","277490","2022-08-31","09:37:46",""
"8105886","9.2818","0.0002","6.55289","0.00016","11.0561","0.0003","90","","114.051","0.003","90","","614.08","0.03","109","","109","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","2-iodoanilinium triiodide","2-iodobenzenaminium triiodide","","- C6 H7 I4 N -","- C6 H7 I4 N -","- C12 H14 I8 N2 -","2","0.5","","Reiss, Guido J.","Halogen and hydrogen bonding in the layered crystal structure of 2-iodoanilinium triiodide, C6H7I4N","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","899","902","10.1515/ncrs-2019-0127","","","0.71073","MoKα","","0.0234","0.018","","","0.0351","0.0367","","","","","","0.986","","","","has coordinates","278217","2022-09-27","09:43:09",""
"8106297","4.7846","0.0002","9.6099","0.0004","10.326","0.0004","90","","103.137","0.001","90","","462.36","0.03","100","2","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(E)-2-(4-bromophenyl)ethenesulfonyl fluoride","","- C8 H6 Br F O2 S -","- C8 H6 Br F O2 S -","- C16 H12 Br2 F2 O4 S2 -","2","0.5","","Khumalo, Mzilikazi; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrick Gert; Naicker, Tricia","Crystal structure of (E)-2-(4-bromophenyl)ethenesulfonyl fluoride (C8H6BrFO2S)","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","793","794","10.1515/ncrs-2017-0412","","","0.71073","MoKα","","0.0215","0.0193","","","0.0494","0.0502","","","","","","1.087","","","","has coordinates,has disorder","279637","2022-11-30","08:08:03",""
"8106382","4.7846","0.0002","9.6099","0.0004","10.326","0.0004","90","","103.137","0.001","90","","462.36","0.03","100","2","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H6 Br F O2 S -","- C8 H6 Br F O2 S -","- C16 H12 Br2 F2 O4 S2 -","2","0.5","","Zeng, Huahui; Shen, Qianjin; Wu, Xiangxiang","Crystal structure of guanidinium tetrapropylammonium bis(hydrogencarbonate) dihydrate, C15H40N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1015","1017","10.1515/ncrs-2018-0142","","","0.71073","MoKα","","0.0215","0.0193","","","0.0494","0.0502","","","","","","1.087","","","","has coordinates,has disorder","279857","2022-12-13","08:14:40",""
"8106566","8.5468","0.0004","7.0166","0.0004","10.3407","0.0005","90","","106.225","0.002","90","","595.43","0.05","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 N3 S -","- C13 H9 N3 S -","- C26 H18 N6 S2 -","2","0.5","","Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-aizari, Faiz A.","Crystal structure of 2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)malononitrile, C13H9N3S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","451","452","10.1515/ncrs-2016-0313","","","0.71073","MoKα","","0.1197","0.0623","","","0.1368","0.1607","","","","","","1.017","","","","has coordinates","280555","2023-01-24","10:22:16",""
"8107478","8.2047","0.0006","28.6129","0.0013","8.8721","0.0007","90","","112.069","0.009","90","","1930.2","0.3","199.99","0.1","199.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C37 H29 Br3 N2 O14 Zn2 -","- C37 H29 Br3 N2 O14 Zn2 -","- C74 H58 Br6 N4 O28 Zn4 -","2","0.5","","Shi, Xiao-Ming; Fu, Yu-Jia","The crystal structure of poly[diaqua-bis(μ 3-5-bromobenzene-1,3-dicarboxylato-κ 3 O,O,O′)-(μ 2-1,3-bis-(4-pyridyl)-propane-κ 2 N,N′)-dizinc(II))] – 5-bromobenzene-1,3-dicarboxylic acid [2/1], C37H29Br3N2O14Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","499","501","10.1515/ncrs-2023-0055","","x-ray","1.54184","CuKα","","0.067","0.0588","","","0.1462","0.1547","","","","","","1.059","","","","has coordinates","285237","2023-07-17","07:17:14",""
"8107504","4.1681","0.0002","10.6704","0.0006","10.2381","0.0006","90","","95.134","0.002","90","","453.52","0.04","295","","295","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H2 K N3 O7 -","- C6 H2 K N3 O7 -","- C12 H4 K2 N6 O14 -","2","0.5","","Luo, Xinyao; Chen, Cuilian; Hu, Zunjian; Wang, Fei; Sun, Shanhu; Suo, Zhirong; Su, Li","Crystal structure of a polymorph of potassium picrate, C6H2KN3O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","593","594","10.1515/ncrs-2023-0068","","","0.71073","MoKα","","0.0605","0.0404","","","0.0855","0.0967","","","","","","1.037","","","","has coordinates","286377","2023-09-18","07:37:04",""
"9000038","8.96","","5.63","","10.2","","90","","115.4","","90","","464.799","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2 Ca2 Fe H O13 Si3 -","- Al2 Ca2 Fe H O13 Si3 -","- Al4 Ca4 Fe2 H2 O26 Si6 -","2","0.5","","Ito, T.","The structure of epidote (HCa2(Al,Fe)Al2Si3O13)","American Mineralogist","1947","32","","309","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000137","7.908","","5.152","","8.988","","90","","102.75","","90","","357.16","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Krausite","- Fe H2 K O9 S2 -","- Fe H2 K O9 S2 -","- Fe2 H4 K2 O18 S4 -","2","0.5","","Graeber, E. J.; Morosin, B.; Rosenzweig, A.","The crystal structure of krausite, KFe(SO4)2.H2O","American Mineralogist","1965","50","","1929","1936","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000180","8.879","","5.583","","10.155","","90","","115.5","","90","","454.36","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al6 Ca4 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","291269","2024-04-18","16:13:59",""
"9000186","8.878","","5.692","","10.201","","90","","115.4","","90","","465.663","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.97 Ca1.87 Fe0.31 H Mn0.72 O13 Si3 Sr0.13 -","- Al1.97 Ca1.87 Fe0.31 H Mn0.72 O13 Si3 Sr0.13 -","- Al3.94 Ca3.74 Fe0.62 H2 Mn1.44 O26 Si6 Sr0.26 -","2","0.5","","Dollase, W. A.","Crystal structure and cation ordering of piemontite","American Mineralogist","1969","54","","710","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000217","6.991","","12.884","","5.655","","90","","96.18","","90","","506.397","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Kinoite","- Ca2 Cu2 H4 O12 Si3 -","- Ca2 Cu2 H4 O12 Si3 -","- Ca4 Cu4 H8 O24 Si6 -","2","0.5","","Laughon, R. B.","The crystal structure of kinoite","American Mineralogist","1971","56","","193","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000220","8.914","","5.64","","10.162","","90","","115.4","","90","","461.509","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2.17 Ca2 Fe0.81 H O13 Si3 -","- Al2.17 Ca2 Fe0.81 H O13 Si3 -","- Al4.34 Ca4 Fe1.62 H2 O26 Si6 -","2","0.5","","Dollase, W. A.","Refinement of the crystal structures of epidote, allanite and hancockite","American Mineralogist","1971","56","","447","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000221","8.927","","5.761","","10.15","","90","","114.77","","90","","473.973","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","Allanite-(Ce)","- Al1.83 Ca1.26 Ce0.74 Fe1.17 H O13 Si3 -","- Al1.83 Ca1.26 Ce0.74 Fe1.17 H O13 Si3 -","- Al3.66 Ca2.52 Ce1.48 Fe2.34 H2 O26 Si6 -","2","0.5","","Dollase, W. A.","Refinement of the crystal structures of epidote, allanite and hancockite","American Mineralogist","1971","56","","447","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000222","8.958","","5.665","","10.304","","90","","114.4","","90","","476.194","","","","","","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","Hancockite","- Al2.02 Ca1.13 Fe0.98 H Mn0.12 O13 Pb0.5 Si3 Sr0.25 -","- Al2.02 Ca1.13 Fe0.98 H Mn0.12 O13 Pb0.5 Si3 Sr0.25 -","- Al4.04 Ca2.26 Fe1.96 H2 Mn0.24 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","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000225","6.5","","7.37","","5.84","","90","","108.38","","90","","265.493","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Butlerite","- Fe H3 O7 S -","- Fe H3 O7 S -","- Fe2 H6 O14 S2 -","2","0.5","","Fanfani, L.; Nunzi, A.; Zanazzi, P. F.","The crystal structure of butlerite","American Mineralogist","1971","56","","751","757","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000299","8.8877","","5.6275","","10.1517","","90","","115.383","","90","","458.726","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2.16 Ca2 Fe0.84 H O13 Si3 -","- Al2.16 Ca2 Fe0.84 H O13 Si3 -","- Al4.32 Ca4 Fe1.68 H2 O26 Si6 -","2","0.5","","Gabe, E. J.; Portheine, J. C.; Whitlow, S. H.","A reinvestigation of the epidote structure: Confirmation of the iron location sample HEP","American Mineralogist","1973","58","","218","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000300","8.8802","","5.6043","","10.1511","","90","","115.455","","90","","456.15","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2.6 Ca2 Fe0.4 H O13 Si3 -","- Al2.6 Ca2 Fe0.4 H O13 Si3 -","- Al5.2 Ca4 Fe0.8 H2 O26 Si6 -","2","0.5","","Gabe, E. J.; Portheine, J. C.; Whitlow, S. H.","A reinvestigation of the epidote structure: Confirmation of the iron location sample LEP","American Mineralogist","1973","58","","218","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000398","8.93","","12.073","","4.917","","90","","100.15","","90","","521.815","","","","","","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","Bjarebyite","- Al2 Ba0.9 Fe0.9 H3 Mg0.2 Mn0.9 O15 P3 Sr0.1 -","- Al2 Ba0.9 Fe0.9 H3 Mg0.2 Mn0.9 O15 P3 Sr0.1 -","- Al4 Ba1.8 Fe1.8 H6 Mg0.4 Mn1.8 O30 P6 Sr0.2 -","2","0.5","","Moore, P. B.; Araki, T.","Bjarebyite, Ba(Mn,Fe)2Al2(OH)3[PO4]3: Its atomic arrangement","American Mineralogist","1974","59","","567","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000519","8.963","","31.93","","8.5","","90","","118.02","","90","","2147.46","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Geocronite","- As2 Pb15 S24 Sb4 -","- As2 Pb15 S24 Sb4 -","- As4 Pb30 S48 Sb8 -","2","0.5","","Birnie, R. W.; Burnham, C. W.","The crystal structure and extent of solid solution of geocronite","American Mineralogist","1976","61","","963","970","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000649","9.786","","7.134","","7.263","","90","","105.28","","90","","489.13","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Guildite","- Cu Fe H4 O13 S2 -","- Cu Fe H4 O13 S2 -","- Cu2 Fe2 H8 O26 S4 -","2","0.5","","Wan, C.; Ghose, S.; Rossman, G. R.","Guildite, a layer structure with a ferric hydroxy-sulphate chain and its optical absorption spectra Note: OW2 y-coordinate changed in order to reproduce OW2 bond lengths","American Mineralogist","1978","63","","478","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000838","8.022","","5.816","","7.25","","90","","104.9","","90","","326.882","","","","293.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Yoderite","- Al2.84 Fe0.16 Mg O10 Si2 -","- Al2.84 Fe0.16 Mg O10 Si2 -","- Al5.68 Fe0.32 Mg2 O20 Si4 -","2","0.5","","Higgins, J. B.; Ribbe, P. H.; Nakajima, Y.","An ordering model for the commensurate antiphase structure of yoderite Ordered, T = 20 deg C Note: the sample is from Mautia Hill, Tanzania","American Mineralogist","1982","67","","76","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000839","8.027","","5.805","","7.252","","90","","104.9","","90","","326.557","","","","293.15","","","","","","after heating to 800 C","","","5","P 1 21/m 1","-P 2yb","11","","","Yoderite","- Al2.84 Fe0.16 Mg O10 Si2 -","- Al2.84 Fe0.16 Mg O10 Si2 -","- Al5.68 Fe0.32 Mg2 O20 Si4 -","2","0.5","","Higgins, J. B.; Ribbe, P. H.; Nakajima, Y.","An ordering model for the commensurate antiphase structure of yoderite Disordered after heating to 800 C, at T = 20 C Note: the sample is from Mautia Hill, Tanzania","American Mineralogist","1982","67","","76","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000889","10.979","","7.799","","7.818","","90","","100.9","","90","","657.341","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Ohmilite","- H6 O15.274 Si4 Sr3 Ti -","- H4.548 O15.274 Si4 Sr3 Ti -","- H9.096 O30.548 Si8 Sr6 Ti2 -","2","0.5","","Mizota, T.; Komatsu, M.; Chihara, K.","A refinement of the crystal structure of ohmilite, Sr3(Ti,Fe3+)(O,OH)(Si2O6)2* 2-3H2O","American Mineralogist","1983","68","","811","817","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9000936","9.518","","5.753","","12.04","","90","","108","","90","","627.008","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Davreuxite","- Al6 H2 Mn O19 Si4 -","- Al6 H2 Mn O19 Si4 -","- Al12 H4 Mn2 O38 Si8 -","2","0.5","","Sahl, K.; Jones, P. G.; Sheldrick, G. M.","The crystal structure of davreuxite, MnAl6Si4O17(OH)2","American Mineralogist","1984","69","","783","787","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9000942","5.457","","7.151","","6.836","","90","","109.36","","90","","251.677","","","","","","","","","","","","Viitaniemi pegmatite, Orivesi, southern Finland","8","P 1 21/m 1","-P 2yb","11","","","Viitaniemiite","- Al Ca0.592 F2 H Mn0.401 Na O5 P -","- Al Ca0.592 F2 H Mn0.401 Na O5 P -","- Al2 Ca1.184 F4 H2 Mn0.802 Na2 O10 P2 -","2","0.5","","Pajunen, A.; Lahti, S. I.","The crystal structure of viitaniemiite","American Mineralogist","1984","69","","961","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000947","10.235","","6.086","","8.97","","90","","110.75","","90","","522.5","","","","","","","","","","","","Lake Manganese, Copper Harbor, Keweenaw County, Michigan, USA","6","P 1 21/m 1","-P 2yb","11","","","Macfallite","- Al0.39 Ca2 H3 Mn2.61 O14 Si3 -","- Al0.39 Ca2 H3 Mn2.61 O14 Si3 -","- Al0.78 Ca4 H6 Mn5.22 O28 Si6 -","2","0.5","","Moore, P. B.; Shen, J.; Araki, T.","Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal structures of ruizite, macfallite and orientite","American Mineralogist","1985","70","","171","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","287644","2023-11-16","13:20:02",""
"9000986","7.92","","5.146","","9.014","","90","","102.76","","90","","358.305","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Krausite","- Fe H2 K O9 S2 -","- Fe H2 K O9 S2 -","- Fe2 H4 K2 O18 S4 -","2","0.5","","Effenberger, H.; Pertlik, F.; Zemann, J.","Refinement of the crystal structure of krausite: a mineral with an interpolyhedral oxygen-oxygen contact shorter than the hydrogen bond","American Mineralogist","1986","71","","202","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001045","7.119","","14.176","","4.992","","90","","105.1","","90","","486.393","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Tomichite","- As Fe O14 Ti2.98 V3.02 -","- As Fe O14 Ti2.98 V3.02 -","- As2 Fe2 O28 Ti5.96 V6.04 -","2","0.5","","Grey, I. E.; Madsen, I. C.; Harris, D. C.","Barian tomichite, Ba.5(As2).5Ti2(V,Fe)5O13(OH), its crystal structure and relationship to derbylite and tomichite","American Mineralogist","1987","72","","201","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001164","8.934","","5.721","","10.176","","90","","114.3","","90","","474.03","","","","","","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","Dollaseite-(Ce)","- Al0.985 Ca0.963 Ce1.037 F0.87 Fe0.148 H Mg1.867 O12.13 Si3 -","- Al0.985 Ca0.963 Ce1.037 F0.87 Fe0.148 H Mg1.867 O12.13 Si3 -","- Al1.97 Ca1.926 Ce2.074 F1.74 Fe0.296 H2 Mg3.734 O24.26 Si6 -","2","0.5","","Peacor, D. R.; Dunn, P. J.","Dollaseite-(Ce) (Magnesium orthite redefined): Structure refinement and implications for F + M2+ substitutions in epidote-group minerals Note: Mg3-x coordinate has been corrected","American Mineralogist","1988","73","","838","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001179","8.884","","5.684","","10.202","","90","","115.23","","90","","466.022","","","","298.15","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.869 Ca1.799 Fe0.323 H Mn0.808 O13 Si3 Sr0.201 -","- Al1.869 Ca1.799 Fe0.323 H Mn0.808 O13 Si3 Sr0.201 -","- Al3.738 Ca3.598 Fe0.646 H2 Mn1.616 O26 Si6 Sr0.402 -","2","0.5","","Catti, M.; Ferraris, G.; Ivaldi, G.","Thermal behavior of the crystal structure of strontian piemontite Sample: T = 25 C","American Mineralogist","1988","73","","1370","1376","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001180","8.934","","5.727","","10.3","","90","","115.26","","90","","476.608","","","","1073.15","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.869 Ca1.799 Fe0.323 H Mn0.808 O13 Si3 Sr0.201 -","- Al1.869 Ca1.799 Fe0.323 H Mn0.808 O13 Si3 Sr0.201 -","- Al3.738 Ca3.598 Fe0.646 H2 Mn1.616 O26 Si6 Sr0.402 -","2","0.5","","Catti, M.; Ferraris, G.; Ivaldi, G.","Thermal behavior of the crystal structure of strontian piemontite Sample: T = 800 C","American Mineralogist","1988","73","","1370","1376","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001623","10.616","","3.242","","8.932","","90","","108.89","","90","","290.857","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","4","P 1 21/m 1","-P 2yb","11","","","Fetiasite","- As2 Fe2.38 O7 Ti0.58 -","- As2 Fe2.38 O7 Ti0.58 -","- As4 Fe4.76 O14 Ti1.16 -","2","0.5","","Graeser, S.; Schwander, H.; Demartin, F.; Gramaccioli, C. M.; Pilati, T.; Reusser, E.","Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description and structure determination Note: Sample B","American Mineralogist","1994","79","","996","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001624","10.614","","3.252","","8.945","","90","","108.95","","90","","292.018","","","","","","","","","","","","Cervandone","4","P 1 21/m 1","-P 2yb","11","","","Fetiasite","- As2 Fe2.38 O7 Ti0.54 -","- As2 Fe2.38 O7 Ti0.54 -","- As4 Fe4.76 O14 Ti1.08 -","2","0.5","","Graeser, S.; Schwander, H.; Demartin, F.; Gramaccioli, C. M.; Pilati, T.; Reusser, E.","Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description and structure determination Note: Sample A","American Mineralogist","1994","79","","996","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001697","9.5048","","18.1343","","5.3077","","90","","102.009","","90","","894.829","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Al0.014 Ca0.11 Fe2.622 Mg4.254 O24 Si8 -","- Al0.014 Ca0.11 Fe2.622 Mg4.254 O24 Si8 -","- Al0.028 Ca0.22 Fe5.244 Mg8.508 O48 Si16 -","2","0.5","","Yang, H.; Hirschmann, M. M.","Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation ordering and composition in the P2_1/m - C2/m transition in cummingtonite Sample: 11a, heat treated at 600 C","American Mineralogist","1995","80","","916","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001698","9.5057","","18.1187","","5.3059","","90","","102.031","","90","","893.768","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Al0.014 Ca0.1 Fe2.473 Mg4.423 O24 Si8 -","- Al0.014 Ca0.1 Fe2.473 Mg4.423 O24 Si8 -","- Al0.028 Ca0.2 Fe4.946 Mg8.846 O48 Si16 -","2","0.5","","Yang, H.; Hirschmann, M. M.","Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation ordering and composition in the P2_1/m - C2/m transition in cummingtonite Sample: 1c, heat treated at 700 C","American Mineralogist","1995","80","","916","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001732","9.492","","18.093","","5.292","","90","","102.11","","90","","888.617","","","","140","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Fe2.559 Mg4.441 O24 Si8 -","- Fe2.559 Mg4.441 O24 Si8 -","- Fe5.118 Mg8.882 O48 Si16 -","2","0.5","","Yang, H.; Smyth, J. R.","Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K T = 140 K","American Mineralogist","1996","81","","363","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001741","8.896","","5.706","","10.083","","90","","113.88","","90","","468.005","","","","","","","","","","","","","13","P 1 21/m 1","-P 2yb","11","","","Manganiandrosite-(La)","- Al Ca0.64 Ce0.25 Cu0.01 Fe0.1 H La0.25 Mn2.49 Nd0.17 O13 Pr0.05 Si3 Sr0.04 -","- Al Ca0.64 Ce0.25 Cu0.01 Fe0.1 H La0.25 Mn2.49 Nd0.17 O13 Pr0.05 Si3 Sr0.04 -","- Al2 Ca1.28 Ce0.5 Cu0.02 Fe0.2 H2 La0.5 Mn4.98 Nd0.34 O26 Pr0.1 Si6 Sr0.08 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Reinecke, T.","Solid solution between piemontite and androsite-(La), a new mineral of the epidote group from Andros Island, Greece Sample: AND-517 Note: Mineral name changed from androsite-(La)","American Mineralogist","1996","81","","735","742","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001742","8.89","","5.69","","10.135","","90","","114.44","","90","","466.732","","","","","","","","","","","","","17","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.71 Ca0.96 Ce0.23 Cu0.13 Fe0.4 Gd0.01 H La0.11 Mg0.16 Mn0.93 Nd0.1 O13 Pr0.03 Si3 Sm0.02 Sr0.19 Th0.02 -","- Al1.71 Ca0.96 Ce0.23 Cu0.13 Fe0.4 Gd0.01 H La0.11 Mg0.16 Mn0.93 Nd0.1 O13 Pr0.03 Si3 Sm0.02 Sr0.19 Th0.02 -","- Al3.42 Ca1.92 Ce0.46 Cu0.26 Fe0.8 Gd0.02 H2 La0.22 Mg0.32 Mn1.86 Nd0.2 O26 Pr0.06 Si6 Sm0.04 Sr0.38 Th0.04 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Reinecke, T.","Solid solution between piemontite and androsite-(La), a new mineral of the epidote group from Andros Island, Greece Sample: VA-1a","American Mineralogist","1996","81","","735","742","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001799","8.87","","5.592","","10.144","","90","","115.4","","90","","454.516","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.79 Ca2 Fe0.21 H O13 Si3 -","- Al2.79 Ca2 Fe0.21 H O13 Si3 -","- Al5.58 Ca4 Fe0.42 H2 O26 Si6 -","2","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: at room pressure","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001800","8.874","","5.593","","10.139","","90","","115.4","","90","","454.578","","","","","","","","50000","","","","","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al5.58 Ca4 Fe0.42 O26 Si6 -","2","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = 0.5 kbar","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001801","8.84","","5.566","","10.07","","90","","115.5","","90","","447.212","","","","","","","","1940000","","","","","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al5.58 Ca4 Fe0.42 O26 Si6 -","2","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = 19.4 kbar","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001802","8.793","","5.526","","9.996","","90","","115.3","","90","","439.119","","","","","","","","4200000","","","","","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al5.58 Ca4 Fe0.42 O26 Si6 -","2","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = 42 kbar","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001913","9.4498","","18.1083","","5.2978","","90","","102.417","","90","","885.353","","","","","","","","1320000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Al0.008 Ca0.076 Fe3.471 Mg3.445 O24 Si8 -","- Al0.008 Ca0.076 Fe3.471 Mg3.445 O24 Si8 -","- Al0.016 Ca0.152 Fe6.942 Mg6.89 O48 Si16 -","2","0.5","","Yang, H.; Hazen, R. M.; Prewitt, C. T.; Finger, L. W.; Lu, R.; Hemley, R. J.","High-pressure single-crystal X-ray diffraction and infrared spectroscopic studies of the C2/m-P2_1/m phase transition in cummingtonite Sample: P = 1.32 GPa","American Mineralogist","1998","83","","288","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001914","9.3798","","18.0078","","5.2659","","90","","102.723","","90","","867.621","","","","","","","","2970000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Al0.008 Ca0.076 Fe3.471 Mg3.445 O24 Si8 -","- Al0.008 Ca0.076 Fe3.471 Mg3.445 O24 Si8 -","- Al0.016 Ca0.152 Fe6.942 Mg6.89 O48 Si16 -","2","0.5","","Yang, H.; Hazen, R. M.; Prewitt, C. T.; Finger, L. W.; Lu, R.; Hemley, R. J.","High-pressure single-crystal X-ray diffraction and infrared spectroscopic studies of the C2/m-P2_1/m phase transition in cummingtonite Sample: P = 2.97 GPa","American Mineralogist","1998","83","","288","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001915","9.2993","","17.89","","5.2321","","90","","102.979","","90","","848.198","","","","","","","","5090000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Al0.008 Ca0.076 Fe3.471 Mg3.445 O24 Si8 -","- Al0.008 Ca0.076 Fe3.471 Mg3.445 O24 Si8 -","- Al0.016 Ca0.152 Fe6.942 Mg6.89 O48 Si16 -","2","0.5","","Yang, H.; Hazen, R. M.; Prewitt, C. T.; Finger, L. W.; Lu, R.; Hemley, R. J.","High-pressure single-crystal X-ray diffraction and infrared spectroscopic studies of the C2/m-P2_1/m phase transition in cummingtonite Sample: P = 5.09 GPa","American Mineralogist","1998","83","","288","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001916","9.2099","","17.7605","","5.193","","90","","103.173","","90","","827.08","","","","","","","","7900000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Al0.008 Ca0.076 Fe3.471 Mg3.445 O24 Si8 -","- Al0.008 Ca0.076 Fe3.471 Mg3.445 O24 Si8 -","- Al0.016 Ca0.152 Fe6.942 Mg6.89 O48 Si16 -","2","0.5","","Yang, H.; Hazen, R. M.; Prewitt, C. T.; Finger, L. W.; Lu, R.; Hemley, R. J.","High-pressure single-crystal X-ray diffraction and infrared spectroscopic studies of the C2/m-P2_1/m phase transition in cummingtonite Sample: P = 7.90 GPa","American Mineralogist","1998","83","","288","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002154","4.22","","4.176","","15.119","","90","","95.42","","90","","265.247","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Nagyagite","- Au0.133 Pb1.476 S2 Sb0.524 Te0.867 -","- Au0.133 Pb1.476 S2 Sb0.524 Te0.867 -","- Au0.266 Pb2.952 S4 Sb1.048 Te1.734 -","2","0.5","","Effenberger, H.; Paar, W. H.; Topa, D.; Culetto, F. J.; Giester, G.","Toward the crystal structure of nagyagite, [Pb(Pb,Sb)S2][(Au,Te)]","American Mineralogist","1999","84","","669","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002180","8.891","","5.624","","10.164","","90","","115.44","","90","","458.95","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2.32 Ca2 Fe0.68 O13 Si3 -","- Al2.32 Ca2 Fe0.68 O13 Si3 -","- Al4.64 Ca4 Fe1.36 O26 Si6 -","2","0.5","","Giuli, G.; Bonazzi, P.; Menchetti, S.","Al-Fe disorder in synthetic epidotes: A single-crystal X-ray diffraction study Sample: CC11c","American Mineralogist","1999","84","","933","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002251","8.5758","","5.7295","","18.5376","","90","","97.691","","90","","902.652","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Al5.01 Mg4.76 O28 Si6 -","- Al5.01 Mg4.76 O28 Si6 -","- Al10.02 Mg9.52 O56 Si12 -","2","0.5","","Artioli, G.; Fumagalli, P.; Poli, S.","The crystal structure of Mg8(Mg2Al2)Al8Si12(O,OH)56 pumpellyite and its relevance in ultramafic systems at high pressure","American Mineralogist","1999","84","","1906","1914","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9003094","7.649","","6.101","","8.904","","90","","112.23","","90","","384.635","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Calderonite","- Fe H O9 Pb1.937 V1.912 -","- Fe H O9 Pb1.937 V1.912 -","- Fe2 H2 O18 Pb3.874 V3.824 -","2","0.5","","Gonzalez del Tanago, J.; La Iglesia, A.; Rius, J.; Santin, S. F.","Calderonite, a new lead-iron-vanadate of the brackebuschite group","American Mineralogist","2003","88","","1703","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003316","10.618","","25.918","","8.6945","","90","","127.633","","90","","1894.87","","","","","","","","","","","","Benitoite mine, New Idria District, San Benito Co., California, USA","8","P 1 21/m 1","-P 2yb","11","","","Jonesite","- Al2 Ba4 H22 K1.6 Na0.4 O41.02 Si10 Ti4 -","- Al2 Ba4 H10.2 K1.6 Na0.4 O41.02 Si10 Ti4 -","- Al4 Ba8 H20.4 K3.2 Na0.8 O82.04 Si20 Ti8 -","2","0.5","","Krivovichev, S. V.; Armbruster, T.","The crystal structure of jonesite, Ba2(K,Na)[Ti2(Si5Al)O18(H2O)](H2O)n: A first example of titanosilicate with porous double layers","American Mineralogist","2004","89","","314","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003443","9.689","","17.938","","5.268","","90","","102.5","","90","","893.882","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H2 Mg6 Na2 O24 Si8 -","- H2 Mg6 Na2 O24 Si8 -","- H4 Mg12 Na4 O48 Si16 -","2","0.5","","Iezzi, G.; Della Ventura, G.; Oberti, R.; Camara, F.; Holtz, F.","Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole","American Mineralogist","2004","89","","640","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003496","8.856","","5.6291","","10.148","","90","","115.516","","90","","456.549","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2.54 Ca2 H Mn0.46 O13 Si3 -","- Al2.54 Ca2 H Mn0.46 O13 Si3 -","- Al5.08 Ca4 H2 Mn0.92 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.5, p = 0.5, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003497","8.853","","5.6596","","10.1501","","90","","115.511","","90","","458.981","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2.25 Ca2 H Mn0.75 O13 Si3 -","- Al2.25 Ca2 H Mn0.75 O13 Si3 -","- Al4.5 Ca4 H2 Mn1.5 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.75, p = 0.75, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003498","8.8548","","5.6541","","10.1546","","90","","115.514","","90","","458.82","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2.26 Ca2 H Mn0.74 O13 Si3 -","- Al2.26 Ca2 H Mn0.74 O13 Si3 -","- Al4.52 Ca4 H2 Mn1.48 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.75, p = 0.75, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003499","8.8531","","5.6741","","10.1613","","90","","115.519","","90","","460.639","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2 Ca2 H Mn O13 Si3 -","- Al2 Ca2 H Mn O13 Si3 -","- Al4 Ca4 H2 Mn2 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.0, p = 1.00, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003500","8.849","","5.667","","10.153","","90","","115.499","","90","","459.551","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2 Ca2 H Mn O13 Si3 -","- Al2 Ca2 H Mn O13 Si3 -","- Al4 Ca4 H2 Mn2 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.0, p = 1.00, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003501","8.8596","","5.6834","","10.1679","","90","","115.503","","90","","462.095","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.96 Ca2 H Mn1.04 O13 Si3 -","- Al1.96 Ca2 H Mn1.04 O13 Si3 -","- Al3.92 Ca4 H2 Mn2.08 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.1, p = 1.04, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003502","8.86","","5.6818","","10.167","","90","","115.511","","90","","461.914","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.97 Ca2 H Mn1.03 O13 Si3 -","- Al1.97 Ca2 H Mn1.03 O13 Si3 -","- Al3.94 Ca4 H2 Mn2.06 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.1, p = 1.03, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003503","8.8589","","5.7017","","10.1802","","90","","115.54","","90","","463.964","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.74 Ca2 H Mn1.26 O13 Si3 -","- Al1.74 Ca2 H Mn1.26 O13 Si3 -","- Al3.48 Ca4 H2 Mn2.52 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.5, p = 1.26, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003504","8.8625","","5.7006","","10.1822","","90","","115.525","","90","","464.212","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.74 Ca2 H Mn1.26 O13 Si3 -","- Al1.74 Ca2 H Mn1.26 O13 Si3 -","- Al3.48 Ca4 H2 Mn2.52 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.5, p = 1.25, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003505","8.8591","","5.7039","","10.1827","","90","","115.548","","90","","464.236","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.75 Ca2 H Mn1.25 O13 Si3 -","- Al1.75 Ca2 H Mn1.25 O13 Si3 -","- Al3.5 Ca4 H2 Mn2.5 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.75, p = 1.26, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003506","8.8581","","5.6949","","10.1771","","90","","115.518","","90","","463.312","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.75 Ca2 H Mn1.25 O13 Si3 -","- Al1.75 Ca2 H Mn1.25 O13 Si3 -","- Al3.5 Ca4 H2 Mn2.5 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.75, p = 1.25, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003559","7.126","","24.913","","17.075","","90","","101.89","","90","","2966.29","","","","","","","","","","","","","12","P 1 21/m 1","-P 2yb","11","","","Yuksporite","- Ba0.65 Ca8.5 Fe0.1 H10 K3.75 Mn0.15 Na5.5 Nb0.9 O65.74 Si18 Sr1.4 Ti3.1 -","- Ba0.65 Ca8.5 Fe0.1 H7.48 K3.75 Mn0.15 Na5.5 Nb0.9 O65.74 Si18 Sr1.4 Ti3.1 -","- Ba1.3 Ca17 Fe0.2 H14.96 K7.5 Mn0.3 Na11 Nb1.8 O131.48 Si36 Sr2.8 Ti6.2 -","2","0.5","","Krivovichev, S. V.; Yakovenchuk, V. N.; Armbruster, T.; Dobelin, N.; Pattison, P.; Weber, H.-P.; Depmeier, W.","Porous titanosilicate nanorods in the structure of yuksporite, (Sr,Ba)2K4(Ca,Na)14(_,Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, resolved using synchrotron radiation Sample: Kola peninsula, Russia","American Mineralogist","2004","89","","1561","1565","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003638","10.711","","11.085","","5.5747","","90","","98.853","","90","","654.007","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Lausenite","- Fe2 H10 O17 S3 -","- Fe2 O17 S3 -","- Fe4 O34 S6 -","2","0.5","","Majzlan, J.; Botez, C.; Stephens, P. W.","The crystal structures of synthetics Fe2(SO4)3(H2O)5 and the type specimen of lausenite","American Mineralogist","2005","90","","411","416","10.2138/am.2005.1701","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9003669","9.71887","","17.93853","","5.26923","","90","","102.526","","90","","896.783","","","","298","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- D0.63 H1.37 Mg6.13 Na1.71 O24 Si8 -","- D0.63 H1.37 Mg6.13 Na1.71 O24 Si8 -","- D1.26 H2.74 Mg12.26 Na3.42 O48 Si16 -","2","0.5","","Iezzi, G.; Gatta, G. D.; Kockelmann, W.; Della Ventura, G.; Rinaldi, R.; Schafer, W.; Piccinini, M.; Gaillard, F.","Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic amphibole Na(NaMg)Mg5Si8O22(OH)2 Sample: T = 298 K","American Mineralogist","2004","90","","695","700","10.2138/am.2005.1764","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003670","9.70169","","17.89537","","5.25744","","90","","102.597","","90","","890.8","","","","8","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- D0.63 H1.37 Mg6.13 Na1.71 O24 Si8 -","- D0.63 H1.37 Mg6.13 Na1.71 O24 Si8 -","- D1.26 H2.74 Mg12.26 Na3.42 O48 Si16 -","2","0.5","","Iezzi, G.; Gatta, G. D.; Kockelmann, W.; Della Ventura, G.; Rinaldi, R.; Schafer, W.; Piccinini, M.; Gaillard, F.","Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic amphibole Na(NaMg)Mg5Si8O22(OH)2 Sample: T = 8 K","American Mineralogist","2004","90","","695","700","10.2138/am.2005.1764","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003871","8.959","","5.7226","","10.232","","90","","115.19","","90","","474.695","","","","","","","","","","","","","27","P 1 21/m 1","-P 2yb","11","","","Dissakisite-(La)","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al3.672 Ca2.39 Ce0.524 Cr0.296 Er0.002 Fe0.808 Ga0.002 Gd0.002 H2 La0.63 Mg1.244 Mn0.018 Na0.004 Nd0.076 Ni0.02 O26 P0.018 Pr0.038 Sc0.004 Si5.94 Sm0.004 Sr0.02 Th0.18 Ti0.06 U0.006 V0.016 Zn0.03 -","2","0.5","","Lavina, B.; Carbonin, S.; Russo, U.; Tumiati, S.","The crystal structure of dissakisite-(La) and structural variations after annealing of radiation damage Sample: untreated DISS3","American Mineralogist","2006","91","","104","110","10.2138/am.2006.1721","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9003872","8.931","","5.699","","10.182","","90","","115.16","","90","","469.072","","","","","","","","","","annealed 700 C for 3 hours","","","27","P 1 21/m 1","-P 2yb","11","","","Dissakisite-(La)","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al3.672 Ca2.39 Ce0.524 Cr0.296 Er0.002 Fe0.808 Ga0.002 Gd0.002 H2 La0.63 Mg1.244 Mn0.018 Na0.004 Nd0.076 Ni0.02 O26 P0.018 Pr0.038 Sc0.004 Si5.94 Sm0.004 Sr0.02 Th0.18 Ti0.06 U0.006 V0.016 Zn0.03 -","2","0.5","","Lavina, B.; Carbonin, S.; Russo, U.; Tumiati, S.","The crystal structure of dissakisite-(La) and structural variations after annealing of radiation damage Sample: DISS3 annealed 700 C for 3 hours","American Mineralogist","2006","91","","104","110","10.2138/am.2006.1721","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9003873","8.934","","5.6939","","10.18","","90","","115.153","","90","","468.745","","","","","","","","","","annealed 700 C","","","27","P 1 21/m 1","-P 2yb","11","","","Dissakisite-(La)","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al1.836 Ca1.195 Ce0.262 Cr0.148 Er0.001 Fe0.404 Ga0.001 Gd0.001 H La0.315 Mg0.622 Mn0.009 Na0.002 Nd0.038 Ni0.01 O13 P0.009 Pr0.019 Sc0.002 Si2.97 Sm0.002 Sr0.01 Th0.09 Ti0.03 U0.003 V0.008 Zn0.015 -","- Al3.672 Ca2.39 Ce0.524 Cr0.296 Er0.002 Fe0.808 Ga0.002 Gd0.002 H2 La0.63 Mg1.244 Mn0.018 Na0.004 Nd0.076 Ni0.02 O26 P0.018 Pr0.038 Sc0.004 Si5.94 Sm0.004 Sr0.02 Th0.18 Ti0.06 U0.006 V0.016 Zn0.03 -","2","0.5","","Lavina, B.; Carbonin, S.; Russo, U.; Tumiati, S.","The crystal structure of dissakisite-(La) and structural variations after annealing of radiation damage Sample: DISS3 annealed 700 C for 18 (3+15) hours","American Mineralogist","2006","91","","104","110","10.2138/am.2006.1721","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004059","12.28","","3.6","","8","","90","","96.25","","90","","351.562","","","","","","","","","","","","Paradox Valley, Montrose County, Coldrado,USA","3","P 1 21/m 1","-P 2yb","11","","","Metahewettite","- Na O8 V3 -","- Na O8 V3 -","- Na2 O16 V6 -","2","0.5","","Bachmann, H. G.; Barnes, W. H.","The crystal structure of a sodium-calcium variety of metahewettite Sample: anhydrous","The Canadian Mineralogist","1962","7","","219","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004145","9.454","","10.692","","5.444","","90","","105.5","","90","","530.277","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","Morinite","- Al2 Ca2 F4 H5 Na O11 P2 -","- Al2 Ca2 F4 H5 Na O11 P2 -","- Al4 Ca4 F8 H10 Na2 O22 P4 -","2","0.5","","Hawthorne, F. C.","The crystal structure of morinite","The Canadian Mineralogist","1979","17","","93","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004157","17.97","","4.11","","17.62","","90","","94.3","","90","","1297.69","","","","","","","","","","","","Falun, Sweden","5","P 1 21/m 1","-P 2yb","11","","","Nordstromite","- Bi7.92 Cu Pb2.08 S10.8 Se3.2 -","- Bi7.92 Cu Pb2.08 S10.8 Se3.2 -","- Bi15.84 Cu2 Pb4.16 S21.6 Se6.4 -","2","0.5","","Mumme, W. G.","The crystal structure of nordstromite CuPb3Bi7(S,Se)14, from Falun, Sweden: A member of the junoite homologous series","The Canadian Mineralogist","1980","18","","343","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004158","10.7956","","14.4928","","6.6229","","90","","113.214","","90","","952.316","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","Petarasite","- Ca0.2 Cl0.75 H4.37 Na4.8 O20.37 Si6 Zr2 -","- Ca0.2 Cl0.75 H4.37 Na4.8 O20.37 Si6 Zr2 -","- Ca0.4 Cl1.5 H8.74 Na9.6 O40.74 Si12 Zr4 -","2","0.5","","Ghose, S.; Wan, C.; Chao, G. Y.","Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate","The Canadian Mineralogist","1980","18","","503","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004186","28.44","","3.9","","17.55","","90","","106","","90","","1871.17","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Paderaite","- Ag Bi12 Cu5.9 Pb S22 -","- Ag Bi12 Cu5.9 Pb S22 -","- Ag2 Bi24 Cu11.8 Pb2 S44 -","2","0.5","","Mumme, W. G.","The crystal structure of paderaite, a mineral of the cuprobismutite series.","The Canadian Mineralogist","1986","24","","513","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004199","12.29","","3.59","","11.174","","90","","97.24","","90","","489.078","","","","","","","","","","","","Colorado Plateau, USA","3","P 1 21/m 1","-P 2yb","11","","","Hewettite","- Ca0.5 O11.5 V3 -","- Ca0.5 O11.5 V3 -","- Ca O23 V6 -","2","0.5","","Evans, H. T.","The crystal structure of hewettite Note: sample Weeks number W-220-54","The Canadian Mineralogist","1989","27","","181","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004261","8.905","","5.684","","10.113","","90","","114.62","","90","","465.345","","","","","","","","","","","","Balchen Mountain, East Antartica","12","P 1 21/m 1","-P 2yb","11","","","Dissakisite-(Ce)","- Al1.83 Ca Ce0.57 Fe0.145 H La0.33 Mg0.855 Nd0.07 O13 Pr0.03 Si3 Ti0.17 -","- Al1.83 Ca Ce0.57 Fe0.145 H La0.33 Mg0.855 Nd0.07 O13 Pr0.03 Si3 Ti0.17 -","- Al3.66 Ca2 Ce1.14 Fe0.29 H2 La0.66 Mg1.71 Nd0.14 O26 Pr0.06 Si6 Ti0.34 -","2","0.5","","Rouse, R. C.; Peacor, D. R.","The crystal structure of dissakisite-(Ce),the Mg analogue of allanite-(Ce)","The Canadian Mineralogist","1993","31","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004270","9.014","","12.074","","4.926","","90","","100.48","","90","","527.178","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","Kulanite","- Al1.88 Ba Fe1.3 H4 Mg0.62 Mn0.08 O15 P3 -","- Al1.88 Ba Fe1.3 H4 Mg0.62 Mn0.08 O15 P3 -","- Al3.76 Ba2 Fe2.6 H8 Mg1.24 Mn0.16 O30 P6 -","2","0.5","","Cooper, M. A.; Hawthorne, F. C.","Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as agreed upon by the authors, 2006","The Canadian Mineralogist","1994","32","","15","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004457","7.65","","6.135","","8.863","","90","","111.76","","90","","386.325","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Brackebuschite","- H Mn O9 Pb2 V2 -","- H Mn O9 Pb2 V2 -","- H2 Mn2 O18 Pb4 V4 -","2","0.5","","Foley, J. A.; Hughes, J. M.; Lange, D.","The atomic arrangement of brackebuschite, redefined as Pb2(Mn,Fe)(VO4)2(OH), and comments on Mn octahedra","The Canadian Mineralogist","1997","35","","1027","1033","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004472","13.374","","5.1011","","6.653","","90","","106.56","","90","","435.056","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Kukharenkoite-(Ce)","- C3 Ba2 Ce F O9 -","- C3 Ba2 Ce F O9 -","- C6 Ba4 Ce2 F2 O18 -","2","0.5","","Krivovichev, S. V.; Filatov, S. K.; Zaitsev, A. N.","The crystal structure of kukharenkoite-(Ce), Ba2REE(CO3)3F,and an interpretation based on cation-coordinated F tetrahedra","The Canadian Mineralogist","1998","36","","809","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004487","7.0772","","7.0597","","6.6479","","90","","104.982","","90","","320.858","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Boltwoodite","- H4.84 K0.56 Na0.21 O7.27 Si U -","- H3.54 K0.56 Na0.21 O7.27 Si U -","- H7.08 K1.12 Na0.42 O14.54 Si2 U2 -","2","0.5","","Burns, P. C.","The structure of boltwoodite and implications of solid solution toward sodium boltwoodite","The Canadian Mineralogist","1998","36","","1069","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004517","9.687","","10.7379","","5.5523","","90","","105.32","","90","","557.017","","","","","","","","","","","","La Esperanza mine, Mexico","7","P 1 21/m 1","-P 2yb","11","","","Esperanzaite","- Al2 As2 Ca2 F4 H5 Na0.68 O11 -","- Al2 As2 Ca2 F4 H5 Na0.68 O11 -","- Al4 As4 Ca4 F8 H10 Na1.36 O22 -","2","0.5","","Foord, E. E.; Hughes, J. M.; Cureton, F. E.; Maxwell, C. H.; Falster, A. U.; Sommer, A. J.; Hlava, P. F.","Esperanzaite, NaCa2Al2(AsO4)2F4(OH).2H2O, a new mineral species from the La Esperanza mine, Mexico: Descriptive mineralogy and atomic arrangement","The Canadian Mineralogist","1999","37","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004594","9.8102","","10.0424","","9.9788","","90","","101.686","","90","","962.714","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","Andyrobertsite","- As5 Ca0.428 Cd0.426 Cu5 H6 K Mn0.146 O22 -","- As5 Ca0.428 Cd0.426 Cu5 H6 K Mn0.146 O22 -","- As10 Ca0.856 Cd0.852 Cu10 H12 K2 Mn0.292 O44 -","2","0.5","","Cooper, M. A.; Hawthorne, F. C.","Highly undersaturated anions in the crystal structure of andyrobertsite - calcio-andyrobertsite, a doubly acid arsenate of the form K(Cd,Ca)[Cu5(AsO4)4{As(OH)2O2}](H2O)2","The Canadian Mineralogist","2000","38","","817","830","10.2113/gscanmin.38.4.817","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004767","8.962","","5.836","","10.182","","90","","115.02","","90","","482.568","","","","","","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","Ferriallanite-(Ce)","- Al0.68 Ca1.08 Ce0.92 Fe2.17 H Mn0.07 O13 Si2.94 Ti0.14 -","- Al0.68 Ca1.08 Ce0.92 Fe2.17 H Mn0.07 O13 Si2.94 Ti0.14 -","- Al1.36 Ca2.16 Ce1.84 Fe4.34 H2 Mn0.14 O26 Si5.88 Ti0.28 -","2","0.5","","Kartashov, P. M.; Ferraris, G.; Ivaldi, G.; Sokolova, E. V.; McCammon, C. A.","Ferriallanite-(Ce), CaCeFeAlFe(SiO4)(Si2O7)O(OH), a new member of the epidote group: Description, X-ray and Mossbauer study: Errata Note: supercedes data from The Canadian Mineralogist 40 (2002) 1641-1648","The Canadian Mineralogist","2003","41","","829","830","10.2113/gscanmin.41.3.829","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004825","9.5341","","4.1004","","10.2546","","90","","100.066","","90","","394.719","","","","","","","","","","","","Niederschlema-Alberoda, Erzgebirge, Germany","5","P 1 21/m 1","-P 2yb","11","","","Schlemaite","- Ag0.2 Bi0.39 Cu5.85 Pb0.61 Se4 -","- Ag0.2 Bi0.39 Cu5.85 Pb0.61 Se4 -","- Ag0.4 Bi0.78 Cu11.7 Pb1.22 Se8 -","2","0.5","","Forster, H. J.; Cooper, M. A.; Roberts, A. C.; Stanley, C. J.; Criddle, A. J.; Hawthorne, F. C.; Laflamme, J. H. G.; Tischendorf, G.","Schlemaite, (Cu,_)6(Pb,Bi)Se4, a new mineral species from Niederschlema-Alberoda, Erzgebirge, Germany: Description and crystal structure Locality: Niederschlema-Alberoda, Erzgebirge, Germany","The Canadian Mineralogist","2003","41","","1433","1444","10.2113/gscanmin.41.6.1433","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004828","7.973","","8.096","","7.148","","90","","101.01","","90","","452.907","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","Uzonite","- As4 S5 -","- As4 S5 -","- As8 S10 -","2","0.5","","Bindi, L.; Popova, V.; Bonazzi, P.","Uzonite, As4S5, from the type locality: Single-crystal X-ray study and effects of exposure to light","The Canadian Mineralogist","2003","41","","1463","1468","10.2113/gscanmin.41.6.1463","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004971","8.914","","5.726","","10.132","","90","","114.87","","90","","469.195","","","","","","","","","","","","Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany, Italy","13","P 1 21/m 1","-P 2yb","11","","","Allanite-(La)","- Al1.871 Ca1.311 Ce0.196 Fe1.009 H La0.274 Mg0.12 Nd0.111 O13 Pr0.101 Si3 Th0.006 Y0.001 -","- Al1.871 Ca1.311 Ce0.196 Fe1.009 H La0.274 Mg0.12 Nd0.111 O13 Pr0.101 Si3 Th0.006 Y0.001 -","- Al3.742 Ca2.622 Ce0.392 Fe2.018 H2 La0.548 Mg0.24 Nd0.222 O26 Pr0.202 Si6 Th0.012 Y0.002 -","2","0.5","","Orlandi, P.; Pasero, M.","Allanite-(La) from Buca della Vena mine, Apuan Alps, Italy, an epidote-group mineral Locality: Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany, Italy","The Canadian Mineralogist","2006","44","","63","68","10.2113/gscanmin.44.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004976","8.621","","26.03","","8.81","","90","","119.21","","90","","1725.6","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Kirkiite","- As3.84 Bi2.16 Pb10 S19 -","- As3.84 Bi2.16 Pb10 S19 -","- As7.68 Bi4.32 Pb20 S38 -","2","0.5","","Makovicky, E.; Balic-Zunic T; Karanovic, L.; Poleti, D.","The crystal structure of kirkiite, Pb10Bi3As3S19 Locality: lead-zinc deposit of Aghios Philippos, near Kirki, in Thrace, Greece","The Canadian Mineralogist","2006","44","1","177","188","10.2113/gscanmin.44.1.177","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004983","12.703","","4.0305","","28.925","","90","","102.484","","90","","1445.93","","","","","","","","","","","","Grube Clara, Black Forest, Germany","5","P 1 21/m 1","-P 2yb","11","","","Berryite","- Ag2 Bi7 Cu3 Pb3 S16 -","- Ag2 Bi7 Cu3 Pb3 S16 -","- Ag4 Bi14 Cu6 Pb6 S32 -","2","0.5","","Topa, D.; Makovicky, E.; Putz, H.; Mumme, W. G.","The crystal structure of berryite, Cu3Ag2Pb3Bi7S16 Note: y-coordinates corrected by author","The Canadian Mineralogist","2006","44","","465","480","10.2113/gscanmin.44.2.465","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004984","17.585","","3.9386","","28.453","","90","","105.41","","90","","1899.82","","","","","","","","","","","","Bihor, Romania","5","P 1 21/m 1","-P 2yb","11","","","Paderaite","- Ag0.2 Bi11.34 Cu7.09 Pb1.37 S22 -","- Ag0.2 Bi11.34 Cu7.09 Pb1.37 S22 -","- Ag0.4 Bi22.68 Cu14.18 Pb2.74 S44 -","2","0.5","","Topa, D.; Makovicky, E.","The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, with X = Cu or Ag: New data and interpretation","The Canadian Mineralogist","2006","44","","481","495","10.2113/gscanmin.44.2.481","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004985","17.573","","3.9426","","28.423","","90","","105.525","","90","","1897.39","","","","","","","","","","","","Swartberg, South Africa","4","P 1 21/m 1","-P 2yb","11","","","Paderaite","- Bi11.34 Cu7.32 Pb1.34 S22 -","- Bi11.34 Cu7.32 Pb1.34 S22 -","- Bi22.68 Cu14.64 Pb2.68 S44 -","2","0.5","","Topa, D.; Makovicky, E.","The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, with X = Cu or Ag: New data and interpretation","The Canadian Mineralogist","2006","44","","481","495","10.2113/gscanmin.44.2.481","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005041","8.849","","5.671","","10.203","","90","","114.63","","90","","465.43","","","","","","","","","","","","Val Graveglia, Liguria, Italy","8","P 1 21/m 1","-P 2yb","11","","","Strontiopiemontite","- Al1.8 Ca1.05 Fe0.32 H Mn1.1 O13 Si3 Sr0.73 -","- Al1.8 Ca1.05 Fe0.32 H Mn1.1 O13 Si3 Sr0.73 -","- Al3.6 Ca2.1 Fe0.64 H2 Mn2.2 O26 Si6 Sr1.46 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Palenzona, A.","Strontiopiemontite, a new member of the epidote group, from Val Graveglia, Liguria, Italy Sample: SRPM","European Journal of Mineralogy","1990","2","","519","523","10.1127/ejm/2/4/0519","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005042","8.87","","5.681","","10.209","","90","","114.88","","90","","466.692","","","","","","","","","","","","Val Graveglia, Liguria, Italy","8","P 1 21/m 1","-P 2yb","11","","","Strontiopiemontite","- Al1.74 Ca1.38 Fe0.32 H Mn0.94 O13 Si3 Sr0.62 -","- Al1.74 Ca1.38 Fe0.32 H Mn0.94 O13 Si3 Sr0.62 -","- Al3.48 Ca2.76 Fe0.64 H2 Mn1.88 O26 Si6 Sr1.24 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Palenzona, A.","Strontiopiemontite, a new member of the epidote group, from Val Graveglia, Liguria, Italy Sample: SRPC","European Journal of Mineralogy","1990","2","","519","523","10.1127/ejm/2/4/0519","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005064","9.8688","","14.1295","","8.7092","","90","","124.74","","90","","997.946","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Harmotome","- Al2.08 Ba O23 Si5.92 -","- Al2.08 Ba O23 Si5.92 -","- Al4.16 Ba2 O46 Si11.84 -","2","0.5","","Stuckenschmidt, E.; Fuess, H.; Kvick, A.","Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 293 K","European Journal of Mineralogy","1990","2","","861","874","10.1127/ejm/2/6/0861","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005065","9.841","","14.085","","8.68","","90","","124.78","","90","","988.196","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Harmotome","- Al2.08 Ba O23 Si5.92 -","- Al2.08 Ba O23 Si5.92 -","- Al4.16 Ba2 O46 Si11.84 -","2","0.5","","Stuckenschmidt, E.; Fuess, H.; Kvick, A.","Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 100 K","European Journal of Mineralogy","1990","2","","861","874","10.1127/ejm/2/6/0861","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005066","9.884","","14.1","","8.655","","90","","124.59","","90","","992.986","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Harmotome","- Al2.22 Ba H11.16 O21.84 Si5.34 -","- Al2.22 Ba H11.16 O21.84 Si5.34 -","- Al4.44 Ba2 H22.32 O43.68 Si10.68 -","2","0.5","","Stuckenschmidt, E.; Fuess, H.; Kvick, A.","Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 15 K","European Journal of Mineralogy","1990","2","","861","874","10.1127/ejm/2/6/0861","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005089","8.884","","5.685","","10.152","","90","","115","","90","","464.693","","","","","","","","","","","","Monte Brugiana, Alpi Apuane, Italy","15","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.75 Ca1.48 Ce0.04 Fe0.39 H La0.16 Mg0.08 Mn0.98 Nd0.06 O13 Pr0.02 Si3 Sm0.003 Sr0.03 Th0.004 -","- Al1.7499 Ca1.48 Ce0.04 Fe0.39 H La0.16 Mg0.0798 Mn0.98 Nd0.06 O13 Pr0.02 Si3 Sm0.003 Sr0.03 Th0.004 -","- Al3.4998 Ca2.96 Ce0.08 Fe0.78 H2 La0.32 Mg0.1596 Mn1.96 Nd0.12 O26 Pr0.04 Si6 Sm0.006 Sr0.06 Th0.008 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy Sample: BR1A","European Journal of Mineralogy","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005090","8.881","","5.683","","10.15","","90","","114.99","","90","","464.319","","","","","","","","","","","","Monte Brugiana, Alpi Apuane, Italy","15","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.75 Ca1.48 Ce0.04 Fe0.39 H La0.16 Mg0.08 Mn0.98 Nd0.06 O13 Pr0.02 Si3 Sm0.003 Sr0.03 Th0.004 -","- Al1.7499 Ca1.48 Ce0.04 Fe0.39 H La0.16 Mg0.0798 Mn0.98 Nd0.06 O13 Pr0.02 Si3 Sm0.003 Sr0.03 Th0.004 -","- Al3.4998 Ca2.96 Ce0.08 Fe0.78 H2 La0.32 Mg0.1596 Mn1.96 Nd0.12 O26 Pr0.04 Si6 Sm0.006 Sr0.06 Th0.008 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy Sample: BR1C","European Journal of Mineralogy","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005091","8.857","","5.671","","10.156","","90","","115.29","","90","","461.225","","","","","","","","","","","","Monte Brugiana, Alpi Apuane, Italy","13","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.88 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.01 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04 -","- Al1.8798 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.0099 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04 -","- Al3.7596 Ca3.46 Ce0.04 Fe1.02 H2 La0.04 Mg0.0198 Mn1.62 Nd0.02 O26 Pr0.004 Si5.94 Sr0.08 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy Sample: BR2P","European Journal of Mineralogy","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005092","8.845","","5.668","","10.152","","90","","115.35","","90","","459.947","","","","","","","","","","","","Monte Brugiana, Alpi Apuane, Italy","13","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.88 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.01 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04 -","- Al1.8798 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.0099 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04 -","- Al3.7596 Ca3.46 Ce0.04 Fe1.02 H2 La0.04 Mg0.0198 Mn1.62 Nd0.02 O26 Pr0.004 Si5.94 Sr0.08 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy Sample: BR2H","European Journal of Mineralogy","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005135","6.79","","17.581","","7.735","","90","","94.5","","90","","920.519","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","Brewsterite-Ba","- Al2.1 Ba0.9 H9.3 K0.02 Mg0.04 Na0.035 O20.88 Si5.9 -","- Al2.1 Ba0.9 H9.76 K0.02 Mg0.04 Na0.035 O20.88 Si5.9 -","- Al4.2 Ba1.8 H19.52 K0.04 Mg0.08 Na0.07 O41.76 Si11.8 -","2","0.5","","Cabella, R.; Lucchetti, G.; Palenzona, A.; Quartieri, S.; Vezzalini, G.","First occurrence of a Ba-dominant brewsterite: structural features","European Journal of Mineralogy","1993","5","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005456","8.5424","","5.7117","","9.6484","","90","","108.298","","90","","446.958","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al2.58 H3.42 Mg2.42 O14 Si3 -","- Al2.58 H3.42 Mg2.42 O14 Si3 -","- Al5.16 H6.84 Mg4.84 O28 Si6 -","2","0.5","","Gottschalk, M.; Fockenberg, T.; Grevel, K.-D.; Wunder, B.; Wirth, R.; Schreyer, W.; Maresch, W. V.","Crystal structure of the high-pressure phase Mg4(MgAl)Al4[Si6O21/(OH)7]: an analogue of sursassite Sample: A53","European Journal of Mineralogy","2000","12","","935","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005697","8.939","","5.706","","15.855","","90","","94.58","","90","","806.117","","","","","","","","","","","","Vastmanland, Sweden","9","P 1 21/m 1","-P 2yb","11","","","Vastmanlandite-(Ce)","- Al1.928 Ca0.922 Ce3.078 F0.461 Fe0.514 H2 Mg1.558 O21.539 Si5 -","- Al1.928 Ca0.922 Ce3.078 F0.461 Fe0.514 H2 Mg1.558 O21.539 Si5 -","- Al3.856 Ca1.844 Ce6.156 F0.922 Fe1.028 H4 Mg3.116 O43.078 Si10 -","2","0.5","","Holtstam, D.; Kolitsch, U.; Andersson, U. B.","Vastmanlandite-(Ce) - a new lanthanide- and F-bearing sorosilicate mineral from Vastmanland, Sweden: description, crystal structure, and relation to gatelite-(Ce) Locality: Vastmanland, Sweden","European Journal of Mineralogy","2005","17","","129","141","10.1127/0935-1221/2005/0017-0129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005774","8.7","","5.79","","9.78","","90","","108.9","","90","","466.087","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al2.83 H3 Mn2.17 O14 Si3 -","- Al2.83 H3 Mn2.17 O14 Si3 -","- Al5.66 H6 Mn4.34 O28 Si6 -","2","0.5","","Mellini, M.; Merlino, S.; Pasero, M.","X-ray and HRTEM study of sursassite: crystal structure, stacking disorder, and sursassite-pumpellyite intergrowth","Physics and Chemistry of Minerals","1984","10","","99","105","10.1007/BF00309643","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006586","6.676","","16.547","","7.543","","90","","94.41","","90","","830.791","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Brewsterite-Sr","- Al1.01 H2 O8.79 Si2.99 Sr0.517 -","- Al1.01 H1.58 O8.79 Si2.99 Sr0.517 -","- Al4.04 H6.32 O35.16 Si11.96 Sr2.068 -","4","1","","Alberti, A.; Sacerdoti, M.; Quartieri, S.; Vezzalini, G.","Heating-induced phase transformation in zeolite brewsterite: new 4- and 5-coordinated (Si,Al) sites Sample: BR280R","Physics and Chemistry of Minerals","1999","26","","181","186","10.1007/s002690050175","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007247","9.685","","17.92","","5.268","","90","","102.44","","90","","892.823","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H2 Mg6.19 Na1.62 O24 Si8 -","- H2 Mg6.19 Na1.62 O24 Si8 -","- H4 Mg12.38 Na3.24 O48 Si16 -","2","0.5","","Camara, F.; Oberti, R.; Iezzi, G.; Della Ventura, G.","The P2_1/m - C2/m phase transition in synthetic amphibole Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation Sample: T = ambient","Physics and Chemistry of Minerals","2003","30","","570","581","10.1007/s00269-003-0348-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007248","9.706","","17.986","","5.286","","90","","102.37","","90","","901.365","","","","413.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H2 Mg6.19 Na1.62 O24 Si8 -","- Mg6.19 Na1.62 O24 Si8 -","- Mg12.38 Na3.24 O48 Si16 -","2","0.5","","Camara, F.; Oberti, R.; Iezzi, G.; Della Ventura, G.","The P2_1/m - C2/m phase transition in synthetic amphibole Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation Sample: T = 140 C","Physics and Chemistry of Minerals","2003","30","","570","581","10.1007/s00269-003-0348-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007471","8.035","","5.805","","7.346","","90","","105.63","","90","","329.97","","","","","","","","","","","","Mautia Hill, Tanzania","7","P 1 21/m 1","-P 2yb","11","","","Yoderite","- Al2.64 Ca0.12 Fe0.24 H Mg O10 Si2 -","- Al2.64 Ca0.12 Fe0.24 H Mg O10 Si2 -","- Al5.28 Ca0.24 Fe0.48 H2 Mg2 O20 Si4 -","2","0.5","","Fleet, S. G.; Megaw, H. D.","The crystal structure of yoderite","Acta Crystallographica","1962","15","","721","728","10.1107/S0365110X62001930","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007479","6.772","","17.51","","7.744","","90","","94.3","","90","","915.681","","","","","","","","","","","","Strontian, Argyll, Scotland","7","P 1 21/m 1","-P 2yb","11","","","Brewsterite-Sr","- Al1.98 Ba0.3 Ca0.14 H8 O20.9 Si6.02 Sr0.58 -","- Al1.98 Ba0.3 Ca0.14 H9.8 O20.9 Si6.02 Sr0.58 -","- Al3.96 Ba0.6 Ca0.28 H19.6 O41.8 Si12.04 Sr1.16 -","2","0.5","","Perrotta, A. J.; Smith, J. V.","The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O Note: zeolite","Acta Crystallographica","1964","17","","857","862","10.1107/S0365110X64002298","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007622","6.793","","17.573","","7.759","","90","","94.54","","90","","923.312","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","Brewsterite-Sr","- Al2 Ba0.24 H10 K0.01 O21 Si6 Sr0.71 -","- Al2 Ba0.24 H10 K0.01 O21 Si6 Sr0.71 -","- Al4 Ba0.48 H20 K0.02 O42 Si12 Sr1.42 -","2","0.5","","Schlenker, J. L.; Pluth, J. J.; Smith, J. V.","Refinement of the crystal structure of brewsterite, Ba0.5Sr1.5Al4Si12O32*10H2O","Acta Crystallographica, Section B","1977","33","","2907","2910","10.1107/S0567740877009765","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007729","7.444","","6.658","","7.759","","90","","93.57","","90","","383.807","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu3 H2 O9 V2 -","- Cu3 H2 O9 V2 -","- Cu6 H4 O18 V4 -","2","0.5","","Leblanc, M.; Ferey, G.","Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu3V2O8(H2O) and CuV2O6(H2O)2","Acta Crystallographica, Section C","1990","46","","15","18","10.1107/S0108270189004567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007762","6.41","","5.525","","9.293","","90","","90.69","","90","","329.09","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- As Cl2 O3 Pb2 -","- As Cl2 O3 Pb2 -","- As2 Cl4 O6 Pb4 -","2","0.5","","Effenberger, H.; Miletich, R.; Pertlik, F.","Structure of dilead(II) hydrogenarsenate(III) dichloride","Acta Crystallographica, Section C","1990","46","","541","543","10.1107/S0108270189008863","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008128","9.77","","7.15","","6.25","","90","","104","","90","","423.628","","","","","","","","","","","","Kalasz, Galicia","5","P 1 21/m 1","-P 2yb","11","","","Syngenite","- Ca H2 K2 O9 S2 -","- Ca H2 K2 O9 S2 -","- Ca2 H4 K4 O18 S4 -","2","0.5","","Corazza, E.; Sabelli, C.","The crystal structure of syngenite, K2Ca(SO4)2*(H2O)","Zeitschrift fur Kristallographie","1967","124","","398","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008165","9.63","","4.41","","5.43","","90","","99.57","","90","","227.394","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ba N6 -","- Ba N6 -","- Ba2 N12 -","2","0.5","","Walitzi, E. M.; Krischner, H.","Strukturuntersuchungen an bariumazid Ba(N3)2","Zeitschrift fur Kristallographie","1969","129","","153","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008238","8.918","","31.899","","8.462","","90","","117.79","","90","","2129.59","","","","","","","","","","","","Binnatal, Switzerland","3","P 1 21/m 1","-P 2yb","11","","","Jordanite","- As6 Pb13.88 S23 -","- As6 Pb13.88 S23 -","- As12 Pb27.76 S46 -","2","0.5","","Ito, T.; Nowacki, W.","The crystal structure of jordanite, Pb28As12S46","Zeitschrift fur Kristallographie","1974","139","","161","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008587","6.1835","","4.8244","","10.973","","90","","101.8","","90","","320.425","","","","","","","","","","","","","1","P 1 21/m 1","-P 2yb","11","Plutonium-alpha","","Plutonium-alpha","- Pu -","- Pu -","- Pu16 -","16","4","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is stable room conditions to 110 C","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009248","7.16","","14.347","","4.97","","90","","104.61","","90","","494.033","","","","","","","","","","","","Ouro Preto, Minas Gerias, Brazil","5","P 1 21/m 1","-P 2yb","11","","","Derbylite","- Fe4 H O14 Sb Ti3 -","- Fe4 H O14 Sb Ti3 -","- Fe8 H2 O28 Sb2 Ti6 -","2","0.5","","Moore, P. B.; Araki, T.","Derbylite, Fe3+4Ti4+3Sb3+O13(OH), a novel close-packed oxide structure","Neues Jahrbuch fur Mineralogie, Abhandlungen","1976","126","","292","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009327","11.08","","14.634","","6.439","","90","","99.43","","90","","1029.94","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Swartzite","- C3 H24 Ca Mg O23 U -","- C3 H24 Ca Mg O23 U -","- C6 H48 Ca2 Mg2 O46 U2 -","2","0.5","","Mereiter, K.","Synthetic swartzite, CaMg[UO2(CO3)3]*12H2O, and its strontium analogue, SrMg[UO2(CO3)3]*12H2O: Crystallography and crystal structures","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","1986","","481","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009328","11.216","","14.739","","6.484","","90","","99.48","","90","","1057.25","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C3 H24 Mg O23 Sr U -","- C3 H24 Mg O23 Sr U -","- C6 H48 Mg2 O46 Sr2 U2 -","2","0.5","","Mereiter, K.","Synthetic swartzite, CaMg[UO2(CO3)3]*12H2O, and its strontium analogue, SrMg[UO2(CO3)3]*12H2O: Crystallography and crystal structures","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","1986","","481","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009339","9.121","","6.142","","7.838","","90","","112.88","","90","","404.547","","","","","","","","","","","","a manganese ore deposit at Molinello mine, Val Graveglia, Eastern Liguria, Italy","8","P 1 21/m 1","-P 2yb","11","","","Gamagarite","- As0.18 Ba1.8 Fe0.56 H Mn0.44 O9 Sr0.2 V1.82 -","- As0.18 Ba1.8 Fe0.56 H Mn0.44 O9 Sr0.2 V1.82 -","- As0.36 Ba3.6 Fe1.12 H2 Mn0.88 O18 Sr0.4 V3.64 -","2","0.5","","Basso, R.; Palenzona, A.; Zefiro, L.","Gamagarite: new occurrence and crystal structure refinement Locality: a manganese ore deposit at Molinello mine, Val Graveglia, Eastern Liguria, Italy","Neues Jahrbuch fur Mineralogie, Monatshefte","1987","1987","","295","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009423","4.5437","","5.5137","","6.634","","90","","106.547","","90","","159.316","","","","","","","","","","","","El Dragon mine, Potosi, Bolivia","3","P 1 21/m 1","-P 2yb","11","","","Molybdomenite","- O3 Pb Se -","- O3 Pb Se -","- O6 Pb2 Se2 -","2","0.5","","Pasero, M.; Rotiroti, N.","The crystal structure of molybdomenite, PbSeO3","Neues Jahrbuch fur Mineralogie, Monatshefte","2003","2003","","145","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009430","7.5","","8.06","","5.02","","90","","112","","90","","281.362","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","Yttrialite-(Y)","- O7 Si2 Y2 -","- O7 Si2 Y2 -","- O14 Si4 Y4 -","2","0.5","","Batalieva, N. G.; Pyatenko Yu, A.","Artificial yttrialite (gamma-phase) - a representative of a new structure type in the rare earth diorthosilicate series","Kristallografiya","1971","16","","905","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009444","6.954","","8.637","","5.771","","90","","104.93","","90","","334.915","","","","","","","","","","","","Kinta district, Perak, Malaysia","18","P 1 21/m 1","-P 2yb","11","","","Yttrotungstite-(Y)","- Al0.1 Ca0.04 Ce0.08 Dy0.05 Er0.04 Fe0.02 Gd0.04 H3 La0.01 Mg0.03 Nd0.09 O9 Pr0.01 Si0.04 Sm0.03 Tb0.01 W1.84 Y0.57 -","- Al0.1 Ca0.04 Ce0.08 Dy0.05 Er0.04 Fe0.02 Gd0.04 H3 La0.01 Mg0.03 Nd0.09 O9 Pr0.01 Si0.04 Sm0.03 Tb0.01 W1.84 Y0.57 -","- Al0.2 Ca0.08 Ce0.16 Dy0.1 Er0.08 Fe0.04 Gd0.08 H6 La0.02 Mg0.06 Nd0.18 O18 Pr0.02 Si0.08 Sm0.06 Tb0.02 W3.68 Y1.14 -","2","0.5","","Davis R J; Smith G W","Yttrotungstite","Mineralogical Magazine","1971","38","","261","285","10.1180/minmag.1971.038.295.01","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9009455","10.458","","5.75","","6.693","","90","","97.79","","90","","398.759","","","","","","","","","","","","Mendip Hills, Somerset, England","5","P 1 21/m 1","-P 2yb","11","","","Chloroxiphite","- Cl2 Cu H2 O4 Pb3 -","- Cl2 Cu H2 O4 Pb3 -","- Cl4 Cu2 H4 O8 Pb6 -","2","0.5","","Finney, J. J.; Graeber, E. J.; Rosenzweig, A.; Hamilton, R. D.","The structure of chloroxiphite, Pb3CuO2(OH)2Cl2","Mineralogical Magazine","1977","41","","357","361","10.1180/minmag.1977.041.319.07","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009456","6.807","","15.459","","6.811","","90","","97.76","","90","","710.154","","","","","","","","","","","","Killala Bay, Ireland","4","P 1 21/m 1","-P 2yb","11","","","Killalaite","- Ca6.43 H3.14 O17.14 Si4 -","- Ca6.43 H3.14 O17.14 Si4 -","- Ca12.86 H6.28 O34.28 Si8 -","2","0.5","","Taylor, H. F. W.","The crystal structure of killalaite","Mineralogical Magazine","1977","41","","363","369","10.1180/minmag.1977.041.319.08","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009458","18.079","","6.958","","11.443","","90","","107.71","","90","","1371.24","","","","","","","","","","","","Mt Princeton, Colorado, USA","4","P 1 21/m 1","-P 2yb","11","","","Kogarkoite","- F Na3 O4 S -","- F Na3 O4 S -","- F12 Na36 O48 S12 -","12","3","","Fanfani, L.; Giuseppetti, G.; Tadini, C.; Zanazzi, P. F.","The crystal structure of kogarkoite, Na3SO4F","Mineralogical Magazine","1980","43","","753","759","10.1180/minmag.1980.043.330.08","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009464","5.717","","6.126","","5.636","","90","","93.07","","90","","197.103","","","","","","","","","","","","Botallack mine, Cornwall, England","4","P 1 21/m 1","-P 2yb","11","","","Botallackite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl2 Cu4 H6 O6 -","2","0.5","","Hawthorne, F. C.","Refinement of the crystal structure of botallackite","Mineralogical Magazine","1985","49","","87","89","10.1180/minmag.1985.049.350.12","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009513","4.2023","","9.202","","16.6608","","90","","91.829","","90","","643.938","","","","","","","","","","","","Bounds Cliff, St Endellion, Cornwall","5","P 1 21/m 1","-P 2yb","11","","","Barstowite","- C H2 Cl6 O4 Pb4 -","- C H2 Cl6 O4 Pb4 -","- C2 H4 Cl12 O8 Pb8 -","2","0.5","","Steele, I. M.; Pluth, J. J.; Stanley, C. J.","Crystal structure of barstowite (3PbCl2PbCO3H2O)","Mineralogical Magazine","1999","63","","901","907","10.1180/minmag.1999.063.6.09","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009522","8.934","","5.718","","10.325","","90","","114.54","","90","","479.805","","","","","","","","","","","","Kalahari manganese fields, South Africa","8","P 1 21/m 1","-P 2yb","11","","","Tweddillite","- Al1.43 Ca Fe0.257 H Mn1.313 O13 Si3 Sr -","- Al1.43 Ca Fe0.25667 H Mn1.31333 O13 Si3 Sr -","- Al2.86 Ca2 Fe0.51334 H2 Mn2.62666 O26 Si6 Sr2 -","2","0.5","","Armbruster, T.; Gnos, E.; Dixon, R.; Gutzmer, J.; Hejny, C.; Dobelin, N.; Medenbach, O.","Manganvesuvianite and tweddillite, two new Mn3±silicate minerals from the Kalahari manganese fields, South Africa","Mineralogical Magazine","2002","66","","137","150","10.1180/0026461026610018","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009598","7.763","","6.046","","9.022","","90","","112.5","","90","","391.215","","","","","","","","","","","","Tsumeb, Namibia","6","P 1 21/m 1","-P 2yb","11","","","Arsenbrackebuschite","- As2 Fe0.65 H2.65 O9 Pb2 Zn0.35 -","- As2 Fe0.65 H1.35 O9 Pb2 Zn0.35 -","- As4 Fe1.3 H2.7 O18 Pb4 Zn0.7 -","2","0.5","","Hofmeister, W.; Tillmanns, E.","Strukturelle untersuchungen an arsenbrackebuschit","Tschermaks Mineralogische und Petrographische Mitteilungen","1978","25","","153","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009622","4.505","","5.333","","6.405","","90","","106.24","","90","","147.741","","","","","","","","","","","","Susanna mine, Leadhills, Lanarkshire, Scotland","3","P 1 21/m 1","-P 2yb","11","","","Scotlandite","- O3 Pb S -","- O3 Pb S -","- O6 Pb2 S2 -","2","0.5","","Pertlik, F.; Zemann, J.","The crystal structure of scotlandite, PbSO3","Tschermaks Mineralogische und Petrographische Mitteilungen","1985","34","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009660","9.8881","","14.404","","8.6848","","90","","124.271","","90","","1022.2","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","Phillipsite-K","- Al3.2 Ca0.78 H7.5 K1.22 Na0.41 O21.13 Si4.8 -","- Al3.2 Ca0.78 H10.26 K1.22 Na0.41 O21.13 Si4.8 -","- Al6.4 Ca1.56 H20.52 K2.44 Na0.82 O42.26 Si9.6 -","2","0.5","","Gualtieri, A. F.","Accuracy of XRPD QPA using the combined Rietveld-RIR method Locality: Vallerano, Rome, Italy","Journal of Applied Crystallography","2000","33","","267","278","10.1107/S002188989901643X","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009710","11.285","","8.244","","11.065","","90","","110.94","","90","","961.429","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu K2 O10 Si4 -","- Cu K2 O10 Si4 -","- Cu4 K8 O40 Si16 -","4","1","","Kawamura, K.; Iiyama, J. T.","Crystallochemistry and thermochemistry of sodipotassic copper silicate Na2-2xK2xCuSi4O10","Bulletin de Mineralogie","1981","104","","387","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009721","8.118","","16.819","","6.983","","90","","109.03","","90","","901.328","","","","","","","","","","","","Shinkolobwe, Shaba, Zaire","4","P 1 21/m 1","-P 2yb","11","","","Dumontite","- O21 P2 Pb2 U3 -","- O21 P2 Pb2 U3 -","- O42 P4 Pb4 U6 -","2","0.5","","Piret, P.; Piret-Meunier J","Nouvelle determination de la structure cristalline de la dumonite Pb2[(UO2)3O2(PO4)2]*5H2O","Bulletin de Mineralogie","1988","111","","439","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009822","9.701","","5.65","","4.69","","90","","102.65","","90","","250.822","","","","","","","","","","","","Leadhills, Scotland","5","P 1 21/m 1","-P 2yb","11","","","Linarite","- Cu H2 O6 Pb S -","- Cu H2 O6 Pb S -","- Cu2 H4 O12 Pb2 S2 -","2","0.5","","Effenberger, H.","Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite PbCu(OH)2(SO4)","Mineralogy and Petrology","1987","36","","3","12","10.1007/BF01164365","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9009823","9.922","","5.712","","9.396","","90","","101.96","","90","","520.954","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Schmiederite","- Cu2 H4 O11 Pb2 Se2 -","- Cu2 H4 O11 Pb2 Se2 -","- Cu4 H8 O22 Pb4 Se4 -","2","0.5","","Effenberger, H.","Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite PbCu(OH)2(SO4)","Mineralogy and Petrology","1987","36","","3","12","10.1007/BF01164365","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9009849","7.804","","5.89","","8.964","","90","","112.29","","90","","381.246","","","","","","","","","","","","oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia","6","P 1 21/m 1","-P 2yb","11","","","Arsentsumebite","- As Cu H O9 Pb2 S -","- As Cu H O9 Pb2 S -","- As2 Cu2 H2 O18 Pb4 S2 -","2","0.5","","Zubkova, N. V.; Pushcharovsky, D. Y.; Giester, G.; Tillmanns, E.; Pekov, I. V.; Kleimenov, D. A.","The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH) Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia","Mineralogy and Petrology","2002","75","","79","88","10.1007/s007100200016","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010277","8.8652","","5.5753","","10.1449","","90","","115.42","","90","","452.878","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca1.843 H O13 Si3 Sr0.157 -","- Al3 Ca1.843 H O13 Si3 Sr0.157 -","- Al6 Ca3.686 H2 O26 Si6 Sr0.314 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au32, X(Sr) = .078","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010278","8.8688","","5.5739","","10.1696","","90","","115.29","","90","","454.54","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca1.7 H O13 Si3 Sr0.3 -","- Al3 Ca1.7 H O13 Si3 Sr0.3 -","- Al6 Ca3.4 H2 O26 Si6 Sr0.6 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au45, X(Sr) = .15","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010279","8.8795","","5.5766","","10.1873","","90","","115.19","","90","","456.476","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca1.518 H O13 Si3 Sr0.482 -","- Al3 Ca1.518 H O13 Si3 Sr0.482 -","- Al6 Ca3.036 H2 O26 Si6 Sr0.964 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au31, X(Sr) = .233","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010280","8.8737","","5.5763","","10.2014","","90","","115.15","","90","","456.935","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca1.504 H O13 Si3 Sr0.496 -","- Al3 Ca1.504 H O13 Si3 Sr0.496 -","- Al6 Ca3.008 H2 O26 Si6 Sr0.992 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au35, X(Sr) = .248","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010281","8.8763","","5.5774","","10.2055","","90","","115.12","","90","","457.455","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca1.504 H O13 Si3 Sr0.496 -","- Al3 Ca1.504 H O13 Si3 Sr0.496 -","- Al6 Ca3.008 H2 O26 Si6 Sr0.992 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au34, X(Sr) = .248","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010282","8.874","","5.5767","","10.2189","","90","","115.1","","90","","457.954","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca1.416 H O13 Si3 Sr0.584 -","- Al3 Ca1.416 H O13 Si3 Sr0.584 -","- Al6 Ca2.832 H2 O26 Si6 Sr1.168 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Pt8, X(Sr) = .292","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010283","8.8796","","5.579","","10.2257","","90","","115.06","","90","","458.887","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca1.302 H O13 Si3 Sr0.699 -","- Al3 Ca1.301 H O13 Si3 Sr0.699 -","- Al6 Ca2.602 H2 O26 Si6 Sr1.398 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au42, X(Sr) = .37","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010284","8.8871","","5.5828","","10.2452","","90","","114.97","","90","","460.802","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca1.085 H O13 Si3 Sr0.915 -","- Al3 Ca1.085 H O13 Si3 Sr0.915 -","- Al6 Ca2.17 H2 O26 Si6 Sr1.83 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Pt35, X(Sr) = .458","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010285","8.8923","","5.5844","","10.2585","","90","","114.99","","90","","461.727","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al3 Ca0.974 H O13 Si3 Sr1.026 -","- Al3 Ca0.974 H O13 Si3 Sr1.026 -","- Al6 Ca1.948 H2 O26 Si6 Sr2.052 -","2","0.5","","Dorsam, G.; Liebscher, A.; Franz, G.; Gottschalk, M.","Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH solid solution series of zoisite and clinozoisite Sample: Run no. = Au43, X(Sr) = .513","American Mineralogist","2007","92","","1133","1147","10.2138/am.2007.2353","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010401","9.477","","6.205","","4.256","","90","","98.75","","90","","247.36","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Tschauner, O.; Kiefer, B.; Liu, H.; Sinogeikin, S.; Somayazulu, M.; Luo, S.-N.","Possible structural polymorphism in Al-bearing magnesiumsilicate post-perovskite Sample: 3X1","American Mineralogist","2008","93","","533","539","10.2138/am.2008.2372","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010402","7.026","","6.228","","4.262","","90","","95.85","","90","","185.525","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","1.5","","Tschauner, O.; Kiefer, B.; Liu, H.; Sinogeikin, S.; Somayazulu, M.; Luo, S.-N.","Possible structural polymorphism in Al-bearing magnesiumsilicate post-perovskite Sample: 2X1 Note: atom sites modified after communication with author","American Mineralogist","2008","93","","533","539","10.2138/am.2008.2372","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010742","8.7","","26.237","","8.774","","90","","119.653","","90","","1740.48","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","4","P 1 21/m 1","-P 2yb","11","","","Kirkiite","- As3 Bi2 Pb11 S19 -","- As3 Bi2 Pb11 S19 -","- As6 Bi4 Pb22 S38 -","2","0.5","","Pinto, D.; Balic-Zunic T; Garavelli, A.; Garbarino, C.; Makovicky, E.; Vurro, F.","First occurrence of close-to-ideal kirkiite at Vulcano (Aeolian Islands, Italy): chemical data and single-crystal X-ray study","European Journal of Mineralogy","2006","18","","393","401","10.1127/0935-1221/2006/0018-0393","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010749","8.901","","5.738","","10.068","","90","","113.425","","90","","471.832","","","","","","","","","","","","Praborna manganese mine, Saint-Marcel, Aosta valley, Alps, Italy","14","P 1 21/m 1","-P 2yb","11","","","Manganiandrosite-(Ce)","- Al Ca0.42 Ce0.46 Fe0.23 H La0.23 Mg0.04 Mn2.23 Nd0.12 O13 Si3 Sm0.01 Sr0.07 Ti0.1 -","- Al Ca0.42 Ce0.46 Fe0.23 H La0.23 Mg0.04 Mn2.23 Nd0.12 O13 Si3 Sm0.01 Sr0.07 Ti0.1 -","- Al2 Ca0.84 Ce0.92 Fe0.46 H2 La0.46 Mg0.08 Mn4.46 Nd0.24 O26 Si6 Sm0.02 Sr0.14 Ti0.2 -","2","0.5","","Cenki-Tok B; Ragu, A.; Armbruster, T.; Chopin, C.; Medenbach, O.","New Mn- and rare-earth-rich epidote-group minerals in metacherts: manganiandrosite-(Ce) and vanadoandrosite-(Ce)","European Journal of Mineralogy","2006","18","","569","582","10.1127/0935-1221/2006/0018-0569","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010750","8.856","","5.729","","10.038","","90","","113.088","","90","","468.496","","","","","","","","","","","","Vielle Aure mining district, central Pyrenees, France","15","P 1 21/m 1","-P 2yb","11","","","Vanadoandrosite-(Ce)","- Al1.16 Ca0.59 Ce0.39 Fe0.33 H La0.15 Mg0.03 Mn0.98 Nd0.1 O13 Si3 Sm0.02 Sr0.11 Ti0.01 V1.11 -","- Al1.16 Ca0.59 Ce0.39 Fe0.33 H La0.15 Mg0.03 Mn0.98 Nd0.1 O13 Si3 Sm0.02 Sr0.11 Ti0.01 V1.11 -","- Al2.32 Ca1.18 Ce0.78 Fe0.66 H2 La0.3 Mg0.06 Mn1.96 Nd0.2 O26 Si6 Sm0.04 Sr0.22 Ti0.02 V2.22 -","2","0.5","","Cenki-Tok B; Ragu, A.; Armbruster, T.; Chopin, C.; Medenbach, O.","New Mn- and rare-earth-rich epidote-group minerals in metacherts: manganiandrosite-(Ce) and vanadoandrosite-(Ce)","European Journal of Mineralogy","2006","18","","569","582","10.1127/0935-1221/2006/0018-0569","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010844","8.865","","5.717","","10.06","","90","","114.52","","90","","463.873","","","","","","","","","","","","Shodoshima Island, Kagawa Prefecture, western Japan","8","P 1 21/m 1","-P 2yb","11","","","Uedaite-(Ce)","- Al1.986 Ca0.35 Ce0.914 Fe1.1 H Mn0.65 O13 Si3 -","- Al1.986 Ca0.35 Ce0.914 Fe1.1 H Mn0.65 O13 Si3 -","- Al3.972 Ca0.7 Ce1.828 Fe2.2 H2 Mn1.3 O26 Si6 -","2","0.5","","Miyawaki, R.; Yokoyama, K.; Matsubara, S.; Tsutsumi, Y.; Goto, A.","Uedaite-(Ce), a new member of the epidote group with Mn at the A site, from Shodoshima, Kagawa Prefecture, Japan","European Journal of Mineralogy","2008","20","","261","269","10.1127/0935-1221/2008/0020-1783","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010960","8.899","","5.6836","","10.095","","90","","114.729","","90","","463.766","","","","","","","","","","","","Trimouns dolomite mine, France","13","P 1 21/m 1","-P 2yb","11","","","Dissakisite-(Ce)","- Al2.126 Ca1.113 Ce0.349 Fe0.238 Gd0.018 H La0.202 Mg0.661 Nd0.197 O13 Pr0.059 Si3 Sm0.035 -","- Al2.126 Ca1.113 Ce0.349 Fe0.238 Gd0.018 H La0.202 Mg0.661 Nd0.197 O13 Pr0.059 Si3 Sm0.035 -","- Al4.252 Ca2.226 Ce0.698 Fe0.476 Gd0.036 H2 La0.404 Mg1.322 Nd0.394 O26 Pr0.118 Si6 Sm0.07 -","2","0.5","","Hoshino, M.; Kimata, M.; Nishida, N.; Shimizu, M.","Crystal chemical significance of chemical zoning in dissakisite-(Ce)","Physics and Chemistry of Minerals","2008","35","","59","70","10.1007/s00269-007-0198-y","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9011090","21.4","","3.06","","5.88","","90","","98","","90","","381.299","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Fe7 O10 Si -","- Fe7 O10 Si -","- Fe14 O20 Si2 -","2","0.5","","Smuts, J.; Steyn, J. G. D.; Boeyens, J. C. A.","The crystal structure of an iron silicate, iscorite","Acta Crystallographica, Section B","1969","25","","1251","1255","10.1107/S0567740869003906","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011149","9.865","","14.3","","8.668","","90","","124.2","","90","","1011.35","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Phillipsite-Ca","- Al2.672 Ca0.82 H12 K O22 Si5.328 -","- Al2.672 Ca0.82 H12 K O22 Si5.328 -","- Al5.344 Ca1.64 H24 K2 O44 Si10.656 -","2","0.5","","Rinaldi, R.; Pluth, J. J.; Smith, J. V.","Zeolites of the phillipsite family. Refinement of the crystal structure of phillipsite and harmotome","Acta Crystallographica, Section B","1974","30","","2426","2433","10.1107/S0567740874007242","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011150","9.879","","14.139","","8.693","","90","","124.81","","90","","996.944","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Harmotome","- Al2.48 Ba Ca0.3 H12 O22 Si5.52 -","- Al2.48 Ba Ca0.3 H12 O22 Si5.52 -","- Al4.96 Ba2 Ca0.6 H24 O44 Si11.04 -","2","0.5","","Rinaldi, R.; Pluth, J. J.; Smith, J. V.","Zeolites of the phillipsite family. Refinement of the crystal structure of phillipsite and harmotome","Acta Crystallographica, Section B","1974","30","","2426","2433","10.1107/S0567740874007242","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011195","5.408","","9.278","","4.2545","","90","","93.45","","90","","213.084","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- O5 Se U -","- O5 Se U -","- O10 Se2 U2 -","2","0.5","","Loopstra, B. O.; Brandenburg, N. P.","Uranyl selenite and uranyl tellurite","Acta Crystallographica, Section B","1978","34","","1335","1337","10.1107/S056774087800549X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011202","189.8","","4.09","","74.06","","90","","11.93","","90","","11884.4","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","Cannizzarite","- Bi54 Pb46 S127 -","- Bi55 Pb45 S127 -","- Bi110 Pb90 S254 -","2","0.5","","Matzat, E.","Cannizzarite Locality: Vulcano, Italy","Acta Crystallographica, Section B","1979","35","1","133","136","10.1107/S0567740879002715","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011214","4.794","","6.925","","5.307","","90","","93.55","","90","","175.846","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- As O4 Sb -","- As O4 Sb -","- As2 O8 Sb2 -","2","0.5","","Jones, P. G.; Sheldrick, G. M.; Schwarzmann, E.","Antimony(III) arsenic(V) oxide","Acta Crystallographica, Section B","1980","36","","1923","1925","10.1107/S0567740880007492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011299","10.0507","","14.2016","","8.7281","","90","","125.123","","90","","1018.97","","","","","","","","","","","","Vallerano, Rome, Italy","6","P 1 21/m 1","-P 2yb","11","","","","- Al3 H21.52 N2.38 Na0.26 O20.64 Si5 -","- Al3 H18.8 N2.38 Na0.26 O20.64 Si5 -","- Al6 H37.6 N4.76 Na0.52 O41.28 Si10 -","2","0.5","","Gualtieri, A. F.","Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 1","Acta Crystallographica, Section B","2000","56","4","584","593","10.1107/S0108768100002032","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011300","10.0122","","14.1943","","8.7284","","90","","125.024","","90","","1015.82","","","","","","","","","","","","Perrier, Puy du Dome, France","6","P 1 21/m 1","-P 2yb","11","","","","- Al2.2 H20.08 N2.02 Na0.2 O20.74 Si5.8 -","- Al2.2 H17.56 N2.02 Na0.2 O20.74 Si5.8 -","- Al4.4 H35.12 N4.04 Na0.4 O41.48 Si11.6 -","2","0.5","","Gualtieri, A. F.","Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 2","Acta Crystallographica, Section B","2000","56","4","584","593","10.1107/S0108768100002032","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011301","9.9596","","14.2015","","8.7051","","90","","124.99","","90","","1008.71","","","","","","","","","","","","Monte Lungo, M. Berici, Vicenza, Italy","6","P 1 21/m 1","-P 2yb","11","","","","- Al1.9 H18.8 N1.7 Na0.2 O21.18 Si6.1 -","- Al1.9 H17.16 N1.7 Na0.2 O21.18 Si6.1 -","- Al3.8 H34.32 N3.4 Na0.4 O42.36 Si12.2 -","2","0.5","","Gualtieri, A. F.","Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 3","Acta Crystallographica, Section B","2000","56","4","584","593","10.1107/S0108768100002032","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011789","7.85","","5.8","","8.7","","90","","111","","90","","369.801","","","","","","","","","","","","Tsumeb, South West Africa","6","P 1 21/m 1","-P 2yb","11","","","Tsumebite","- Cu2 H O9 P Pb2 S -","- Cu2 H O9 P Pb2 S -","- Cu4 H2 O18 P2 Pb4 S2 -","2","0.5","","Fanfani, L.; Zanazzi, P. F.","Structural similarities of some secondary lead minerals Note: coordinates of O atoms are from arsentsumebite","Mineralogical Magazine","1967","36","","522","529","10.1180/minmag.1967.036.280.06","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011824","31.066","","17.303","","7.043","","90","","96.492","","90","","3761.58","","","","","","","","","","","","Michael Mine, Weiler, Lahr, Black Forest, Baden-Wurttemburg, Germany","5","P 1 21/m 1","-P 2yb","11","","","Hugelite","- As2 H10 O21 Pb2 U3 -","- As2 H10 O21 Pb2 U3 -","- As16 H80 O168 Pb16 U24 -","8","2","","Locock, A. J.; Burns, P. C.","The structure of hugelite, an arsenate of the phosphuranylite group, and its relationship to dumontite Locality: Michael Mine, Weiler, Lahr, Black Forest, Baden-Wurttemburg, Germany Note: x(O11) corrected","Mineralogical Magazine","2003","67","","1109","1120","10.1180/0026461036750146","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011899","8.997","","6.741","","5.163","","90","","90.16","","90","","313.128","","","","","","","","","","","","","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","","Kurova, T. A.; Shumyatskaya, N. G.; Voronkov, A. A.; Pyatenko, Y. A.","Crystal structure of sidorenkite Na3Mn(PO4)(CO3)","Soviet Physics Doklady","1980","25","","156","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012089","7.202","","7.214","","5.734","","90","","113.23","","90","","273.759","","","","","","","","","","","","Cetine mine, Tuscany, Italy","6","P 1 21/m 1","-P 2yb","11","","","Uklonskovite","- F H4 Mg Na O6 S -","- F H4 Mg Na O6 S -","- F2 H8 Mg2 Na2 O12 S2 -","2","0.5","","Sabelli, C.","Uklonskovite, NaMg(SO4)F*2H2O: new mineralogical data and structure refinement Locality: Cetine mine, Tuscany, Italy","Bulletin de Mineralogie","1985","108","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012102","7.98","","8.1","","7.14","","90","","101","","90","","453.036","","","","","","","","","","","","Synthetic","2","P 1 21/m 1","-P 2yb","11","","","Uzonite","- As4 S5 -","- As4 S5 -","- As8 S10 -","2","0.5","","Whitfield, H. J.","Crystal and molecular structure of tetraarsenic pentasulphide","Dalton Transactions","1973","1973","","1740","1742","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012339","5.451","","6.847","","5.473","","90","","116.34","","90","","183.061","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","Nahpoite","- H Na2 O4 P -","- H Na2 O4 P -","- H2 Na4 O8 P2 -","2","0.5","","Wiench, D. M.; Jansen, M.","Kristallstruktur von wasserfreiem Na2HPO4","Zeitschrift fur Anorganische und Allgemeine Chemie","1983","501","","95","101","10.1002/zaac.19835010611","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012399","5.543","","21.995","","6.079","","90","","92.04","","90","","740.672","","","","","","","","","","","","Lavrion mining district, Attica peninsula, Greece","5","P 1 21/m 1","-P 2yb","11","","","Niedermayrite","- Cd Cu4 H14 O18 S2 -","- Cd Cu4 H14 O18 S2 -","- Cd2 Cu8 H28 O36 S4 -","2","0.5","","Giester, G.; Rieck, B.; Brandstatter, F.","Niedermayrite, Cu4Cd(SO4)2(OH)6*4H2O, a new mineral from the Lavrion Mining District, Greece Locality: Lavrion mining district, Attica peninsula, Greece","Mineralogy and Petrology","1998","63","","19","34","10.1007/BF01162766","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012400","9.2","","12.369","","5.003","","90","","100.21","","90","","560.3","","","","","","","","","","","","Spring Creek copper mine, southern Flinders Ranges, South Australia","6","P 1 21/m 1","-P 2yb","11","","","Johntomaite","- Ba Ca0.3 Fe3.7 H3 O15 P3 -","- Ba Ca0.3 Fe3.7 H3 O15 P3 -","- Ba2 Ca0.6 Fe7.4 H6 O30 P6 -","2","0.5","","Kolitsch, U.; Pring, A.; Tiekink, E. R. T.","Johntomaite, a new member of the bjarebyite group of barium phosphates: description and structure refinement Locality: Spring Creek copper mine, southern Flinders Ranges, South Australia","Mineralogy and Petrology","2000","70","","1","14","10.1007/s007100070009","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012765","10.564","","6.911","","5.194","","90","","102.78","","90","","369.808","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Darapskite","- H2 N Na3 O8 S -","- H2 N Na3 O8 S -","- H4 N2 Na6 O16 S2 -","2","0.5","","Sabelli, C.","La struttura della darapskite","Atti della Accademia Nazionale dei Lincei","1967","42","","874","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012774","13.396","","5.111","","6.672","","90","","106.628","","90","","437.709","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Kukharenkoite-(La)","- C3 Ba2 F La O9 -","- C3 Ba2 F La O9 -","- C6 Ba4 F2 La2 O18 -","2","0.5","","Krivovichev, S. V.; Armbruster, T.; Pekov, I. V.","Cation frameworks in structure of natural fluocarbonates of barium and rare-earth elements: crystal structure of kukharenkoite-(La), Ba2(La,Ce)(CO3)3F","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2003","","","65","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012867","7.231","","5.734","","8.263","","90","","112.57","","90","","316.365","","","","","","","","","","","","Dora Maira massif, western Alps, Italy","5","P 1 21/m 1","-P 2yb","11","","","Bearthite","- Al Ca2 H O9 P2 -","- Al Ca2 H O9 P2 -","- Al2 Ca4 H2 O18 P4 -","2","0.5","","Chopin, C.; Brunet, F.; Gebert, W.; Medenbach, O.; Tillmanns, E.","Bearthite, Ca2Al[PO4]2(OH), a new mineral from high-pressure terranes of the western Alps","Schweizerische Mineralogische und Petrographische Mitteilungen","1993","73","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9012901","7.759","","5.782","","8.775","","90","","111.97","","90","","365.08","","","","","","","","","","","","Berezov gold ore deposit, Middle Urals, Russia","8","P 1 21/m 1","-P 2yb","11","","","Bushmakinite","- Al0.74 Cr0.26 Cu0.26 H O9 P1.22 Pb2 V0.52 -","- Al0.74 Cr0.26 Cu0.26 H O9 P1.22 Pb2 V0.52 -","- Al1.48 Cr0.52 Cu0.52 H2 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](OH)} Note: O2z changed to reproduce its bond lengths","Doklady Earth Sciences","2002","382","","100","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013280","8.959","","6.072","","10.218","","90","","110.75","","90","","519.794","","","","","","","","","","","","Manganese Lake, Copper Harbor, Keweenaw County, Michigan","9","P 1 21/m 1","-P 2yb","11","","","Macfallite","- Al0.27 Ca2 Cu0.03 H3 Mg0.09 Mn2.511 O14 Si3 V0.009 -","- Al0.27 Ca2 Cu0.03 H3 Mg0.09 Mn2.511 O14 Si3 V0.009 -","- Al0.54 Ca4 Cu0.06 H6 Mg0.18 Mn5.022 O28 Si6 V0.018 -","2","0.5","","Nagashima, M.; Rahmoun, N. S.; Alekseev, E. V.; Geiger, C. A.; Armbruster, T.; Akasaka, M.","Crystal chemistry of macfallite: Relationships to sursassite and pumpellyite","American Mineralogist","2008","93","","1851","1857","10.2138/am.2008.2935","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9013289","8.971","","5.766","","10.224","","90","","114.53","","90","","481.122","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.078 Ca0.606 Ce0.774 Fe0.159 Mn2.383 O13 Si3 -","- Al1.0776 Ca0.6065 Ce0.7742 Fe0.15852 Mn2.38318 O13 Si3 -","- Al2.1552 Ca1.213 Ce1.5484 Fe0.31704 Mn4.76636 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K1 sample","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013290","8.943","","5.768","","10.195","","90","","114.42","","90","","478.844","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.138 Ca0.646 Ce0.735 Fe0.153 Mn2.326 O13 Si3 -","- Al1.13838 Ca0.64642 Ce0.7353 Fe0.15348 Mn2.32642 O13 Si3 -","- Al2.27676 Ca1.29284 Ce1.4706 Fe0.30696 Mn4.65284 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K2 sample","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013291","8.958","","5.764","","10.205","","90","","114.5","","90","","479.48","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.116 Ca0.604 Ce0.747 Fe0.143 Mn2.391 O13 Si3 -","- Al1.11588 Ca0.6041 Ce0.74692 Fe0.14258 Mn2.39052 O13 Si3 -","- Al2.23176 Ca1.2082 Ce1.49384 Fe0.28516 Mn4.78104 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K4 sample","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013292","8.953","","5.763","","10.186","","90","","114.42","","90","","478.542","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.08 Ca0.7 Ce0.78 Fe0.14 Mn2.3 O13 Si3 -","- Al1.08 Ca0.7 Ce0.78 Fe0.14 Mn2.3 O13 Si3 -","- Al2.16 Ca1.4 Ce1.56 Fe0.28 Mn4.6 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K5 sample","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013293","8.95","","5.77","","10.194","","90","","114.42","","90","","479.338","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.081 Ca0.701 Ce0.787 Fe0.123 Mn2.308 O13 Si3 -","- Al1.08066 Ca0.70106 Ce0.7872 Fe0.1233 Mn2.30778 O13 Si3 -","- Al2.16132 Ca1.40212 Ce1.5744 Fe0.2466 Mn4.61556 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K5-600 sample, annealing under inert temperature","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013294","8.925","","5.744","","10.158","","90","","114.46","","90","","474.015","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","8","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.08 Ca0.7 Ce0.78 Fe0.14 H Mn2.3 O13 Si3 -","- Al1.08 Ca0.7 Ce0.78 Fe0.14 H Mn2.3 O13 Si3 -","- Al2.16 Ca1.4 Ce1.56 Fe0.28 H2 Mn4.6 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K5-700 sample, annealing ex situ under inert atmosphere","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013295","8.922","","5.717","","10.272","","90","","115.24","","90","","473.923","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.113 Ca1.151 Ce0.241 Fe0.172 Mn2.323 O13 Si3 -","- Al1.11284 Ca1.15104 Ce0.24112 Fe0.17158 Mn2.32342 O13 Si3 -","- Al2.22568 Ca2.30208 Ce0.48224 Fe0.34316 Mn4.64684 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K3-550 sample","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013296","8.908","","5.711","","10.314","","90","","115.38","","90","","474.068","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.118 Ca1.221 Ce0.233 Fe0.186 Mn2.242 O13 Si3 -","- Al1.11832 Ca1.22056 Ce0.23288 Fe0.18596 Mn2.24228 O13 Si3 -","- Al2.23664 Ca2.44112 Ce0.46576 Fe0.37192 Mn4.48456 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K3-600 sample","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013297","8.891","","5.696","","10.35","","90","","115.35","","90","","473.685","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.059 Ca1.43 Ce0.188 Fe0.265 Mn2.059 O13 Si3 -","- Al1.05888 Ca1.4296 Ce0.18754 Fe0.26452 Mn2.05946 O13 Si3 -","- Al2.11776 Ca2.8592 Ce0.37508 Fe0.52904 Mn4.11892 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K3-700 sample","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013298","8.894","","5.699","","10.368","","90","","115.69","","90","","473.575","","","","","","","","","","","","Kesebol, Vastra Gotaland, Sweden","7","P 1 21/m 1","-P 2yb","11","","","Allanite-subgroup mineral","- Al1.064 Ca0.888 Ce0.834 Fe0.391 Mn1.822 O13 Si3 -","- Al1.0644 Ca0.88796 Ce0.83422 Fe0.39126 Mn1.82216 O13 Si3 -","- Al2.1288 Ca1.77592 Ce1.66844 Fe0.78252 Mn3.64432 O26 Si6 -","2","0.5","","Bonazzi, P.; Holtstam, D.; Bindi, L.; Nysten, P.; Capitani, G.","Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland, Sweden Note: K3-800 sample","American Mineralogist","2009","94","","121","134","10.2138/am.2009.2998","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013300","9.9238","","14.3145","","8.7416","","90","","124.92","","90","","1018.2","","","","298","","","","","","","","""Newer Volcanic Suite,"" Richmond, Melbourne, Victoria, Australia","7","P 1 21/m 1","-P 2yb","11","","","Phillipsite","- Al1.5 Ca0.16 H8 K0.44 Na0.36 O10.962 Si2.5 -","- Al1.5 Ca0.16 H5.924 K0.44 Na0.36 O10.962 Si2.5 -","- Al6 Ca0.64 H23.696 K1.76 Na1.44 O43.848 Si10 -","4","1","","Gatta, G. D.; Cappelletti, P.; Rotiroti, N.; Slebodnick, C.; Rinaldi, R.","New insights into the crystal structure and crystal chemistry of the zeolite phillipsite Note: T = 298 K Note: Chemistry and structural occupancy are not consistent","American Mineralogist","2009","94","","190","199","10.2138/am.2009.3032","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013301","9.8511","","14.2476","","8.6422","","90","","124.319","","90","","1001.81","","","","100","","","","","","","","""Newer Volcanic Suite,"" Richmond, Melbourne, Victoria, Australia","7","P 1 21/m 1","-P 2yb","11","","","Phillipsite","- Al1.5 Ca0.175 H6 K0.435 Na0.395 O10.743 Si2.5 -","- Al1.5 Ca0.175 H5.486 K0.4355 Na0.395 O10.743 Si2.5 -","- Al6 Ca0.7 H21.944 K1.742 Na1.58 O42.972 Si10 -","4","1","","Gatta, G. D.; Cappelletti, P.; Rotiroti, N.; Slebodnick, C.; Rinaldi, R.","New insights into the crystal structure and crystal chemistry of the zeolite phillipsite Note: T = 100 K Note: Chemistry and structural occupancy are not consistent","American Mineralogist","2009","94","","190","199","10.2138/am.2009.3032","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9013390","8.697","","5.787","","9.769","","90","","108.91","","90","","465.133","","","","","","","","","","","","Lienne syncline, Stravelot Massif, Belgium","6","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al2.89 Ca0.21 H3 Mn1.9 O14 Si3 -","- Al2.89 Ca0.21 H3 Mn1.9 O14 Si3 -","- Al5.78 Ca0.42 H6 Mn3.8 O28 Si6 -","2","0.5","","Hatert, F.; Fransolet, A. M.; Wouters, J.; Bernhardt, H. J.","The crystal structure of sursassite from the Lienne Valley, Stavelot Massif, Belgium","European Journal of Mineralogy","2008","20","","993","998","10.1127/0935-1221/2008/0020-1890","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013465","8.092","","5.2344","","6.544","","90","","106.05","","90","","266.378","","","","","","","","","","","","Cumberland, England","4","P 1 21/m 1","-P 2yb","11","","","Barytocalcite","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C4 Ba2 Ca2 O12 -","2","0.5","","Dickens, B.; Bowen, J. S.","The crystal structure of BaCa(CO3)2 (barytocalcite)","Journal of Research of the National Bureau of Standards - Physics and Chemistry","1971","","","197","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013494","8.928","","5.652","","10.244","","90","","114.46","","90","","470.53","","","","","","","","","","","","Ananai mine, Kochi Prefecture, Japan","8","P 1 21/m 1","-P 2yb","11","","","Epidote-(Sr)","- Al1.92 Ca1.1 Fe0.88 H Mn0.2 O13 Si3 Sr0.9 -","- Al1.92 Ca1.1 Fe0.88 H Mn0.2 O13 Si3 Sr0.9 -","- Al3.84 Ca2.2 Fe1.76 H2 Mn0.4 O26 Si6 Sr1.8 -","2","0.5","","Minakawa, T.; Fukushima, H.; Nishio-Hamane D; Miura, H.","Epidote-(Sr), CaSrAl2Fe(Si2O7)(SiO4)(OH), a new mineral from the Ananai mine, Kochi Prefecture, Japan Locality: Ananai mine, Kochi Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2008","103","","400","406","10.2465/jmps.071220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013682","8.8889","","5.6058","","10.1513","","90","","115.284","","90","","457.375","","","","973.15","","","","1200000","","synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Locality: synthetic Note: T = 700 C","synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Locality: synthetic Note: T = 700 C, P = 1.2 GPa","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.38 Ca2 Cr0.62 O13 Si3 -","- Al2.38 Ca2 Cr0.62 O13 Si3 -","- Al4.76 Ca4 Cr1.24 O26 Si6 -","2","0.5","","Nagashima, M.; Geiger, C. A.; Akasaka, M.","A crystal-chemical investigation of clinozoisite synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)","American Mineralogist","2009","94","","1351","1360","10.2138/am.2009.3183","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013683","8.8859","","5.6006","","10.15","","90","","115.322","","90","","456.595","","","","973.15","","","","1200000","","synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Note: T = 700 C","synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Note: T = 700 C, P = 1.2 GPa","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.5 Ca2 Cr0.5 O13 Si3 -","- Al2.5 Ca2 Cr0.5 O13 Si3 -","- Al5 Ca4 Cr O26 Si6 -","2","0.5","","Nagashima, M.; Geiger, C. A.; Akasaka, M.","A crystal-chemical investigation of clinozoisite synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Note: T = 700 C, P = 1.2 GPa","American Mineralogist","2009","94","","1351","1360","10.2138/am.2009.3183","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013684","8.8814","","5.6022","","10.148","","90","","115.32","","90","","456.412","","","","873.15","","","","1200000","","synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Locality: synthetic Note: T = 600 C","synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Locality: synthetic Note: T = 600 C, P = 1.2 GPa","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.51 Ca2 Cr0.49 O13 Si3 -","- Al2.51 Ca2 Cr0.49 O13 Si3 -","- Al5.02 Ca4 Cr0.98 O26 Si6 -","2","0.5","","Nagashima, M.; Geiger, C. A.; Akasaka, M.","A crystal-chemical investigation of clinozoisite synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)","American Mineralogist","2009","94","","1351","1360","10.2138/am.2009.3183","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013685","8.8806","","5.5973","","10.1465","","90","","115.312","","90","","455.934","","","","973.15","","","","1200000","","synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Locality: synthetic Note: T = 700 C","synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Locality: synthetic Note: T = 700 C, P = 1.2 GPa","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.72 Ca2 Cr0.28 O13 Si3 -","- Al2.72 Ca2 Cr0.28 O13 Si3 -","- Al5.44 Ca4 Cr0.56 O26 Si6 -","2","0.5","","Nagashima, M.; Geiger, C. A.; Akasaka, M.","A crystal-chemical investigation of clinozoisite synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)","American Mineralogist","2009","94","","1351","1360","10.2138/am.2009.3183","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013689","8.7201","","5.8053","","9.8075","","90","","109.011","","90","","469.403","","","","","","","","","","","","Falotta, Switzerland","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al3 H3 Mn2 O14 Si3 -","- Al3 H3 Mn2 O14 Si3 -","- Al6 H6 Mn4 O28 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.; Minakawa, T.; Libowitzky, E.; Armbruster, T.","Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 1","American Mineralogist","2009","94","","1440","1449","10.2138/am.2009.3223","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013690","8.709","","5.7939","","9.779","","90","","108.953","","90","","466.688","","","","","","","","","","","","New Brunswick, Canada","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al3 H3 Mn2 O14 Si3 -","- Al3 H3 Mn2 O14 Si3 -","- Al6 H6 Mn4 O28 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.; Minakawa, T.; Libowitzky, E.; Armbruster, T.","Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 2","American Mineralogist","2009","94","","1440","1449","10.2138/am.2009.3223","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013691","8.7278","","5.8065","","9.8121","","90","","109.06","","90","","469.996","","","","","","","","","","","","Kamisugai, Japan","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al3 H3 Mn2 O14 Si3 -","- Al3 H3 Mn2 O14 Si3 -","- Al6 H6 Mn4 O28 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.; Minakawa, T.; Libowitzky, E.; Armbruster, T.","Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 3","American Mineralogist","2009","94","","1440","1449","10.2138/am.2009.3223","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013692","8.7065","","5.7978","","9.7946","","90","","108.938","","90","","467.655","","","","","","","","","","","","Kamogawa, Japan","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al3 H3 Mn2 O14 Si3 -","- Al3 H3 Mn2 O14 Si3 -","- Al6 H6 Mn4 O28 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.; Minakawa, T.; Libowitzky, E.; Armbruster, T.","Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 4","American Mineralogist","2009","94","","1440","1449","10.2138/am.2009.3223","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013693","8.6982","","5.7887","","9.7777","","90","","108.918","","90","","465.726","","","","","","","","","","","","Molinello, Italy","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al3 H3 Mn2 O14 Si3 -","- Al3 H3 Mn2 O14 Si3 -","- Al6 H6 Mn4 O28 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.; Minakawa, T.; Libowitzky, E.; Armbruster, T.","Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 5","American Mineralogist","2009","94","","1440","1449","10.2138/am.2009.3223","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013694","8.716","","5.799","","9.794","","90","","108.985","","90","","468.101","","","","","","","","","","","","Molinello, Italy","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al3 H3 Mn2 O14 Si3 -","- Al3 H3 Mn2 O14 Si3 -","- Al6 H6 Mn4 O28 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.; Minakawa, T.; Libowitzky, E.; Armbruster, T.","Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 6","American Mineralogist","2009","94","","1440","1449","10.2138/am.2009.3223","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013695","8.715","","5.7981","","9.798","","90","","108.879","","90","","468.463","","","","","","","","","","","","Gambatesa, Italy","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al3 H3 Mn2 O14 Si3 -","- Al3 H3 Mn2 O14 Si3 -","- Al6 H6 Mn4 O28 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.; Minakawa, T.; Libowitzky, E.; Armbruster, T.","Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 7","American Mineralogist","2009","94","","1440","1449","10.2138/am.2009.3223","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013792","9.682","","5.646","","4.683","","90","","102.66","","90","","249.77","","","","","","","","","","","","Leadhills, Lanarkshire, Scotland","5","P 1 21/m 1","-P 2yb","11","","","Linarite","- Cu H2 O6 Pb S -","- Cu2 H4 O12 Pb2 S2 -","- Cu2 H4 O12 Pb2 S2 -","","","","Schofield, P. F.; Wilson, C. C.; Knight, K. S.; Kirk, C. A.","Proton location and hydrogen bonding in the hydrous lead copper sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6","The Canadian Mineralogist","2009","47","","649","662","10.3749/canmin.47.3.649-662","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013815","6.845","","5.626","","8.819","","90","","109.33","","90","","320.474","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","","- Ba Na O7 Sc Si2 -","- Ba2 Na2 O14 Sc2 Si4 -","- Ba2 Na2 O14 Sc2 Si4 -","","","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","The crystal structures of three new complex silicates of sandium","The Canadian Mineralogist","2010","48","","51","68","10.3749/canmin.48.1.51","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013833","6.6599","","23.7225","","7.0225","","90","","91.81","","90","","1108.93","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H18 K Na3 O23.28 Si8 Sr -","- H8.56 K Na3 O23.28 Si8 Sr -","- H17.12 K2 Na6 O46.56 Si16 Sr2 -","2","0.5","","Cadoni, M.; Ferraris, G.","Two new members of the rhodesite mero-plesiotype series close to delhayelite and hydrodelhayelite: synthesis and crystal structure Note: Sample TRO4 Note: cell parameters, occupancy and positional parameters corrected by author","European Journal of Mineralogy","2009","21","","485","493","10.1127/0935-1221/2009/0021-1918","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014061","6.722","","5.437","","3.555","","90","","93","","90","","129.748","","","","","","","","","","","","Fuka, Okayama Prefecture, Japan","4","P 1 21/m 1","-P 2yb","11","","","Parasibirskite","- B Ca H O3 -","- B Ca H O3 -","- B2 Ca2 H2 O6 -","2","0.5","","Takahashi, R.; Kusachi, I.; Miura, H.","Crystal structure of parasibirskite (CaHBO3) and polymorphism in sibirskite and parasibirskite","Journal of Mineralogical and Petrological Sciences","2010","105","","70","73","10.2465/jmps.091015b","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014075","5.351","","13.2073","","5.8443","","90","","124.17","","90","","341.731","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca0.59 H4 O10 Si2 Sr0.41 -","- Al2 Ca0.59 H4 O10 Si2 Sr0.41 -","- Al4 Ca1.18 H8 O20 Si4 Sr0.82 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU87","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014101","8.8817","","5.6543","","10.163","","90","","115.435","","90","","460.914","","","","","","","","","","","","Synthetic","7","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3 -","- Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3 -","- Al4.16 Ca4 Fe0.78 H2 Mn1.06 O26 Si6 -","2","0.5","","Nagashima, M.; Akasada, M.","X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 22","American Mineralogist","2010","95","","1237","1246","10.2138/am.2010.3418","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014153","6.6994","","5.4269","","3.5534","","90","","93.048","","90","","129.008","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","Parasibirksite","- B Ca H O3 -","- B2 Ca2 H2 O6 -","- B2 Ca2 H2 O6 -","","","","Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.","Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K","The Canadian Mineralogist","2011","49","","823","834","10.3749/canmin.49.3.823","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014211","5.846","","6.613","","6.697","","90","","99.44","","90","","255.397","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","","- Cd Cu H3 N O6 -","- Cd2 Cu2 H6 N2 O12 -","- Cd2 Cu2 H6 N2 O12 -","","","","Effenberger, H.","CdCu(OH)3(NO3), a new layer compound","Zeitschrift fur Kristallographie","2002","19","","85","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014266","5.3849","","13.2377","","5.8489","","90","","124.35","","90","","344.221","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Itoigawaite","- Al2 Ca0.375 H4 O10 Si2 Sr0.625 -","- Al2 Ca0.375 H4 O10 Si2 Sr0.625 -","- Al4 Ca0.75 H8 O20 Si4 Sr1.25 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU47","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014379","5.4205","","13.2735","","5.8573","","90","","124.43","","90","","347.6","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Itoigawaite","- Al2 Ca0.034 H4 O10 Si2 Sr0.966 -","- Al2 Ca0.034 H4 O10 Si2 Sr0.966 -","- Al4 Ca0.068 H8 O20 Si4 Sr1.932 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU92","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014500","5.4194","","13.2737","","5.8575","","90","","124.42","","90","","347.588","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Itoigawaite","- Al2 Ca0.04 H4 O10 Si2 Sr0.96 -","- Al2 Ca0.04 H4 O10 Si2 Sr0.96 -","- Al4 Ca0.08 H8 O20 Si4 Sr1.92 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU88","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014525","8.8673","","5.6747","","10.1594","","90","","114.719","","90","","464.371","","","","","","","","","","","","Kamisugai mine, Sambagawa metamorphic belt, Shikoku, Japan","11","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.83 Ca1.3 Ce0.05 Fe1.11 H0.87 La0.03 Mn1.13 Nd0.02 O12.87 Si3 Sr0.19 -","- Al3.66 Ca2.6 Ce0.1 Fe2.22 H1.74 La0.06 Mn2.26 Nd0.04 O25.74 Si6 Sr0.38 -","- Al3.66 Ca2.6 Ce0.1 Fe2.22 H1.74 La0.06 Mn2.26 Nd0.04 O25.74 Si6 Sr0.38 -","","","","Nagashima, M.; Armbruster, T.; Akasaka, M.; Minakawa, T.","Crystal chemistry of Mn2±, Sr-rich and REE-bearing piemontite from the Kamisugai mine in the Sambagawa metamorphic belt, Shikoku, Japan","Journal of Mineralogical and Petrological Sciences","2010","105","","142","150","10.2465/jmps.090709","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014584","9.2425","","12.47","","5.002","","90","","100.19","","90","","567.407","","","","","","","","","","","","Spring Creek copper mine, near Wilmington, South Australia","11","P 1 21/m 1","-P 2yb","11","","","Perloffite","- Al0.06 Ba0.97 Ca0.04 Fe2.7 H3 Mg0.04 Mn1.14 Na0.02 O15 P3 Sr0.03 -","- Al0.12 Ba1.94 Ca0.08 Fe5.4 H6 Mg0.08 Mn2.28 Na0.04 O30 P6 Sr0.06 -","- Al0.12 Ba1.94 Ca0.08 Fe5.4 H6 Mg0.08 Mn2.28 Na0.04 O30 P6 Sr0.06 -","","","","Elliott, P.; Willis, A. C.","The crystal structure of perloffite","Mineralogical Magazine","2011","75","","317","325","10.1180/minmag.2011.075.2.317","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014635","5.377","","12.1172","","6.79","","90","","106.5","","90","","424.179","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba O10 Si3 Yb2 -","- Ba2 O20 Si6 Yb4 -","- Ba2 O20 Si6 Yb4 -","","","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014712","9.9904","","5.9934","","5.5255","","90","","97.428","","90","","328.071","","","","","","","","","","","","Copper Creek, Pinal County, Arizona, USA","4","P 1 21/m 1","-P 2yb","11","","","Markascherite","- Cu3 H8 Mo O8 -","- Cu3 H8 Mo O8 -","- Cu6 H16 Mo2 O16 -","2","0.5","","Yang, H.; Jenkins, R. A.; Thompson, R. M.; Downs, R. T.; Evans, S. H.; Bloch, E. M.","Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite, from Copper Creek, Pinal County, Arizona, U.S.A.","American Mineralogist","2012","97","","197","202","10.2138/am.2012.3895","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014770","5.3962","","13.2461","","5.8505","","90","","124.39","","90","","345.092","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Itoigawaite","- Al2 Ca0.273 H4 O10 Si2 Sr0.727 -","- Al2 Ca0.273 H4 O10 Si2 Sr0.727 -","- Al4 Ca0.546 H8 O20 Si4 Sr1.454 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU91","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014786","5.364","","13.2175","","5.8452","","90","","124.25","","90","","342.553","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca0.507 H4 O10 Si2 Sr0.493 -","- Al2 Ca0.507 H4 O10 Si2 Sr0.493 -","- Al4 Ca1.014 H8 O20 Si4 Sr0.986 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU82","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014839","5.3032","","13.174","","5.8436","","90","","123.76","","90","","339.416","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca0.79 H4 O10 Si2 Sr0.21 -","- Al2 Ca0.79 H4 O10 Si2 Sr0.21 -","- Al4 Ca1.58 H8 O20 Si4 Sr0.42 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: run #AU63","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014847","9.1381","","15.0098","","15.1732","","90","","91.171","","90","","2080.74","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","","- Cs2 H9.5 O37.75 Se4 U7 -","- Cs2 H9.5 O37.75 Se4 U7 -","- Cs4 H19 O75.5 Se8 U14 -","2","0.5","","Wylie, E. M.; Burns, P. C.","Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 4","The Canadian Mineralogist","2012","50","","147","157","10.3749/canmin.50.1.147","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014853","5.33","","13.1956","","5.8449","","90","","123.96","","90","","340.967","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca0.68 H4 O10 Si2 Sr0.32 -","- Al2 Ca0.68 H4 O10 Si2 Sr0.32 -","- Al4 Ca1.36 H8 O20 Si4 Sr0.64 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014961","6.4235","","5.5399","","9.321","","90","","90.767","","90","","331.663","","","","","","","","","","","","Lavrion, Greece","5","P 1 21/m 1","-P 2yb","11","","","","- As Cl2 H O3 Pb2 -","- As Cl2 H O3 Pb2 -","- As2 Cl4 H2 O6 Pb4 -","2","0.5","","Siidra, O. I.; Chukanov, N. V.; Pekov, I. V.; Krivovichev, S. V.; Magganas, A.; Katerinopoulos, A.; Voudouris, P.","Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece: occurrence and characterization","Mineralogical Magazine","2012","76","","597","602","10.1180/minmag.2012.076.3.10","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015003","5.313","","10.495","","8.568","","90","","91.14","","90","","477.657","","","","","","","","","","","","Molinello mine, Val Graveglia, Liguria, Italy","4","P 1 21/m 1","-P 2yb","11","","","Bassoite","- H8 O11 Sr V3 -","- H8 O11 Sr V3 -","- H16 O22 Sr2 V6 -","2","0.5","","Bindi, L.; Carbone, C.; Cabella, R.; Lucchetti, G.","Bassoite, SrV3O7*4H2O, a new mineral from Molinello mine, Val Graveglia, eastern Liguria, Italy","Mineralogical Magazine","2011","75","","2677","2686","10.1180/minmag.2011.075.5.2677","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015053","9.802","","5.675","","9.281","","90","","102.443","","90","","504.141","","","","","","","","","","","","Otto Mountain, San Bernardino County, California, USA","6","P 1 21/m 1","-P 2yb","11","","","Munakataite","- Cu1.894 H8 O11 Pb1.934 S1.15 Se0.85 -","- Cu1.894 H8 O11 Pb1.934 S1.15 Se0.85 -","- Cu3.788 H16 O22 Pb3.868 S2.3 Se1.7 -","2","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.","The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4, from Otto Mountain, San Bernardino County, California, USA","Mineralogical Magazine","2010","74","","991","998","10.1180/minmag.2010.074.6.991","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015197","8.898","","5.6549","","10.1752","","90","","115.428","","90","","462.39","","","","","","","","","","","","Synthetic","7","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2.21 Ca2 Fe0.58 H Mn0.21 O13 Si3 -","- Al2.21 Ca2 Fe0.58 H Mn0.21 O13 Si3 -","- Al4.42 Ca4 Fe1.16 H2 Mn0.42 O26 Si6 -","2","0.5","","Nagashima, M.; Akasada, M.","X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.75, run 27","American Mineralogist","2010","95","","1237","1246","10.2138/am.2010.3418","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015207","5.8279","","13.615","","6.3097","","90","","127.314","","90","","398.184","","","","","","","","","","","","Tsumeb, Namibia","5","P 1 21/m 1","-P 2yb","11","","","Bartelkeite","- Fe Ge3 H4 O10 Pb -","- Fe2 Ge6 H8 O20 Pb2 -","- Fe2 Ge6 H8 O20 Pb2 -","","","","Origlieri, M. J.; Yang, H.; Downs, R. T.; Posner, E. S.; Domanik, K. J.; Pinch, W. W.","The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite","American Mineralogist","2012","97","","1812","1815","10.2138/am.2012.4269","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015238","32.11","","19.77","","7.23","","90","","95.85","","90","","4565.81","","","","","","","","","","","","Murun massif in Yakutia, Sakha Republic, Siberia, Russia","8","P 1 21/m 1","-P 2yb","11","","","Charoite","- Ca12 F H1.82 K6.58 Na3.66 O91.41 Si35 Sr0.69 -","- Ca12 F H1.82 K6.58 Na3.66 O91.41 Si35 Sr0.69 -","- Ca24 F2 H3.64 K13.16 Na7.32 O182.82 Si70 Sr1.38 -","2","0.5","","Rozhdestvenskaya, I. V.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Merlino, S.","Essential features of the polytypic charoite-96 structure compared to charoite-90 Note: This structure is polytype charoite-96","Mineralogical Magazine","2011","75","","2833","2846","10.1180/minmag.2011.075.6.2833","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015266","5.4222","","13.2778","","5.8584","","90","","124.42","","90","","347.929","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Itoigawaite","- Al2 Ca0.019 H4 O10 Si2 Sr0.981 -","- Al2 Ca0.019 H4 O10 Si2 Sr0.981 -","- Al4 Ca0.038 H8 O20 Si4 Sr1.962 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU89","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015315","8.8897","","5.7308","","10.101","","90","","115.166","","90","","465.751","","","","","","","","","","","","Askagen pegmatite, Varmland, Sweden","8","P 1 21/m 1","-P 2yb","11","","","Allanite-(Nd)","- Al2.036 Ca1.16 Fe0.964 H Mn0.128 Nd0.712 O13 Si3 -","- Al4.072 Ca2.32 Fe1.928 H2 Mn0.256 Nd1.424 O26 Si6 -","- Al4.072 Ca2.32 Fe1.928 H2 Mn0.256 Nd1.424 O26 Si6 -","","","","Skoda, R.; Cempirek, J.; Filip, J.; Novak, M.; Veselovsky, F.; Ctvrtlik, R.","Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden","American Mineralogist","2012","97","","983","988","10.2138/am.2012.3936","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015362","38.86","","4.09","","39.83","","90","","102.3","","90","","6185.16","","","","","","","","","","","","Vulcano, Italy","4","P 1 21/m 1","-P 2yb","11","","","Cannizzarite","- Bi27 Pb25 S62.39 Se3.61 -","- Bi54 Pb50 S124.78 Se7.22 -","- Bi54 Pb50 S124.78 Se7.22 -","","","","Topa, D.; Makovicky, E.; Dittrich, H.","The crystal structure of 7H:12Q cannizzarite from Vulcano, Italy","The Canadian Mineralogist","2010","48","","483","495","10.3749/canmin.48.3.483","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015383","6.6798","","5.4208","","3.5466","","90","","93.245","","90","","128.216","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","Parasibirskite","- B Ca H O3 -","- B2 Ca2 H2 O6 -","- B2 Ca2 H2 O6 -","","","","Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.","Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K","The Canadian Mineralogist","2011","49","","823","834","10.3749/canmin.49.3.823","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015476","5.197","","12.863","","5.681","","90","","124.48","","90","","313.053","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al4 Ca2 H8 O20 Si4 -","2","0.5","","Pawley, A. R.; Allan, D. R.","A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN90, P = 11.9 GPa","Mineralogical Magazine","2001","65","","41","58","10.1180/002646101550118","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015525","5.3427","","13.2039","","5.8448","","90","","124.1","","90","","341.424","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca0.64 H4 O10 Si2 Sr0.36 -","- Al2 Ca0.64 H4 O10 Si2 Sr0.36 -","- Al4 Ca1.28 H8 O20 Si4 Sr0.72 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU86","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015565","13.203","","4.186","","15.28","","90","","109.164","","90","","797.692","","","","","","","","","","","","Zalesi uranium deposit, northern Moravia, Czech Republic","4","P 1 21/m 1","-P 2yb","11","","","Litochlebite","- Ag2 Bi4 Pb Se8 -","- Ag4 Bi8 Pb2 Se16 -","- Ag4 Bi8 Pb2 Se16 -","","","","Sejkora, J.; Makovicky, E.; Topa, D.; Putz, H.; Zagler, G.; Pasil, J.","Litochlebite, Ag2PbBi4Se8, a new selenide mineral species from Zalesi, Czech Republic: description and crystal structure","The Canadian Mineralogist","2011","49","","639","650","10.3749/canmin.49.2.639","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015601","6.6972","","5.7538","","10.4686","","90","","97.747","","90","","399.719","","","","","","","","","","","","Merehead Quarry, Somerset, England","5","P 1 21/m 1","-P 2yb","11","","","Chloroxiphite","- Cl2 Cu H2 O4 Pb3 -","- Cl2 Cu H2 O4 Pb3 -","- Cl4 Cu2 H4 O8 Pb6 -","2","0.5","","Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.","Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in terms of oxocentred OPb4 tetrahedra","Mineralogical Magazine","2008","72","","793","798","10.1180/minmag.2008.072.3.793","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015625","15.4172","","4.0582","","20.8071","","90","","98.031","","90","","1289.05","","","","","","","","","","","","Kudriavy Volcano, Iturup Island, Kuriles, Russia","6","P 1 21/m 1","-P 2yb","11","","","Cannizzarite","- Bi6.188 Cd0.812 In0.208 Pb3.792 S13.539 Se0.461 -","- Bi12.376 Cd1.624 In0.416 Pb7.584 S27.078 Se0.922 -","- Bi12.376 Cd1.624 In0.416 Pb7.584 S27.078 Se0.922 -","","","","Borisov, S. V.; Pervukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Bryzgalov, I. A.; Mozgova, N. N.; Chaplygin, I. V.","The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano, Iturup Island, Kuriles, Russia","The Canadian Mineralogist","2012","50","","387","395","10.3749/canmin.50.2.387","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015672","5.7797","","11.567","","6.3344","","90","","113.36","","90","","388.767","","","","","","","","","","","","Su Senargiu, near Sarroch, Sardegna, Italy","3","P 1 21/m 1","-P 2yb","11","","","Sardignaite","- Bi Mo2 O10 -","- Bi2 Mo4 O20 -","- Bi2 Mo4 O20 -","","","","Orlandi, P.; Pasero, M.; Bigi, S.","Sardignaite, a new mineral, the second known bismuth molybdate: description and crystal structure","Mineralogy and Petrology","2010","100","","17","22","10.1007/s00710-010-0111-0","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015710","8.8904","","5.6606","","10.176","","90","","115.455","","90","","462.393","","","","","","","","","","","","Synthetic","7","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3 -","- Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3 -","- Al4.16 Ca4 Fe0.78 H2 Mn1.06 O26 Si6 -","2","0.5","","Nagashima, M.; Akasada, M.","X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 21","American Mineralogist","2010","95","","1237","1246","10.2138/am.2010.3418","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015775","5.3025","","13.174","","5.8422","","90","","123.72","","90","","339.448","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca0.77 H4 O10 Si2 Sr0.23 -","- Al2 Ca0.77 H4 O10 Si2 Sr0.23 -","- Al4 Ca1.54 H8 O20 Si4 Sr0.46 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU83","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015820","11.331","","3.865","","13.94","","90","","105.281","","90","","588.909","","","","","","","","","","","","Synthetic","3","P 1 21/m 1","-P 2yb","11","","","","- S7 Sb4 Sn -","- S14 Sb8 Sn2 -","- S14 Sb8 Sn2 -","","","","Topa, D.; Makovicky, E.; Schimper, H. J.; Stadler, A.; Basch, A.; Dittrich, H.; Amthauer, G.","The crystal structure of SnSb4S7, a new member of the meneghinite homologous series","The Canadian Mineralogist","2010","48","","1119","1126","10.3749/canmin.48.5.1119","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015882","8.8727","","5.6686","","10.1682","","90","","115.48","","90","","461.675","","","","","","","","","","","","Synthetic","7","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2.15 Ca2 Fe0.12 H Mn0.73 O13 Si3 -","- Al2.15 Ca2 Fe0.12 H Mn0.73 O13 Si3 -","- Al4.3 Ca4 Fe0.24 H2 Mn1.46 O26 Si6 -","2","0.5","","Nagashima, M.; Akasada, M.","X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.25, run 30","American Mineralogist","2010","95","","1237","1246","10.2138/am.2010.3418","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015918","5.273","","11.9181","","6.591","","90","","107.06","","90","","395.98","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba O10 Sc2 Si3 -","- Ba2 O20 Sc4 Si6 -","- Ba2 O20 Sc4 Si6 -","","","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015963","9.014","","12.074","","4.926","","90","","100.48","","90","","527.178","","","","","","","","","","","","Rapid Creek, Yukon, Canada","8","P 1 21/m 1","-P 2yb","11","","","Kulanite","- Al1.88 Ba Fe1.3 H3 Mg0.62 Mn0.08 O15 P3 -","- Al3.76 Ba2 Fe2.6 H6 Mg1.24 Mn0.16 O30 P6 -","- Al3.76 Ba2 Fe2.6 H6 Mg1.24 Mn0.16 O30 P6 -","","","","Cooper, M. A.; Hawthorne, F. C.","Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006","The Canadian Mineralogist","1994","32","","15","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016047","5.389","","12.163","","6.84","","90","","106.47","","90","","429.941","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba Er2 O10 Si3 -","- Ba2 Er4 O20 Si6 -","- Ba2 Er4 O20 Si6 -","","","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016199","8.8902","","5.6366","","10.16","","90","","115.432","","90","","459.786","","","","","","","","","","","","Synthetic","6","P 1 21/m 1","-P 2yb","11","","","Epidote","- Al2.09 Ca2 Fe0.91 H O13 Si3 -","- Al2.09 Ca2 Fe0.91 H O13 Si3 -","- Al4.18 Ca4 Fe1.82 H2 O26 Si6 -","2","0.5","","Nagashima, M.; Akasada, M.","X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=1.0, run 41","American Mineralogist","2010","95","","1237","1246","10.2138/am.2010.3418","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016202","5.435","","12.241","","6.932","","90","","106.26","","90","","442.738","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba Gd2 O10 Si3 -","- Ba2 Gd4 O20 Si6 -","- Ba2 Gd4 O20 Si6 -","","","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016239","5.4231","","13.2761","","5.8583","","90","","124.42","","90","","347.936","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Itoigawaite","- Al2 H4 O10 Si2 Sr -","- Al2 H4 O10 Si2 Sr -","- Al4 H8 O20 Si4 Sr2 -","2","0.5","","Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.","Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #Pt100","American Mineralogist","2010","95","","724","735","10.2138/am.2010.3220","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016259","4.2043","","9.199","","16.663","","90","","91.82","","90","","644.122","","","","","","","","","","","","a Late-Hellenistic shipwreck found near Mahdia, Tunisia","5","P 1 21/m 1","-P 2yb","11","","","Barstowite","- C H2 Cl6 O4 Pb4 -","- C H2 Cl6 O4 Pb4 -","- C2 H4 Cl12 O8 Pb8 -","2","0.5","","Kutzke, H.; Klapper, H.; Merlino, S.; Pasero, M.; Perchiazzi, N.; Eggert, G.","The crystal structure of barstowite, Pb4Cl6(CO3)*H2O, determined on crystals from Etruscan slags and from a Late-Hellenistic shipwreck","Zeitschrift fur Kristallographie","2000","215","","110","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016285","10.958","","7.778","","7.799","","90","","100.9","","90","","652.727","","","","","","","","","","","","Ohmi District, Niigata Prefecture, Central Japan","5","P 1 21/m 1","-P 2yb","11","","","Ohmilite","- H5 O15 Si4 Sr3 Ti -","- H5 O15 Si4 Sr3 Ti -","- H10 O30 Si8 Sr6 Ti2 -","2","0.5","","Mizota, T.; Komatsu, M.; Chihara, K.","On the crystal structure of Sr3TiSi4O12(OH)*2H2O, a new mineral Note: paper is missing data for O8","Mineralogical Journal","1973","7","","302","305","10.2465/minerj1953.7.302","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016313","8.8831","","5.6687","","10.1715","","90","","115.45","","90","","462.489","","","","","","","","","","","","Synthetic","7","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2.1 Ca2 Fe0.12 H Mn0.78 O13 Si3 -","- Al2.1 Ca2 Fe0.12 H Mn0.78 O13 Si3 -","- Al4.2 Ca4 Fe0.24 H2 Mn1.56 O26 Si6 -","2","0.5","","Nagashima, M.; Akasada, M.","X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.25, run 38","American Mineralogist","2010","95","","1237","1246","10.2138/am.2010.3418","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016315","12.952","","4.1523","","15.155","","90","","108.931","","90","","770.959","","","","","","","","","","","","Zalesi uranium deposit, Czech Republic","5","P 1 21/m 1","-P 2yb","11","","","Watkinsonite","- Ag0.32 Bi4 Cu1.68 Pb Se8 -","- Ag0.64 Bi8 Cu3.36 Pb2 Se16 -","- Ag0.64 Bi8 Cu3.36 Pb2 Se16 -","","","","Topa, D.; Makovicky, E.; Sejkora, J.; Dittrich, H.","The crystal structure of watkinsonite, Cu2PbBi4Se8, from the Zalesi uranium deposit, Czech Republic","The Canadian Mineralogist","2010","48","","1109","1118","10.3749/canmin.48.5.1109","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016680","8.938","","5.789","","10.153","","90","","114.54","","90","","477.884","","","","","","","","","","","","Eifel, Germany","11","P 1 21/m 1","-P 2yb","11","","","Ferriallanite-(La)","- Al1.356 Ca1.09 Ce0.42 Fe1.134 H La0.49 Mg0.05 Mn0.29 O13 Si3 Ti0.17 -","- Al2.712 Ca2.18 Ce0.84 Fe2.268 H2 La0.98 Mg0.1 Mn0.58 O26 Si6 Ti0.34 -","- Al2.712 Ca2.18 Ce0.84 Fe2.268 H2 La0.98 Mg0.1 Mn0.58 O26 Si6 Ti0.34 -","","","","Kolitsch, U.; Mills, S. J.; Miyawaki, R.; Blass, G.","Ferriallanite-(La), a new member of the epidote supergroup from the Eifel, Germany","European Journal of Mineralogy","2012","24","","741","747","10.1127/0935-1221/2012/0024-2210","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016708","31.96","","19.64","","7.09","","90","","90","","90","","4450.35","","","","","","","","","","","","Murun massif, Yakutiya, Russia","10","P 1 21/m 1","-P 2yb","11","","","Charoite","- Ba0.16 Ca12.82 F H4.18 K6.94 Mn0.18 Na3.18 O92.59 Si35 Sr0.5 -","- Ba0.16 Ca12.82 F H4.18 K6.94 Mn0.18 Na3.18 O92.59 Si35 Sr0.5 -","- Ba0.32 Ca25.64 F2 H8.36 K13.88 Mn0.36 Na6.36 O185.18 Si70 Sr -","2","0.5","","Rozhdestvenskaya, I.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Reinholdt, A.; Weirich, T.","The structure of charoite, (K,Sr,Ba,Mn)15-16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0*nH2O, solved by conventional and automated electron diffraction Note: this is polytype charoite-90","Mineralogical Magazine","2010","74","","159","177","10.1180/minmag.2010.074.1.159","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016722","5.178","","12.787","","5.634","","90","","124.67","","90","","306.798","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al4 Ca2 H8 O20 Si4 -","2","0.5","","Pawley, A. R.; Allan, D. R.","A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN97, P = 16.5 GPa","Mineralogical Magazine","2001","65","","41","58","10.1180/002646101550118","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016995","8.9277","","5.6548","","17.587","","90","","116.475","","90","","794.757","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Alnaperboeite-(Ce)","- Al3.544 Ca1.303 Ce2.697 Fe0.456 H2 O22 Si5 -","- Al3.544 Ca1.303 Ce2.697 Fe0.456 H2 O22 Si5 -","- Al7.088 Ca2.606 Ce5.394 Fe0.912 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_11","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016996","8.931","","5.6574","","17.6","","90","","116.517","","90","","795.713","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Alnaperboeite-(Ce)","- Al3.433 Ca1.225 Ce2.775 Fe0.567 H2 O22 Si5 -","- Al3.433 Ca1.225 Ce2.775 Fe0.567 H2 O22 Si5 -","- Al6.866 Ca2.45 Ce5.55 Fe1.134 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_09","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016997","8.9205","","5.6573","","17.5715","","90","","116.5","","90","","793.594","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Alnaperboeite-(Ce)","- Al3.476 Ca1.211 Ce2.789 Fe0.524 H2 O22 Si5 -","- Al3.476 Ca1.211 Ce2.789 Fe0.524 H2 O22 Si5 -","- Al6.952 Ca2.422 Ce5.578 Fe1.048 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST3_01","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016998","8.9546","","5.6675","","17.652","","90","","116.677","","90","","800.482","","","","","","","","","","","","Nedre Eivollen pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Alnaperboeite-(Ce)","- Al3.395 Ca1.21 Ce2.79 Fe0.605 H2 O22 Si5 -","- Al3.395 Ca1.21 Ce2.79 Fe0.605 H2 O22 Si5 -","- Al6.79 Ca2.42 Ce5.58 Fe1.21 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: NE_01","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016999","8.9222","","5.665","","17.569","","90","","116.47","","90","","794.92","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.418 Ca1.146 Ce2.854 Fe0.582 H2 O22 Si5 -","- Al3.418 Ca1.146 Ce2.854 Fe0.582 H2 O22 Si5 -","- Al6.836 Ca2.292 Ce5.708 Fe1.164 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_10","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017000","8.9165","","5.6754","","17.5253","","90","","116.321","","90","","794.916","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.374 Ca1.108 Ce2.892 Fe0.626 H2 O22 Si5 -","- Al3.374 Ca1.108 Ce2.892 Fe0.626 H2 O22 Si5 -","- Al6.748 Ca2.216 Ce5.784 Fe1.252 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_02","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017001","8.9327","","5.6817","","17.5807","","90","","116.465","","90","","798.768","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.283 Ca1.119 Ce2.881 Fe0.717 H2 O22 Si5 -","- Al3.283 Ca1.119 Ce2.881 Fe0.717 H2 O22 Si5 -","- Al6.566 Ca2.238 Ce5.762 Fe1.434 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_01","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017002","8.9313","","5.6608","","17.549","","90","","116.396","","90","","794.746","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.23 Ca1.11 Ce2.89 Fe0.77 H2 O22 Si5 -","- Al3.23 Ca1.11 Ce2.89 Fe0.77 H2 O22 Si5 -","- Al6.46 Ca2.22 Ce5.78 Fe1.54 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_03","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017003","8.911","","5.6866","","17.5252","","90","","116.3","","90","","796.133","","","","","","","","","","","","Hundholmen pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.221 Ca1.072 Ce2.928 Fe0.779 H2 O22 Si5 -","- Al3.221 Ca1.072 Ce2.928 Fe0.779 H2 O22 Si5 -","- Al6.442 Ca2.144 Ce5.856 Fe1.558 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: HU_02","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017004","8.8996","","5.6759","","17.5154","","90","","116.221","","90","","793.715","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.197 Ca1.079 Ce2.921 Fe0.803 H2 O22 Si5 -","- Al3.197 Ca1.079 Ce2.921 Fe0.803 H2 O22 Si5 -","- Al6.394 Ca2.158 Ce5.842 Fe1.606 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_04","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017005","8.895","","5.6827","","17.5044","","90","","116.24","","90","","793.626","","","","","","","","","","","","Hundholmen pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.15 Ca1.092 Ce2.908 Fe0.85 H2 O22 Si5 -","- Al3.15 Ca1.092 Ce2.908 Fe0.85 H2 O22 Si5 -","- Al6.3 Ca2.184 Ce5.816 Fe1.7 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: HU_01","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017006","8.9039","","5.6785","","17.5039","","90","","116.301","","90","","793.394","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.252 Ca1.105 Ce2.895 Fe0.748 H2 O22 Si5 -","- Al3.252 Ca1.105 Ce2.895 Fe0.748 H2 O22 Si5 -","- Al6.504 Ca2.21 Ce5.79 Fe1.496 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017007","8.9044","","5.665","","17.5261","","90","","116.399","","90","","791.885","","","","","","","","","","annealed for 48 hours at 350 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.273 Ca1.115 Ce2.885 Fe0.727 H2 O22 Si5 -","- Al3.273 Ca1.115 Ce2.885 Fe0.727 H2 O22 Si5 -","- Al6.546 Ca2.23 Ce5.77 Fe1.454 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-350, annealed for 48 hours at 350 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017008","8.9002","","5.6304","","17.7324","","90","","116.71","","90","","793.781","","","","","","","","","","annealed for 48 hours at 450 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.229 Ca1.098 Ce2.902 Fe0.771 H2 O22 Si5 -","- Al3.229 Ca1.098 Ce2.902 Fe0.771 H2 O22 Si5 -","- Al6.458 Ca2.196 Ce5.804 Fe1.542 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-450, annealed for 48 hours at 450 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017009","8.9031","","5.629","","17.7392","","90","","116.752","","90","","793.853","","","","","","","","","","annealed for 48 hours at 550 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.233 Ca1.11 Ce2.89 Fe0.767 H2 O22 Si5 -","- Al3.233 Ca1.11 Ce2.89 Fe0.767 H2 O22 Si5 -","- Al6.466 Ca2.22 Ce5.78 Fe1.534 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-550, annealed for 48 hours at 550 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017010","8.8979","","5.6235","","17.731","","90","","116.815","","90","","791.808","","","","","","","","","","annealed for 48 hours at 650 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.234 Ca1.098 Ce2.902 Fe0.766 H2 O22 Si5 -","- Al3.234 Ca1.098 Ce2.902 Fe0.766 H2 O22 Si5 -","- Al6.468 Ca2.196 Ce5.804 Fe1.532 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-650, annealed for 48 hours at 650 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017011","8.8936","","5.6189","","17.755","","90","","116.952","","90","","790.889","","","","","","","","","","annealed for 48 hours at 750 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.232 Ca1.091 Ce2.909 Fe0.768 H2 O22 Si5 -","- Al3.232 Ca1.091 Ce2.909 Fe0.768 H2 O22 Si5 -","- Al6.464 Ca2.182 Ce5.818 Fe1.536 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-750, annealed for 48 hours at 750 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017212","5.5173","","27.26","","6.815","","90","","106.73","","90","","981.601","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba O24 Si7 Yb6 -","- Ba2 O48 Si14 Yb12 -","- Ba2 O48 Si14 Yb12 -","","","","Wierzbicka-Wieczorek M; Kolitsch, U.","BaYb6(Si2O7)2(Si3O10) - the first silicate containing both Si2O7 and Si3O10 groups: synthesis, crystal chemistry and topology","European Journal of Mineralogy","2013","25","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017257","6.307","","11.074","","13.085","","90","","99.62","","90","","901.054","","","","100","","","","","","","","Hagendorf-Sud pegmatite, Oberpfalz, Bavaria, Germany","8","P 1 21/m 1","-P 2yb","11","","","Manganflurlite","- Al0.04 Fe2.07 H19 Mg0.06 Mn1.53 O23 P3 Zn1.3 -","- Al0.04 Fe2.07 H19 Mg0.06 Mn1.53 O23 P3 Zn1.3 -","- Al0.08 Fe4.14 H38 Mg0.12 Mn3.06 O46 P6 Zn2.6 -","2","0.5","","Kampf, A. R.; Grey, I. E.; MacRae, C. M.; Keck, E.","Manganflurlite, ZnMn32+Fe3+(PO4)3(OH)2(H2O)7·2H2O, a new schoonerite-related mineral from the Hagendorf-Sud pegmatite Note: T = 100 K","European Journal of Mineralogy","2019","31","","127","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017260","9.183","","12.349","","5.0081","","90","","100.23","","90","","558.894","","","","","","","","","","","","Spring Creek mine, South Australia, Australia","10","P 1 21/m 1","-P 2yb","11","","","Strontioperloffite","- Al0.02 Ba0.38 Ca0.04 Fe2.08 H3 Mn1.86 Na0.02 O15 P3 Sr0.6 -","- Al0.04 Ba0.76 Ca0.08 Fe4.16 H6 Mn3.72 Na0.04 O30 P6 Sr1.2 -","- Al0.04 Ba0.76 Ca0.08 Fe4.16 H6 Mn3.72 Na0.04 O30 P6 Sr1.2 -","","","","Elliott, P.","Strontioperloffite, SrMn22+Fe32+PO43+OH3, a new bjarebyite-group mineral from the Spring Creek mine, South Australia, Australia","European Journal of Mineralogy","2019","31","","549","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017352","7.6492","","6.1262","","8.9241","","90","","112.195","","90","","387.202","","","","","","","","","","","","Sierra de Cordoba, Argentina","8","P 1 21/m 1","-P 2yb","11","","","Brackebuschite","- As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09 -","- As0.04 Fe0.18 H2 Mn1.64 O18 Pb4 V3.96 Zn0.18 -","- As0.04 Fe0.18 H2 Mn1.64 O18 Pb4 V3.96 Zn0.18 -","","","","Lafuente, B.; Downs, R. T.","Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH)","Acta Crystallographica, Section E","2016","72","","293","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""
"9017605","8.8985","","5.765","","10.1185","","90","","114.12","","90","","473.758","","","","","","","","","","","","Ise, Mie Prefecture, Japan","14","P 1 21/m 1","-P 2yb","11","","","Vanadoallanite-(La)","- Al0.92 Ca0.76 Ce0.14 Fe1.01 H La0.46 Mg0.06 Mn0.69 Nd0.18 O13 Pr0.07 Si3 Ti0.08 V0.63 -","- Al1.84 Ca1.52 Ce0.28 Fe2.02 H2 La0.92 Mg0.12 Mn1.38 Nd0.36 O26 Pr0.14 Si6 Ti0.16 V1.26 -","- Al1.84 Ca1.52 Ce0.28 Fe2.02 H2 La0.92 Mg0.12 Mn1.38 Nd0.36 O26 Pr0.14 Si6 Ti0.16 V1.26 -","","","","Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.","Vanadoallanite-(La): a new epidote-supergroup mineral from Ise, Mie Prefecture, Japan Case 1","Mineralogical Magazine","2013","77","","2739","2752","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:13:52",""
"9017606","8.8985","","5.765","","10.1185","","90","","114.12","","90","","473.758","","","","","","","","","","","","Ise, Mie Prefecture, Japan","14","P 1 21/m 1","-P 2yb","11","","","Vanadoallanite-(La)","- Al0.92 Ca0.76 Ce0.14 Fe1.01 H La0.46 Mg0.06 Mn0.69 Nd0.18 O13 Pr0.07 Si3 Ti0.08 V0.63 -","- Al1.84 Ca1.52 Ce0.28 Fe2.02 H2 La0.92 Mg0.12 Mn1.38 Nd0.36 O26 Pr0.14 Si6 Ti0.16 V1.26 -","- Al1.84 Ca1.52 Ce0.28 Fe2.02 H2 La0.92 Mg0.12 Mn1.38 Nd0.36 O26 Pr0.14 Si6 Ti0.16 V1.26 -","","","","Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.","Vanadoallanite-(La): a new epidote-supergroup mineral from Ise, Mie Prefecture, Japan Case 2","Mineralogical Magazine","2013","77","","2739","2752","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:14:09",""
"9017667","7.5764","","5.9507","","8.805","","90","","112.551","","90","","366.619","","","","","","","","","","","","Valletta mine, Maira Valley, Piedmont, Italy","11","P 1 21/m 1","-P 2yb","11","","","Grandaite","- Al0.68 As1.77 Ba0.079 Ca0.452 Fe0.14 H Mg0.13 Mn0.12 O9 Sr1.469 V0.23 -","- Al0.68 As1.77 Ba0.079 Ca0.452 Fe0.14 H Mg0.13 Mn0.12 O9 Sr1.469 V0.23 -","- Al1.36 As3.54 Ba0.158 Ca0.904 Fe0.28 H2 Mg0.26 Mn0.24 O18 Sr2.938 V0.46 -","2","0.5","","Camara, F.; Ciriotti, M. E.; Bittarello, E.; Nestola, F.; Massimi, F.; Radica, F.; Costa, E.; Benna, P.; Piccoli, G. C.","Arsenic-bearing new mineral species from Valletta mine, Maira Valley, Piedmont, Italy: I. Grandaite, Sr2Al(AsO4)2(OH), description and crystal structure","Mineralogical Magazine","2014","78","","757","774","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017703","8.8779","","5.73995","","10.0875","","90","","113.899","","90","","469.972","","","","","","","","","","","","Shobu area, Ise City, Mie Prefecture, Japan","15","P 1 21/m 1","-P 2yb","11","","","Ferriandrosite-(La)","- Al1.17 Ca0.47 Ce0.2 Fe0.88 Gd0.02 H La0.49 Mg0.1 Mn1.06 Nd0.19 O13 Pr0.08 Si3 Ti0.07 V0.28 -","- Al2.34 Ca0.94 Ce0.4 Fe1.76 Gd0.04 H2 La0.98 Mg0.2 Mn2.12 Nd0.38 O26 Pr0.16 Si6 Ti0.14 V0.56 -","- Al2.34 Ca0.94 Ce0.4 Fe1.76 Gd0.04 H2 La0.98 Mg0.2 Mn2.12 Nd0.38 O26 Pr0.16 Si6 Ti0.14 V0.56 -","","","","Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.","Ferriakasakaite-(La) and ferriandrosite-(La): new epidote-supergroup minerals from Ise, Mie Prefecture, Japan","Mineralogical Magazine","2015","79","","735","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:28:30",""
"9017704","8.8733","","5.7415","","10.0805","","90","","113.845","","90","","469.725","","","","","","","","","","","","Shobu area, Ise City, Mie Prefecture, Japan","15","P 1 21/m 1","-P 2yb","11","","","Ferriakasakaite-(La)","- Al1.14 Ca0.59 Ce0.2 Fe0.89 Gd0.02 H La0.48 Mg0.07 Mn0.96 Nd0.18 O13 Pr0.07 Si3 Ti0.06 V0.34 -","- Al2.28 Ca1.18 Ce0.4 Fe1.78 Gd0.04 H2 La0.96 Mg0.14 Mn1.92 Nd0.36 O26 Pr0.14 Si6 Ti0.12 V0.68 -","- Al2.28 Ca1.18 Ce0.4 Fe1.78 Gd0.04 H2 La0.96 Mg0.14 Mn1.92 Nd0.36 O26 Pr0.14 Si6 Ti0.12 V0.68 -","","","","Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.","Ferriakasakaite-(La) and ferriandrosite-(La): new epidote-supergroup minerals from Ise, Mie Prefecture, Japan","Mineralogical Magazine","2015","79","","735","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:28:48",""
"9017719","7.298","","6.588","","7.84","","90","","117.15","","90","","335.408","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka Peninsula, Russia","3","P 1 21/m 1","-P 2yb","11","","","Glikinite","- O9 S2 Zn3 -","- O18 S4 Zn6 -","- O18 S4 Zn6 -","","","","Nazarchuk, E. V.; Siidra, O. I.; Nekrasova, D. O.; Shilovskikh, V. V.; Borisov, A. S.; Avdontseva, E. Y.","Glikinite, Zn3O(SO4)2, a new anhydrous zinc oxysulfate mineral structurally based on OZn4 tetrahedra","Mineralogical Magazine","2020","84","","563","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:17",""
"9017727","17.531","","18.555","","9.13","","90","","103.95","","90","","2882.28","","","","","","","","","","","","Markey mine, Utah, USA","4","P 1 21/m 1","-P 2yb","11","","","Pseudomarkeyite","- C12 Ca8 O65 U4 -","- C12 Ca8 O65 U4 -","- C24 Ca16 O130 U8 -","2","0.5","","Kampf, A. R.; Olds, T. A.; Plasil, J.; Burns, P. C.; Marty, J.","Natromarkeyite and pseudomarkeyite, two new calcium uranyl carbonate minerals from the Markey mine, San Juan County, Utah, USA","Mineralogical Magazine","2020","84","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017731","7.169","","14.3515","","4.9867","","90","","104.82","","90","","495.994","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","P 1 21/m 1","-P 2yb","11","","","Derbylite","- Ba0.045 Fe3.928 H O14 Sb Ti3.072 -","- Ba0.0446 Fe3.928 H O14 Sb Ti3.072 -","- Ba0.0892 Fe7.856 H2 O28 Sb2 Ti6.144 -","2","0.5","","Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Halenius, U.; Zaccarini, F.","Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy: occurrence and crystal-chemistry","Mineralogical Magazine","2020","84","","766","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","283869","2023-05-18","18:03:01",""
"9017759","8.9338","","31.891","","8.472","","90","","117.943","","90","","2132.33","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Jordanite","- As3.78 Pb14 S23 Sb2.22 -","- As7.56 Pb28 S46 Sb4.44 -","- As7.56 Pb28 S46 Sb4.44 -","","","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: Sb-bearing jordanite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017760","8.9554","","31.9228","","8.4937","","90","","117.981","","90","","2144.34","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Jordanite","- As1.067 Pb4.667 S7.667 Sb0.933 -","- As6.404 Pb28 S46 Sb5.596 -","- As6.404 Pb28 S46 Sb5.596 -","","","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: Sb-rich jordanite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017761","8.972","","31.953","","8.4888","","90","","117.964","","90","","2149.45","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Geocronite","- As0.847 Pb4.667 S7.667 Sb1.153 -","- As5.08 Pb28 S46 Sb6.92 -","- As5.08 Pb28 S46 Sb6.92 -","","","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: As-bearing geocronite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017781","8.936","","5.697","","10.26","","90","","114.12","","90","","476.717","","","","","","","","","","","","""Mixed Series"" formation, Jacupica Mtns, Macedonia","8","P 1 21/m 1","-P 2yb","11","","","Piemontite-(Pb)","- Al1.69 Ca1.3 Fe0.67 H Mn0.67 O13 Pb0.73 Si2.96 -","- Al3.38 Ca2.6 Fe1.34 H2 Mn1.34 O26 Pb1.46 Si5.92 -","- Al3.38 Ca2.6 Fe1.34 H2 Mn1.34 O26 Pb1.46 Si5.92 -","","","","Chukanov, N. V.; Varlamov, D. A.; Nestola, F.; Belakovskiy, D. I.; Goettlicher, J.; Britvin, S. N.; Lanza, A.; Jancev, S.","Piemontite-(Pb), CaPbAl2Mn3+[Si2O7][SiO4]O(OH), a new mineral species of the epidote supergroup","Neues Jahrbuch fur Mineralogie, Abhandlungen","2012","189","","275","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:22",""
"9017796","13.3722","","5.7434","","11.0862","","90","","100.58","","90","","836.966","","","","","","","","","","","","near Eifel, Germany","13","P 1 21/m 1","-P 2yb","11","","","Christofschaferite-(Ce)","- Al0.02 Ca0.568 Ce1.7 Fe1.2 La1.48 Mg0.015 Mn0.76 Nb0.09 Nd0.168 O22 Pr0.04 Si4 Ti2.935 -","- Al0.04 Ca1.136 Ce3.4 Fe2.4 La2.96 Mg0.03 Mn1.52 Nb0.18 Nd0.336 O44 Pr0.08 Si8 Ti5.87 -","- Al0.04 Ca1.136 Ce3.4 Fe2.4 La2.96 Mg0.03 Mn1.52 Nb0.18 Nd0.336 O44 Pr0.08 Si8 Ti5.87 -","","","","Chukanov, N. V.; Aksenov, S. M.; Rastsvetaeva, R. K.; Belakovskiy, D. I.; Gottlicher, J.; Britvin, S. N.; Mockel, S.","Christofschaferite-(Ce), (Ce,La,Ca)4Mn2+(Ti,Fe3+)3(Fe3+,Fe2+,Ti)(Si2O7)2O8, a new chevkinite-group mineral from the Eifel area, Germany","New Data on Minerals. Moscow","2012","47","","31","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:23",""
"9017807","5.7165","","6.1182","","5.6283","","90","","93.1161","","90","","196.557","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","Botallackite","- Cl Cu2 H3 O3 -","- Cl2 Cu4 H6 O6 -","- Cl2 Cu4 H6 O6 -","","","","Zheng, X. G.; Mori, T.; Nishiyama, K.; Higemoto, W.; Yamada, H.; Nishikubo, K.; Xu, C. N.","Antiferromagnetic transitions in polymorphous minerals of the natural cuprates atacamite and botallackite Cu2Cl(OH)3","Physical Review B - Condensed Matter","2005","71","","174404","174408","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017824","5.361","","6.906","","12.556","","90","","119.8","","90","","403.391","","","","","","","","","","","","Inyl'chek ridge, southeast Kirgiziya","6","P 1 21/m 1","-P 2yb","11","","","Hejtmanite","- Ba H2 Mn2 O10 Si2 Ti -","- Ba H2 Mn2 O10 Si2 Ti -","- Ba2 H4 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-titanosilicate Note: sample I","Soviet Physics Crystallography","1991","36","","186","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017837","5.137","","6.644","","8.908","","90","","90.554","","90","","304.018","","","","","","","","","","","","Khibiny Massif, Kola Peninsula, Russia","5","P 1 21/m 1","-P 2yb","11","","","Bonshtedtite","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","- C2 Fe2 Na6 O14 P2 -","","","","Krivovichev, S. V.; Chernyatieva, A. Y.; Britvin, S. N.; Yakovenchuk, V. N.; Krivovichev, V. G.","Refinement of the crystal structure of bonshtedtite Na3Fe(PO4)(CO3)","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2013","142","","46","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:25",""