# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T18:57:28+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C m m m' 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
"1000218","7.505","0.001","11.823","0.003","3.941","0.002","90","","90","","90","","349.7","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Dimercury iron pentafluoride dihydroxide hydrate","","- F5 Fe H4 Hg2 O3 -","- F5 Fe H5 Hg2 O3 -","- F10 Fe2 H10 Hg4 O6 -","2","0.125","","Courant, E; Fourquet, J L; De Pape, R","The crystal structure of Hg~2~ Fe F~5~ (O H)~2~ (H~2~O)","Journal of Solid State Chemistry","1985","60","","343","346","10.1016/0022-4596(85)90285-3","","","","","","0.0621","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001056","5.326","","5.383","","3.786","","90","","90","","90","","108.5","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Gadolinium tantalum tungsten oxide (0.1/0.2/0.8/3)","","- Gd0.07 O3 Ta0.21 W0.79 -","- Gd0.07 O3 Ta0.21 W0.79 -","- Gd0.14 O6 Ta0.42 W1.58 -","2","0.125","","Desgardin, G; Raveau, B","Sur de nouvelles phases non stoechiometriques de type Perovskite Gd~x~ (Ta~3x~ W~1-3x~) O~3~","Journal of Inorganic and Nuclear Chemistry","1972","34","","509","516","10.1016/0022-1902(72)80429-9","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001123","5.298","","5.377","","3.774","","90","","90","","90","","107.5","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Yttrium tantalum tungsten oxide (0.06/0.2/0.8/3)","","- O3 Ta0.18 W0.82 Y0.06 -","- O3 Ta0.18 W0.82 Y0.06 -","- O6 Ta0.36 W1.64 Y0.12 -","2","0.125","","Studer, F; Montfort, Y; Raveau, B","Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3x~ W~1-3X~) O~3~","Journal of Solid State Chemistry","1973","7","","269","276","10.1016/0022-4596(73)90133-3","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001218","28.11","0.01","7.503","0.004","7.548","0.005","90","","90","","90","","1591.9","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Rubidium tricopper heptatantalum oxide","","- Cu3 O21 Rb Ta7 -","- Cu3 O21 Rb Ta7 -","- Cu12 O84 Rb4 Ta28 -","4","0.25","","Benmoussa, A; Groult, D; Studer, F; Raveau, B","Intergrowth of Hexagonal Tungsten Bronze and Perovskite-like Structures: The Oxides A Cu~3~ M~7~ O~21~ (A = K, Rb, Cs, Tl; M = Nb, Ta)","Journal of Solid State Chemistry","1982","41","","221","226","10.1016/0022-4596(82)90205-5","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001710","5.4604","0.0003","5.5227","0.0003","12.2112","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.125","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001749","5.386","0.0007","5.4195","0.0007","15.72","0.002","90","","90","","90","","458.9","","","","","","","","","","","","","7","C m m m","-C 2 2","65","","Lead calcium strontium yttrium copper chromium oxide (1.75/0.2/2/1/2.85/0.15/8)","","- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -","- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -","- Ca0.4 Cr0.3 Cu5.7 O16 Pb3.5 Sr4 Y2 -","2","0.125","","Seshadri, R; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R","Substitution of chromium for univalent copper in superconducting Pb2 Sr2 (Ca, Y) Cu3 O8+d","Journal of Solid State Chemistry","1996","127","","64","71","10.1006/jssc.1996.0357","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006032","5.3956","0.0002","5.431","0.0002","15.6573","0.0007","90","","90","","90","","458.8","","","","","","","","","","","","","6","C m m m","-C 2 2","65","","Lead strontium yttrium nickel copper oxide (2/2/1/0.8/2.2/8)","","- Cu2.2 Ni0.8 O8 Pb2 Sr2 Y -","- Cu2.2 Ni0.8 O8 Pb2 Sr2 Y -","- Cu4.4 Ni1.6 O16 Pb4 Sr4 Y2 -","2","0.125","","Amador, U.; García-Alvarado, F.; Morán, E.; Alario-Franco, M. A.; Rodriguez-Carjaval, J.","A structural study of Ni-substituted Pb~2~Sr~2~YCu~3~O~8+δ~","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1990","165","5-6","499","504","10.1016/0921-4534(90)90388-U","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1006033","5.4035","0.0003","5.4386","0.0003","15.6965","0.0008","90","","90","","90","","461.3","","","","","","","","","","","","","6","C m m m","-C 2 2","65","","Lead strontium yttrium nickel copper oxide (2/2/1/0.8/2.2/8)","","- Cu2.2 Ni0.8 O8 Pb2 Sr2 Y -","- Cu2.2 Ni0.8 O8 Pb2 Sr2 Y -","- Cu4.4 Ni1.6 O16 Pb4 Sr4 Y2 -","2","0.125","","Amador, U.; García-Alvarado, F.; Morán, E.; Alario-Franco, M. A.; Rodriguez-Carjaval, J.","A structural study of Ni-substituted Pb~2~Sr~2~YCu~3~O~8+δ~","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1990","165","5-6","499","504","10.1016/0921-4534(90)90388-U","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1008489","5.444","0.01","5.495","0.01","19.49","0.03","90","","90","","90","","583","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Trilead tristrontium copper(I) dicopper octaoxide chloride","","- Cl Cu3 O8 Pb3 Sr3 -","- Cl Cu3 O8 Pb3 Sr3 -","- Cl2 Cu6 O16 Pb6 Sr6 -","2","0.125","","Cava, R. J.; Bordet, P.; Capponi, J. J.; Chaillout, C.; Chenavas, J.; Fournier, T.; Hewat, E. A.; Hodeau, J. L.; Levy, J. P.; Marezio, M.; Batlogg, B.; Rupp, Jr, L. W.","Pb~3~Sr~3~Cu~3~O~8+δ~Cl: a new layered copper oxychloride","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1990","167","1-2","67","74","10.1016/0921-4534(90)90487-Y","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1010009","8.18","","8.29","","3.96","","90","","90","","90","","268.5","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Diamminecadmium chloride","","- Cd Cl2 H6 N2 -","- Cd Cl2 H6.75 N2 -","- Cd2 Cl4 H13.5 N4 -","2","0.125","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010011","8.55","","8.55","","4.13","","90","","90","","90","","301.9","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Diamminecadmium bromide","","- Br2 Cd H6 N2 -","- Br2 Cd H6.75 N2 -","- Br4 Cd2 H13.5 N4 -","2","0.125","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010012","8.12","","8.12","","4.06","","90","","90","","90","","267.7","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Diamminemercury chloride","","- Cl2 H6 Hg N2 -","- Cl2 H6.75 Hg N2 -","- Cl4 H13.5 Hg2 N4 -","2","0.125","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010597","5.75","0.01","6.37","0.01","4.05","0.01","90","","90","","90","","148.3","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sodium iodate","","- I Na O3 -","- I Na O3 -","- I2 Na2 O6 -","2","0.125","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011210","5.302","","5.366","","3.777","","90","","90","","90","","107.5","","","","","","","","","","","","from Zermatt, Swiss Alps","3","C m m m","-C 2 2","65","","Calcium titanate","Perovskite","- Ca O3 Ti -","- Ca O3 Ti -","- Ca2 O6 Ti2 -","2","0.125","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1507770","5.99259","0.00013","5.57807","0.00012","11.5208","0.0003","90","","90","","90","","385.107","0.015","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- F2.26 Fe0.26 Pb0.74 -","- F1.557 Fe0.25975 Pb0.74025 -","- F12.456 Fe2.078 Pb5.922 -","8","0.5","","Le Bail, A","The anion-excess fluorite structure of beta-Pb1-xFexF2-x (0.25 < x < 0.27)","Powder Diffraction","2011","26","","303","307","10.1154/1.3659491","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510240","5.767","","12.472","","5.767","","90","","90","","90","","414.797","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","La2 Au.5 Li.5 O4","","- Au0.5 La2 Li0.5 O4 -","- Au0.5 La2 Li0.5 O4 -","- Au2 La8 Li2 O16 -","4","0.25","","Abbattista, F.; Mazza, D.; Vallino, M.","Preparation and crystallographic characteristics of the new phase La2 Au.5 Li.5 O4","Journal of the Less-Common Metals","1985","110","","391","396","10.1016/0022-5088(85)90348-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510588","5.585","","13.252","","7.258","","90","","90","","90","","537.182","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Au7 Rb3 -","- Au7 Rb3 -","- Au14 Rb6 -","2","0.125","","Zachwieja, U.","Eine neue Verbindung im System Rubidium-Gold: Synthese und Struktur von Rb3 Au7","Journal of Alloys Compd.","1993","199","","115","118","10.1016/0925-8388(93)90435-P","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510861","18.69449","","5.7009","","4.1506","","90","","90","","90","","442.352","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","Na3 B20","","- B20 Na3 -","- B20 Na3 -","- B40 Na6 -","2","0.125","","Hofmann, K.; Albert, B.","Synthesis, characterization, and crystal structure of Na3 B20, determined and refined from x-ray and neutron powder data","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511487","7.481","","9.658","","3.771","","90","","90","","90","","272.46","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Th Mo B4","","- B4 Mo Th -","- B4 Mo Th -","- B16 Mo4 Th4 -","4","0.25","","Nowotny, H.; Rogl, P.","Ternaere Komplexboride mit Th Mo B4-Typ","Monatshefte fuer Chemie (-108,1977)","1974","105","","1082","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511594","2.971","","20.34","","3.011","","90","","90","","90","","181.955","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","(Cr2 Ni3) B6","","- B6 Cr2 Ni3 -","- B6 Cr2 Ni3 -","- B12 Cr4 Ni6 -","2","0.125","","Krivutskii, V.P.; Kuz'ma, Yu.B.; Chepiga, M.V.","The system Cr-Ni-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1972","8","","928","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511600","7.701","","8.632","","3.462","","90","","90","","90","","230.137","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Er2 Ni3 B6","","- B6 Er2 Ni3 -","- B6 Er2 Ni3 -","- B12 Er4 Ni6 -","2","0.125","","Kuz'ma, Yu.B.; Gubich, I.B.; Chaban, N.F.","New borides with Lu2 Ni3 B6 structure type","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","1317","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511621","7.63","","8.625","","3.439","","90","","90","","90","","226.316","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Lu2 Ni3 B6","","- B6 Lu2 Ni3 -","- B6 Lu2 Ni3 -","- B12 Lu4 Ni6 -","2","0.125","","Kuz'ma, Yu.B.; Dub, O.M.; Malinovskii, T.I.; Mazus, M.D.; Chaban, N.F.","Crystal structure of the boride Lu2 Ni3 B6","Doklady Akademii Nauk Ukrainskoi SSR, Serie B: Geol.Khim.Biol., Nauki","1987","1987","","35","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511634","7.627","","8.604","","3.443","","90","","90","","90","","225.939","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Yb2 Ni3 B6","","- B6 Ni3 Yb2 -","- B6 Ni3 Yb2 -","- B12 Ni6 Yb4 -","2","0.125","","Gubich, I.B.","A new boride Yb2Ni3B6 and its structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","630","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511648","22.602","","3.1385","","3.2895","","90","","90","","90","","233.345","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","Ta5 B6","","- B6 Ta5 -","- B6 Ta5 -","- B12 Ta10 -","2","0.125","","Bolmgren, H.; Okada, S.; Higashi, I.; Tergenius, L.E.; Lundstroem, T.","The crystal structure of Ta5 B6","Journal of the Less-Common Metals","1990","161","","341","345","10.1016/0022-5088(90)90046-M","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520922","7.82","","7.83","","7.9","","90","","90","","90","","483.722","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- La0.303 Nb O3 -","- La0.30355 Nb O3 -","- La2.4284 Nb8 O24 -","8","0.5","","Carrillo, L.; Villafuerte-Castrejon, M.E.; Pomes, R.; Gonzalez, G.; Sansores, L.E.; Duque, J.; Bucio, L.","Superstructure determination of the perovskite beta-(La0.33 Nb O3)","Journal of Materials Science","2000","35","","3047","3052","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521171","10.974","","7.702","","5.473","","90","","90","","90","","462.588","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sr4 Fe4 O11","","- Fe4 O11 Sr4 -","- Fe4 O11 Sr4 -","- Fe8 O22 Sr8 -","2","0.125","","Hodges, J.P.; Kimball, C.W.; Short, S.; Jorgensen, J.D.; Dabrowski, B.; Xiong, X.; Mini, S.M.","Evolution of oxygen-vacancy ordered crystal structures in the perovskite series Srn Fen O3n-1 (n = 2, 4, 8 and infinity), and the relationship to electronic and magnetic properties","Journal of Solid State Chemistry","2000","151","","190","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","140838","2020-10-21","18:00:00",""
"1521496","8.019","","8.013","","3.661","","90","","90","","90","","235.242","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Ni (N H3)2) Cl2","","- Cl2 H6 N2 Ni -","- Cl2 H6 N2 Ni -","- Cl4 H12 N4 Ni2 -","2","0.125","","Leineweber, A.; Jacobs, H.","Preparation and crystal structures of Ni (N H3)2 Cl2 and of two modifications of Ni (N H3)2 Br2 and Ni (N H3)2 I2","Journal of Solid State Chemistry","2000","152","","381","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521497","8.273","","8.297","","3.851","","90","","90","","90","","264.337","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Ni (N H3)2) Br2","","- Br2 H6 N2 Ni -","- Br2 H6 N2 Ni -","- Br4 H12 N4 Ni2 -","2","0.125","","Leineweber, A.; Jacobs, H.","Preparation and crystal structures of Ni (N H3)2 Cl2 and of two modifications of Ni (N H3)2 Br2 and Ni (N H3)2 I2","Journal of Solid State Chemistry","2000","152","","381","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521686","8.072","","7.279","","4.044","","90","","90","","90","","237.61","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Mn3 Pd5 -","- Mn3.04 Pd4.96 -","- Mn6.08 Pd9.92 -","2","0.125","","Kadar, G.; Kren, E.","Crystal and magnetic structure of the Mn3 Pd5 phase","Solid State Communications","1972","11","","933","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521856","3.405","","13.765","","3.631","","90","","90","","90","","170.184","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Y2 B3 C2","","- C2 B3 Y2 -","- C2 B3 Y2 -","- C4 B6 Y4 -","2","0.125","","Rogl, P.; Bouree, F.","A novel boroncarbide, Y2 B3 C2. X ray single crystal and neutron powder diffraction analysis","Journal of Alloys Compd.","2000","298","","160","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","142072","2020-10-21","18:00:00",""
"1522309","10.97","","5.54","","3.94","","90","","90","","90","","239.449","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ba Cu3 O4 -","- Ba Cu3 O4 -","- Ba2 Cu6 O8 -","2","0.125","","Zandbergen, H.W.; Jansen, J.; Svetchnikov, V.L.; Graboy, I.E.; Samoylenkov, S.; Gorbenko, O.; Kaul, A.R.","The structure of Ba Cu3 O4 particles occurring on thin Ho Ba2 Cu3 O7 films prepared by MOCVD","Physica C (Amsterdam)","1999","328","","211","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522507","3.778","","40.335","","3.778","","90","","90","","90","","575.713","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ga13 Nb5 -","- Ga13 Nb5 -","- Ga26 Nb10 -","2","0.125","","Meissner, H.G.; Schubert, K.","Zum Aufbau einiger zu T(5)-Ga homologer und quasihomologer Systeme. I. Die System V-Ga, Nb-Ga und Tl-Ga und die Struktur von Ti6 Sn5(h)","Zeitschrift fuer Metallkunde","1965","56","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522709","12.894","","3.994","","4.123","","90","","90","","90","","212.329","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ga2 Zr -","- Ga2 Zr -","- Ga8 Zr4 -","4","0.25","","Poetzschke, M.; Schubert, K.","Zum Aufbau einiger T(4)-B(3) homologer und quasihomologer Systeme. I. Die Systeme Ti-Ga, Zr-Ga und Hf-Ga","Zeitschrift fuer Metallkunde","1962","53","","474","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522720","13.31","","4.098","","4.242","","90","","90","","90","","231.377","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ga2 Sc -","- Ga2 Sc -","- Ga8 Sc4 -","4","0.25","","Popova, S.V.; Fomicheva, L.N.; Putro, V.G.","High-pressure phases in the Sc-Ga system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","1563","1567","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522911","4.301","","22.278","","4.366","","90","","90","","90","","418.34","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Lu2 Ni Sn6 -","- Lu2 Ni Sn6 -","- Lu4 Ni2 Sn12 -","2","0.125","","Skolozdra, R.V.; Aksel'rud, L.G.; Koretskaya, O.E.; Komarovskaya, L.P.","The crystal structure of Lu2 Ni Sn6","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1985","1985","","24","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522912","4.4597","","26.5163","","4.3823","","90","","90","","90","","518.228","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Gd3 Sn7 -","- Gd3 Sn7 -","- Gd6 Sn14 -","2","0.125","","Skolozdra, R.V.; Aksel'rud, L.G.; Pecharskii, V.K.; Koretskaya, O.E.","Two crystal structures in the Gd - Sn system","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1986","1986","","51","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523176","7.525","","7.363","","12.307","","90","","90","","90","","681.889","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Pd Zn2 -","- Pd1.00013 Zn1.99987 -","- Pd16.002 Zn31.998 -","16","1","","Alasafi, K.M.; Chattopadhyay, T.K.; Schubert, K.","Zur Mischung Pd Zn2","Journal of the Less-Common Metals","1978","59","","41","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523251","7.53","","6.72","","3.77","","90","","90","","90","","190.768","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ga3 Ni5 -","- Ga3 Ni5 -","- Ga6 Ni10 -","2","0.125","","Bhan, S.; Schubert, K.","Ueber die Struktur von Phasen mit Kupfer Unterstruktur in einigen T-B Legierungen (T= Ni, Pd, Pt; B= Ga, In, Tl, Pb, Sb, Bi)","Journal of the Less-Common Metals","1969","17","","73","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523253","8.031","","7.44","","3.948","","90","","90","","90","","235.896","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ga3 Pt5 -","- Ga3 Pt5 -","- Ga6 Pt10 -","2","0.125","","Bhan, S.; Schubert, K.","Zum Aufbau der Systeme Co-Ga, Rh-Si sowie einiger verwandter Legierungen","Zeitschrift fuer Metallkunde","1960","51","","327","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523732","4.192","","17.564","","4.133","","90","","90","","90","","304.306","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ga2 Nd Ni -","- Ga2 Nd Ni -","- Ga8 Nd4 Ni4 -","4","0.25","","Grin', Yu.; Yarmolyuk, Ya.P.","Crystal structures of R Ga2 Ni (R= La, Ce, Pr, Nd, Sm, Gd)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1982","44","","69","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524263","4.59","","27.6","","4.6","","90","","90","","90","","582.746","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Co2 La3 Sn7 -","- Co2 La3 Sn7 -","- Co4 La6 Sn14 -","2","0.125","","Doerrscheidt, W.; Schaefer, H.","Darstellung und Kristallstruktur von Ba Pd Sn3, Sr Pd Sn3 und La3 Co2 Sn7","Journal of the Less-Common Metals","1980","70","","P1","P10","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524710","7.302","","12.713","","3.627","","90","","90","","90","","336.696","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","K (W3 O9)","","- K O9 W3 -","- K O9 W3 -","- K2 O18 W6 -","2","0.125","","Klug, A.","X-ray diffraction studies of potassium polytungstates with high W O3 content","Materials Research Bulletin","1977","12","","837","845","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525310","4.565","","27.31","","4.565","","90","","90","","90","","569.119","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ce3 Ni2 Sn7 -","- Ce3 Ni2 Sn7 -","- Ce6 Ni4 Sn14 -","2","0.125","","Skolozdra, R.V.; Yasnitskaya, I.V.; Aksel'rud, L.G.","Magnetic properties of some compounds crystallizing in the La3 Co2 Sn7 type","Ukrains'kii Fizichnii Zhurnal (Ukrainian Edition)","1987","32","","729","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525803","5.52","","5.5252","","11.6676","","90","","90","","90","","355.851","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","La (Ba1.3 La0.7) Cu3 O7.3","","- Ba1.3 Cu3 La1.7 O7.3 -","- Ba1.3 Cu3 La1.7 O7.3 -","- Ba2.6 Cu6 La3.4 O14.6 -","2","0.125","","Lin, B.N.; Lin, Y.-H.; Luo, H.M.; Lee, T.-J.; Ho, J.C.; Ku, H.C.","Crystallographic and physical properties of new orthorhombic Cu-1212 R (Ba2-x R'x) Cu3 O7+y system (R, R' = La, Pr, Nd; 0.65 < x < 1)","Physica C (Amsterdam)","2000","341","","407","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","146859","2020-10-21","18:00:00",""
"1525860","4.838","","8.147","","6.107","","90","","90","","90","","240.709","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ti2 Zr O","","- O Ti2 Zr -","- O Ti2 Zr -","- O4 Ti8 Zr4 -","4","0.25","","Dechamps, M.; Dubertret, A.; Lehr, P.","Description de la structure cristallographique d'une phase nouvelle omega' (O) observee dans les alliages titane-zirconium-oxygene","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","444","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525896","7.81935","","7.83789","","7.91329","","90","","90","","90","","484.983","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- La0.333 Nb O3 -","- La0.3335 Nb O3 -","- La2.668 Nb8 O24 -","8","0.5","","Dilanian, R.A.; Yamamoto, A.; Kamiyama, T.; Izumi, F.","Crystal structures and resistivities of La1/3 Lix Nb O3","Molecular Crystals and Liquid Crystals","2000","341","","225","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525897","7.82325","","7.84208","","7.91954","","90","","90","","90","","485.868","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","","","- La0.333 Li0.075 Nb O3 -","- La0.3335 Li0.075 Nb O3 -","- La2.668 Li0.6 Nb8 O24 -","8","0.5","","Dilanian, R.A.; Yamamoto, A.; Kamiyama, T.; Izumi, F.","Crystal structures and resistivities of La1/3 Lix Nb O3","Molecular Crystals and Liquid Crystals","2000","341","","225","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526563","3.698","","6.365","","4.6","","90","","90","","90","","108.274","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Li2 Na N","","- Li2 N Na -","- Li2 N Na -","- Li4 N2 Na2 -","2","0.125","","Schoen, J.C.; Jansen, M.; Wevers, M.A.C.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1526892","5.064","","26.32","","8.317","","90","","90","","90","","1108.53","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Tb Fe6 Ge3.5 Ga2.5","","- Fe6 Ga2.5 Ge3.5 Tb -","- Fe6 Ga2.5002 Ge3.4998 Tb -","- Fe36 Ga15.0012 Ge20.9988 Tb6 -","6","0.375","","Venturini, G.","Crystallographic and magnetic properties of Tb Fe6 Ge6-x Gax compounds (0.5 <= x <= 3.5)","Journal of Alloys Compd.","2001","329","","8","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526893","5.065","","149.1","","8.347","","90","","90","","90","","6303.58","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Tb Fe6 Ge3 Ga3","","- Fe6 Ga3 Ge3 Tb -","- Fe6 Ga3 Ge3 Tb -","- Fe204 Ga102 Ge102 Tb34 -","34","2.125","","Venturini, G.","Crystallographic and magnetic properties of Tb Fe6 Ge6-x Gax compounds (0.5 <= x <= 3.5)","Journal of Alloys Compd.","2001","329","","8","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527214","5.363","","46.56","","8.873","","90","","90","","90","","2215.6","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Dy Fe6 Sn6 -","- Dy Fe6 Sn6 -","- Dy10 Fe60 Sn60 -","10","0.625","","Chafik El Idrissi, B.; Venturini, G.; Malaman, B.","Crystal structures of R Fe6 Sn6 (R= Sc, Y, Gd-Tm, Lu) rare-earths iron stannides","Materials Research Bulletin","1991","26","","1331","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527260","5.291","","10.018","","5.239","","90","","90","","90","","277.694","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Mg (V O3)","","- Mg O3 V -","- Mg O3 V -","- Mg4 O12 V4 -","4","0.25","","Cros, B.; Tourne, G.; Philippot, E.","Equilibres de phases dans les systemes vanadium-metal-oxygene. II. -Structure cristalline du compose Mg V O3 obtenu sous faible pression","Bulletin de la Societe Chimique de France (Vol=Year)","1975","1975","","1583","1586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528043","12.0944","","3.9591","","4.0315","","90","","90","","90","","193.04","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Al2 Ti -","- Al2 Ti -","- Al8 Ti4 -","4","0.25","","Schuster, J.C.; Ipser, H.","Phases and phase relations in the partial system Ti Al3 - Ti Al","Zeitschrift fuer Metallkunde","1990","81","","389","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528340","5.252","","5.632","","5.519","","90","","90","","90","","163.248","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","U Y O4","","- O4 U Y -","- O4 U Y -","- O8 U2 Y2 -","2","0.125","","Bartram, S.F.; Fitzsimmons, E.S.","Studies on a new ordered oxide of uranium and yttrium","Journal of Nuclear Materials","1970","35","","126","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528894","4.085","","25.9558","","4.1786","","90","","90","","90","","443.055","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ce3 Ni2 Si8 -","- Ce3 Ni2 Si8 -","- Ce6 Ni4 Si16 -","2","0.125","","Stepien, J.A.; Bodak, O.I.; Gladyshevskii, E.I.; Lukaszewicz, K.","Crystalline structure of the intermetallic compound Ce3 Ni2 Si8","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1972","20","","1029","1036","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528931","4.21038","","35.8075","","4.14023","","90","","90","","90","","624.194","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sm4 Ga5.24 Ge5.76","","- Ga5.24 Ge5.76 Sm4 -","- Ga5.24 Ge5.76 Sm4 -","- Ga10.48 Ge11.52 Sm8 -","2","0.125","","Tokaychuk, Y.O.; Filinchuk, Y.E.; Fedorchuk, A.O.; Kozlov, A.Yu.; Mokra, I.R.","New representatives of the linear structure series containing empty Ga/Ge cubes in the Sm-Ga-Ge system","Journal of Solid State Chemistry","2006","179","","1323","1329","","","","","","","","","","","","","","","","","","","","","","has coordinates","151783","2020-10-21","18:00:00",""
"1529537","4.02","","24.367","","4.028","","90","","90","","90","","394.564","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","U3 Fe2 Si7","","- Fe2 Si7 U3 -","- Fe2 Si7 U3 -","- Fe4 Si14 U6 -","2","0.125","","Aksel'rud, L.G.; Yarmolyuk, Ya.P.; Rozhdestvenskaya, I.V.; Gladyshevskii, E.I.","The crystal structure of U3 Fe2 Si7 and U3 Co2 Si7","Kristallografiya","1981","26","","186","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","153977","2020-10-21","18:00:00",""
"1529940","7.029","","6.233","","2.835","","90","","90","","90","","124.206","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ti Fe D1.94","","- D1.94 Fe Ti -","- D1.95 Fe Ti -","- D7.8 Fe4 Ti4 -","4","0.25","","Fischer, P.; Schefer, J.; Yvon, K.; Schlapbach, L.; Riesterer, T.","Orthorhombic structure of gamma Ti Fe D2","Journal of the Less-Common Metals","1987","129","","39","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530233","2.923","","11.046","","2.875","","90","","90","","90","","92.826","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Al Fe2 B2","","- Al B2 Fe2 -","- Al B2 Fe2 -","- Al2 B4 Fe4 -","2","0.125","","Kuz'ma, Yu.B.; Chaban, N.F.","The crystal structure of the compound Fe2 Al B2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","384","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530273","8.181","","8.2067","","3.755","","90","","90","","90","","252.107","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Mg (N H3)2) Cl2","","- Cl2 H6 Mg N2 -","- Cl2 H6 Mg N2 -","- Cl4 H12 Mg2 N4 -","2","0.125","","Leineweber, A.; Friedriszik, M.W.; Jacobs, H.","Preparation and crystal structure of Mg (N H3)2 Cl2, Mg (N H3)2 Br2, and Mg (N H3)2 I2","Journal of Solid State Chemistry","1999","147","","229","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530913","5.473","","5.365","","7.762","","90","","90","","90","","227.913","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Y0.33 Ta O3","","- O3 Ta Y0.33 -","- O3 Ta Y0.33 -","- O12 Ta4 Y1.32 -","4","0.25","","Trunov, V.K.; Lykova, L.N.; Afonsky, N.S.","The structure of Y0.33 Ta O3 and La0.33 Ta O3","Vestnik Moskovskogo Universiteta, Khimiya","1968","9","","55","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530982","9.5737","","4.453","","3.4944","","90","","90","","90","","148.972","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Li2 Pr O3","","- Li2 O3 Pr -","- Li2 O3 Pr -","- Li4 O6 Pr2 -","2","0.125","","von Wolf, R.; Hoppe, R.","Ein neues Oxopraseodymat(IV): Li2 Pr O3","Journal of Solid State Chemistry","1987","70","","12","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531083","17.7478","","17.191","","3.941","","90","","90","","90","","1202.41","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Cu1.264 Ta11 O26.19 F4.8","","- Cu1.264 F4.8 O26.19 Ta11 -","- Cu1.264 F4.805 O26.195 Ta11 -","- Cu2.528 F9.61 O52.39 Ta22 -","2","0.125","","Askeljung, C.; Lundberg, M.; Sundberg, M.","Cu1.1 Ta11 O26.2 F4.8: a tetragonal-tungsten-bronze-related structure with square planar coordination of copper","International Journal of Inorganic Materials","2000","2","","469","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","156407","2020-10-21","18:00:00",""
"1531772","8.0586","","8.0585","","3.7409","","90","","90","","90","","242.935","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Co (N D3)2) Cl2","","- Cl2 Co D6 N2 -","- Cl2 Co D6 N2 -","- Cl4 Co2 D12 N4 -","2","0.125","","Leineweber, A.; Fauth, F.; Jacobs, H.; Allenspach, P.; Essmann, R.; Fischer, P.","Co (N H3)2 Cl2 and Co (N D3)2 Cl2: order-disorder behaviour of N (H, D)3 and antiferromagnetic structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2063","2069","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531910","5.453","","19.511","","5.439","","90","","90","","90","","578.674","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sm Cu1.15 P2","","- Cu1.15 P2 Sm -","- Cu1.147 P2 Sm -","- Cu9.176 P16 Sm8 -","8","0.5","","Mozharivsky, Yu.; Pecharsky, A.O.; Bud'ko, S.L.; Franzen, H.F.","Symmetry-breaking transitions in Sm Cu1+d As2-x Px (d = 0 - 0.2, x = 0 - 2). Effect of P and additional Cu atoms on crystal structures and magnetic properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1619","1630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532098","3.996","","21.88","","4.076","","90","","90","","90","","356.375","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Yb2 Pd1.075 Ge6","","- Ge6 Pd1.075 Yb2 -","- Ge6 Pd1.075 Yb2 -","- Ge12 Pd2.15 Yb4 -","2","0.125","","Rizzoli, C.; Sologub, O.L.; Salamakha, P.","Single crystal investigation of the Yb2 Pd1.075(1) Ge6 compound","Journal of Alloys Compd.","2003","351","","L10","L12","","","","","","","","","","","","","","","","","","","","","","has coordinates","157725","2020-10-21","18:00:00",""
"1533082","7.72","","7.739","","7.771","","90","","90","","90","","464.279","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Li0.18 La0.119) La0.483 (Ti O3)","","- La0.602 Li0.18 O3 Ti -","- La0.6015 Li0.18 O3 Ti -","- La4.812 Li1.44 O24 Ti8 -","8","0.5","","Sanz, J.; Fernandez, M.T.; Alonso, J.A.; Varez, A.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533083","7.731","","7.75","","7.787","","90","","90","","90","","466.56","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Li0.18 La0.118) La0.492 (Ti O3)","","- La0.61 Li0.18 O3 Ti -","- La0.609 Li0.18 O3 Ti -","- La4.872 Li1.44 O24 Ti8 -","8","0.5","","Sanz, J.; Varez, A.; Alonso, J.A.; Fernandez, M.T.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533084","7.748","","7.76","","7.806","","90","","90","","90","","469.332","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Li0.18 La0.12) La0.48 (Ti O3)","","- La0.6 Li0.18 O3 Ti -","- La0.599 Li0.18 O3 Ti -","- La4.792 Li1.44 O24 Ti8 -","8","0.5","","Sanz, J.; Varez, A.; Alonso, J.A.; Fernandez, M.T.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533085","7.756","","7.764","","7.815","","90","","90","","90","","470.6","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Li0.18 La0.121) La0.482 (Ti O3)","","- La0.603 Li0.18 O3 Ti -","- La0.6025 Li0.18 O3 Ti -","- La4.82 Li1.44 O24 Ti8 -","8","0.5","","Sanz, J.; Alonso, J.A.; Varez, A.; Fernandez, M.T.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533198","7.7687","","22.959","","3.8535","","90","","90","","90","","687.316","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Nd2 Ba Cu3 O7.33","","- Ba Cu3 Nd2 O7.33 -","- Ba Cu3 Nd2 O7.33 -","- Ba4 Cu12 Nd8 O29.32 -","4","0.25","","Galez, P.; le Roy, J.; Bertrand, C.; Suard, E.","Neutron powder diffraction study of the Nd (Ba1-x Ndx)2 Cu3 O7+d solid solution","Solid State Communications","2003","125","","89","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533302","5.3709","","5.3537","","7.9113","","90","","90","","90","","227.483","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Sr2 ((Mn Ga) O5.5)","","- Ga Mn O5.5 Sr2 -","- Ga0.992 Mn1.008 O5.488 Sr2 -","- Ga1.984 Mn2.016 O10.976 Sr4 -","2","0.125","","Caspi, E.N.; Avdeev, M.; Kolesnik, S.; Short, S.; Dabrowski, B.; Jorgensen, J.D.; Chmaissem, O.; Mais, J.","Synthesis, structure and properties of randomly mixed and layer-ordered Sr Mn1-x Gax O3-d perovskites","Journal of Solid State Chemistry","2004","177","","1456","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533725","3.994","","20.76","","4.134","","90","","90","","90","","342.772","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Y (Ge2.64 Ga0.66)","","- Ga0.66 Ge2.64 Y -","- Ga0.66 Ge2.64 Y -","- Ga2.64 Ge10.56 Y4 -","4","0.25","","Speka, M.V.; Zakharenko, M.I.; Belyavina, N.M.; Markiv, V.Ya.","Isothermal section of the Y - Ge - Ga system at 600 C in the region up to 37 at% Y","Journal of Alloys Compd.","2004","368","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534071","4.9","","24.7603","","4.88","","90","","90","","90","","592.068","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","(Ca7 N2) Tl3","","- Ca7 N2 Tl3 -","- Ca7 N2 Tl3 -","- Ca14 N4 Tl6 -","2","0.125","","Ludwig, M.","Anwendung quantenmechanischer ab initio Rechnungen zum Studium ausgewaehlter Kristallstrukturprobleme","Dissertation Thesis Darmstadt","1998","1998","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","160391","2020-10-21","18:00:00",""
"1534243","2.92","","11.08","","2.89","","90","","90","","90","","93.502","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Mn2 Al B2","","- Al B2 Mn2 -","- Al B2 Mn2 -","- Al2 B4 Mn4 -","2","0.125","","Becher, H.J.; Peisker, E.; Krogmann, K.","Ueber das ternaere Borid Mn2 Al B2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","344","","140","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534450","16.941","","17.567","","3.848","","90","","90","","90","","1145.18","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","La4.8 Ta22 O62","","- La4.8 O62 Ta22 -","- La4.8 O62 Ta22 -","- La4.8 O62 Ta22 -","1","0.0625","","Gavrikov, S.I.; Putilin, S.N.; Zakharov, N.D.","Structure and defects of lanthanum pentatantalate","Kristallografiya","1993","38","","206","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","161200","2020-10-21","18:00:00",""
"1535282","3.1341","","33.161","","3.2428","","90","","90","","90","","337.024","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Nb7 B6 C3","","- C3 B6 Nb7 -","- C3 B6 Nb7 -","- C6 B12 Nb14 -","2","0.125","","Hillebrecht, H.; Gebhardt, K.","Crystal structures from a building set: the first boridecarbides of niobium","Angew. Chem. Int. ed.","2001","40","","1445","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","162576","2020-10-21","18:00:00",""
"1535506","8.042","","7.998","","3.7383","","90","","90","","90","","240.447","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Fe (N H3)2) Cl2","","- Cl2 Fe H6 N2 -","- Cl2 Fe N2 -","- Cl4 Fe2 N4 -","2","0.125","","Bremm, S.; Meyer, G.","Reactivity of ammonium halides: action of ammonium chloride and bromide on iron and iron(III) chloride and bromide","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1875","1880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536539","11.975","","11.694","","3.856","","90","","90","","90","","539.977","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Er4 Ni13 C4","","- C4 Er4 Ni13 -","- C4 Er4 Ni13 -","- C8 Er8 Ni26 -","2","0.125","","Khalili, M.M.; Bodak, O.I.; Marusin, E.P.; Pecharskaya, A.O.","Crystal structures of Er4 Ni13 C4 and U W4 C4","Kristallografiya","1990","35","","337","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","164284","2020-10-21","18:00:00",""
"1536948","12.111","","19.978","","4.395","","90","","90","","90","","1063.39","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Dy2 Pt7 In16","","- Dy2 In16 Pt7 -","- Dy2 In16 Pt7 -","- Dy4 In32 Pt14 -","2","0.125","","Zaremba, V.; Rodewald, U.; Dubenskiy, V.; Kal'ichak, Ya.M.; Hoffmann, R.D.; Poettgen, R.","Complex three-dimensional platinum-indium networks in the ternary indides Dy2 Pt7 In16 and Tb6 Pt12 In23","Journal of Solid State Chemistry","2002","169","","118","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","164861","2020-10-21","18:00:00",""
"1537038","16.115","","17.206","","4.328","","90","","90","","90","","1200.05","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","La4 Br2 Al5","","- Al5 Br2 La4 -","- Al5 Br2 La4 -","- Al20 Br8 La16 -","4","0.25","","Zheng Chong; Mattausch, H.J.; Simon, A.; Nuss, J.; Oeckler, O.","La4 Br2 Al5 and Ce4 Br2 Ga5: three-dimensional metal networks embedded in condensed Ln6 trigonal prisms","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2229","2235","","","","","","","","","","","","","","","","","","","","","","has coordinates","165008","2020-10-21","18:00:00",""
"1537041","15.9015","","17.0341","","4.2612","","90","","90","","90","","1154.22","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","La4.15 Br2 Ga4.69","","- Br2 Ga4.69 La4.15 -","- Br2 Ga4.692 La4.154 -","- Br8 Ga18.768 La16.616 -","4","0.25","","Zheng Chong; Mattausch, H.J.; Oeckler, O.; Simon, A.; Nuss, J.","La4 Br2 Al5 and Ce4 Br2 Ga5: three-dimensional metal networks embedded in condensed Ln6 trigonal prisms","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2229","2235","","","","","","","","","","","","","","","","","","","","","","has coordinates","165013","2020-10-21","18:00:00",""
"1537044","15.796","","16.795","","4.2344","","90","","90","","90","","1123.36","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ce4 Br2 Ga5","","- Br2 Ce4 Ga5 -","- Br2 Ce4 Ga5 -","- Br8 Ce16 Ga20 -","4","0.25","","Zheng Chong; Simon, A.; Oeckler, O.; Mattausch, H.J.; Nuss, J.","La4 Br2 Al5 and Ce4 Br2 Ga5: three-dimensional metal networks embedded in condensed Ln6 trigonal prisms","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2229","2235","","","","","","","","","","","","","","","","","","","","","","has coordinates","165017","2020-10-21","18:00:00",""
"1537120","4.0935","","25.984","","4.1746","","90","","90","","90","","444.033","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ce3 Ni3.10 Si6.90","","- Ce3 Ni3.1 Si6.9 -","- Ce3 Ni3.124 Si6.876 -","- Ce6 Ni6.248 Si13.752 -","2","0.125","","Fritsch, V.; Bobev, S.; Thompson, J.D.; Sarrao, J.L.","Antiferromagnetic order in Ce3 Ni(2+x) Si(8-x)","Journal of Alloys Compd.","2005","388","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","165137","2020-10-21","18:00:00",""
"1537123","4.1257","","26.167","","4.2186","","90","","90","","90","","455.428","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- La3 Ni3 Si7 -","- La3 Ni3.01 Si6.99 -","- La6 Ni6.02 Si13.98 -","2","0.125","","Fritsch, V.; Bobev, S.; Thompson, J.D.; Sarrao, J.L.","Antiferromagnetic order in Ce3 Ni(2+x) Si(8-x)","Journal of Alloys Compd.","2005","388","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537133","10.4732","","7.3876","","3.7152","","90","","90","","90","","287.452","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ta1.17 Y2.83 O7.14","","- O7.14 Ta1.17 Y2.83 -","- O7.136 Ta1.172 Y2.828 -","- O14.272 Ta2.344 Y5.656 -","2","0.125","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= Rare-earth, Y or Sc, M= Nb, Sb or Ta III. Structure of the non-stoichiometric Y3 Ta O7 phase","Journal of Solid State Chemistry","1979","27","","287","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","165152","2020-10-21","18:00:00",""
"1537164","23.189","","7.2489","","6.9376","","90","","90","","90","","1166.17","","","","","","","","","","","","","7","C m m m","-C 2 2","65","","Cs4.34 Na1.90 (Ti (Ti0.80 Nb0.18)4 Si12 O34 (O H)5) (H2 O)5.37","","- Cs4.34 H15.74 Na1.9 Nb0.72 O44.37 Si12 Ti4.2 -","- Cs4.3448 Na1.92 Nb0.72 O44.376 Si12 Ti4.1832 -","- Cs4.3448 Na1.92 Nb0.72 O44.376 Si12 Ti4.1832 -","1","0.0625","","Zubkova, N.V.; Giester, G.; Pushcharovsky, D.Yu.; Pekov, I.V.; Tillmanns, E.; Chukanov, N.V.; Turchkova, A.G.","Crystal structures of K- and Cs-exchanged forms of Zorite","Kristallografiya","2005","50","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537168","23.262","","7.247","","6.966","","90","","90","","90","","1174.33","","","","","","","","","","","","","7","C m m m","-C 2 2","65","","K4.75 Na1.82 (Ti (Ti0.79 Nb0.20)4 Si12 O34 (O H)5.2) (H2 O)10.62","","- H26.44 K4.75 Na1.82 Nb0.8 O49.82 Si12 Ti4.16 -","- K4.7472 Na1.8244 Nb0.8 O49.8176 Si12 Ti4.1588 -","- K4.7472 Na1.8244 Nb0.8 O49.8176 Si12 Ti4.1588 -","1","0.0625","","Zubkova, N.V.; Tillmanns, E.; Pushcharovsky, D.Yu.; Pekov, I.V.; Turchkova, A.G.; Giester, G.; Chukanov, N.V.","Crystal structures of K- and Cs-exchanged forms of Zorite","Kristallografiya","2005","50","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","165191","2020-10-21","18:00:00",""
"1537183","11.799","","12.21","","12.097","","90","","90","","90","","1742.76","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ba3 Ge4 -","- Ba3 Ge4 -","- Ba24 Ge32 -","8","0.5","","Zürcher, Fabio; Nesper, Reinhard","Ba~3~Ge~4~: Polymerization of Zintl Anions in the Solid and Bond Stretching Isomerism","Angewandte Chemie, International Edition","1998","37","23","3314","3318","10.1002/(sici)1521-3773(19981217)37:23<3314::aid-anie3314>3.0.co;2-l","","","","","","","","","","","","","","","","","","","","","has coordinates","218272","2020-10-21","18:00:00",""
"1537191","11.834","","12.229","","12.112","","90","","90","","90","","1752.82","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ba3 Ge3.94 Sn0.06 -","- Ba3 Ge3.941 Sn0.059 -","- Ba24 Ge31.528 Sn0.472 -","8","0.5","","Zuercher, F.; Nesper, R.; Faessler, T.F.; Hoffmann, S.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2211","2219","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537664","5.435","","5.463","","15.817","","90","","90","","90","","469.629","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Pb2 Sr2.24 Nd0.76 Cu3 O8","","- Cu3 Nd0.76 O8 Pb2 Sr2.24 -","- Cu3 Nd0.76 O8 Pb2 Sr2.24 -","- Cu6 Nd1.52 O16 Pb4 Sr4.48 -","2","0.125","","Cava, R.J.; Gallagher, P.K.; Batlogg, B.; Krajewski, J.J.; Rupp, L.W.jr.; Schneemeyer, L.F.; Siegrist, T.; Waszczak, J.V.; van Dover, R.B.; Hull, R.; Marsh, P.; Glarum, S.H.; Marshall, J.H.; Peck, W.F.jr.; Trevor, P.L.; Farrow, R.F.C.","Superconductivity near 70 K in a new family of layered copper oxides","Nature (London)","1988","336","","211","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","165965","2020-10-21","18:00:00",""
"1537734","14.752","","24.184","","4.3951","","90","","90","","90","","1568.01","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ce4 Ni7 In8","","- Ce4 In8 Ni7 -","- Ce4 In8 Ni7 -","- Ce16 In32 Ni28 -","4","0.25","","Baranyak, V.M.; Kal'ichak, Ya.M.; Bruskov, V.A.; Zavalii, P.Yu.; Dmytrakh, O.V.","Crystal structure of the compounds RE4 Ni7 In8 (RE = La, Ce, Pr, Nd, Sm)","Kristallografiya","1988","33","","601","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","166048","2020-10-21","18:00:00",""
"1539694","5.3933","","5.4311","","15.7334","","90","","90","","90","","460.856","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Pb2 Sr2 Y Cu Cu2 O8","","- Cu3 O8 Pb2 Sr2 Y -","- Cu3 O8 Pb2 Sr2 Y -","- Cu6 O16 Pb4 Sr4 Y2 -","2","0.125","","Cava, R.J.; Santoro, A.; Marezio, M.; Krajewski, J.J.; Peck, W.F.jr.; Beech, F.","Neutron powder diffraction study of Pb2 Sr2 Y Cu3 O8, the prototype of a new family of superconductors","Physica C (Amsterdam)","1989","157","","272","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539715","46.56","","5.363","","8.873","","90","","90","","90","","2215.6","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Dy Fe6 Sn6 -","- Dy Fe6 Sn6 -","- Dy10 Fe60 Sn60 -","10","0.625","","Chafik El Idrissi, B.; Venturini, G.; Malaman, B.","Crystal structures of R Fe6 Sn6 (R = Sc, Y, Gd - Tm, Lu) rare-earth iron stannides","Materials Research Bulletin","1991","26","","1331","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539727","10.98","","5.5","","3.92","","90","","90","","90","","236.729","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ba Cu3 O4 -","- Ba Cu3 O4 -","- Ba2 Cu6 O8 -","2","0.125","","Bertinotti, A.; Hammann, J.; Luzet, D.; Vincent, E.","Structure of a new type of satellite phase in Y Ba2 Cu3 O7-delta","Physica C (Amsterdam)","1989","160","","227","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539975","7.023","","6.849","","3.514","","90","","90","","90","","169.025","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Cd (U O4)","","- Cd O4 U -","- Cd O4 U -","- Cd2 O8 U2 -","2","0.125","","Yamashita, T.; Fujino, T.; Tagawa, H.; Masaki, N.","The crystal structures of alpha- and beta- Cd U O4","Journal of Solid State Chemistry","1981","37","","133","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540195","5.353","","13.14","","5.4012","","90","","90","","90","","379.912","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","La2 Cu O3.95","","- Cu La2 O3.95 -","- Cu La2 O3.95 -","- Cu4 La8 O15.8 -","4","0.25","","Kajitani, T.; Hirabayashi, M.; Onozuka, T.; Yamaguchi, Y.; Yasukiko, S.","Displacement waves in La2 Cu O4-d and La1.85 Sr.15 Cu O4-d","Japanese Journal of Applied Physics, Part 2","1987","26","","1877","1880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540196","5.353","","13.14","","5.4012","","90","","90","","90","","379.912","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","La1.85 Sr.15 Cu O3.96","","- Cu La1.85 O3.96 Sr0.15 -","- Cu La1.85 O3.96 Sr0.15 -","- Cu4 La7.4 O15.84 Sr0.6 -","4","0.25","","Kajitani, T.; Onozuka, T.; Yamaguchi, Y.; Hirabayashi, M.; Yasukiko, S.","Displacement waves in La2 Cu O4-d and La1.85 Sr.15 Cu O4-d","Japanese Journal of Applied Physics, Part 2","1987","26","","1877","1880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540200","14.579","","14.579","","4.4","","90","","90","","90","","935.208","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Pr5 Ni6 In11","","- In11 Ni6 Pr5 -","- In11 Ni6 Pr5 -","- In22 Ni12 Pr10 -","2","0.125","","Kalychak, Ya.M.; Baranyak, V.M.; Zavalii, P.Yu.; Dmytrakh, O.V.; Bodak, O.I.","Crystal structure of the compounds La5 Ni6 In11, Ce5 Ni6 In11 and Pr5 Ni6 In11.","Soviet Physics, Crystallography (= Kristallografiya)","1987","32","","600","601","","","","","","","","","","","","","","","","","","","","","","has coordinates","169419","2020-10-21","18:00:00",""
"1540220","5.258","","8.759","","4.563","","90","","90","","90","","210.148","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Pt4 Pu -","- Pt4 Pu -","- Pt8 Pu2 -","2","0.125","","Land, C.C.; Peterson, D.E.; Roof, R.B.","Phase investigations of the Pu - Pt, Pu - Rh, and Pu - Pt - Rh systems","Journal of Nuclear Materials","1978","75","","262","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541286","5.471","","5.5078","","16.194","","90","","90","","90","","487.977","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Pb2 Ba2 Y Cu3 O8","","- Ba2 Cu3 O8 Pb2 Y -","- Ba2 Cu3 O8 Pb2 Y -","- Ba4 Cu6 O16 Pb4 Y2 -","2","0.125","","Nakabayashi, Y.; Imoto, S.; Hibiya, T.; Satoh, T.; Kubo, Y.","Synthesis and electrical properties of Pb2Ba2(Y1xCax)Cu3O8+y","Molecular Crystals and Liquid Crystals","1990","184","","171","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541939","20.67","","3.833","","3.927","","90","","90","","90","","311.129","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Nb3 O7 F","","- F Nb3 O7 -","- F Nb3 O7 -","- F2 Nb6 O14 -","2","0.125","","Andersson, S.","The Crystal Structure of Nb3 O7 F","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","2339","2344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542098","6.478","","10.496","","3.907","","90","","90","","90","","265.649","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ta3 O7 F","","- F O7 Ta3 -","- F O7 Ta3 -","- F2 O14 Ta6 -","2","0.125","","Vlasse, M.; Moriliere, C.; Pouchard, M.; Chaminade, J.P.","Structure cristalline de l'oxyfluorure de tantale Ta3 O7 F-alpha","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1975","98","","325","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1550517","10.082","","5.478","","2.495","","90","","90","","90","","137.797","","","","","","","","","","","","","3","C m m m","-C 2 2","65","FeSiO3","","post-perovskite II of FeSiO3","- Fe O3 Si -","- Fe O3 Si -","- Fe4 O12 Si4 -","4","0.25","","Cohen, R.E.; Lin, Y.","Prediction of a potential high-pressure structure of FeSiO3","Physical Review B","2014","90","","140102","140104","","","","","","","","","","","","","","","","","","","","","","has coordinates","213279","2020-10-21","18:00:00",""
"1551397","7.5075","0.0008","15.2605","0.0016","7.4436","0.0008","90","","90","","90","","852.8","0.16","298","2","298","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H10 Fe N6 Pt -","- C14 H10 Fe N6 Pt -","- C28 H20 Fe2 N12 Pt2 -","2","0.125","","Shun Sakaida; Kazuya Otsubo; Osami Sakata; Chulho Song; Akihiko Fujiwara; Masaki Takata; Hiroshi Kitagawa","Crystalline coordination framework endowed with dynamic gate-opening behaviour by being downsized to a thin film","Nature Chemistry","2016","8","","377","383","10.1038/nchem.2469","","","0.71073","MoKα","","0.0072","0.0072","","","0.0173","0.0173","","","","","","1.014","","","","has coordinates","215926","2020-10-21","18:00:00",""
"1559080","5.381","0.009","5.5186","0.0008","15.752","0.003","90","","90","","90","","467.8","0.8","","","293","","","","","","","","","6","C m m m","-C 2 2","65","Pb2Sr2Ho0.625Ca0.375Cu3O8","","","- Ca0.375 Cu3 Ho0.625 O8 Pb2 Sr2 -","- Ca0.375 Cu3 Ho0.625 O6 Pb2 Sr2 -","- Ca0.75 Cu6 Ho1.25 O12 Pb4 Sr4 -","2","0.125","","Jorgensen, J.-E.; Andersen, N. H.","Crystal Structure and Charge Localization in Pb2Sr2Ho0.625Ca0.375Cu3O8","Acta Chemica Scandinavica","1992","46","","122","125","10.3891/acta.chem.scand.46-0122","powder diffraction","neutron","1.079","","","","","","","","","","","","","","","","","","has coordinates","256405","2020-10-21","18:00:00",""
"1559443","5.378","0.003","5.421","0.003","15.688","0.007","90","","90","","90","","457.4","0.4","","","293","","","","","","","","","5","C m m m","-C 2 2","65","Pb2Sr2HoCu3O8","","","- Cu3 Ho O8 Pb2 Sr2 -","- Cu3 Ho O8 Pb2 Sr2 -","- Cu6 Ho2 O16 Pb4 Sr4 -","2","0.125","","Jorgensen, J.-E.; Andersen, N. H.","Neutron Diffraction Study of Pb2Sr2HoCu3O8","Acta Chemica Scandinavica","1991","45","","19","22","10.3891/acta.chem.scand.45-0019","powder diffraction","neutron","1.482","","","","","","","","","","","","","","","","","","has coordinates","258675","2020-11-02","10:20:18",""
"1563209","4.621","0.002","35.8","0.03","4.688","0.003","90","","90","","90","","775.5","0.9","293","2","293","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- La4 Sn10 -","- La4 Sn10 -","- La8 Sn20 -","2","0.125","","Dürr, Ines; Schwarz, Michael; Röhr, Caroline","The binary tin-rich lanthanum stannides La2Sn5 and La3Sn7—A structural and bond theoretical study","Journal of Solid State Chemistry","2011","184","8","2220","2230","10.1016/j.jssc.2011.06.035","","","0.7107","MoKα","","0.2838","0.2232","","","0.5057","0.5231","","","","","","1.251","","","","has coordinates","266256","2021-06-08","07:42:54",""
"1563210","4.592","0.004","26.19","0.02","4.681","0.005","90","","90","","90","","563","0.9","293","2","293","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- La3 Sn7 -","- La1.5 Sn3.5 -","- La6 Sn14 -","4","0.25","","Dürr, Ines; Schwarz, Michael; Röhr, Caroline","The binary tin-rich lanthanum stannides La2Sn5 and La3Sn7—A structural and bond theoretical study","Journal of Solid State Chemistry","2011","184","8","2220","2230","10.1016/j.jssc.2011.06.035","","","0.7107","MoKα","","0.3058","0.2713","","","0.4275","0.4543","","","","","","1.441","","","","has coordinates","266256","2021-06-08","07:42:55",""
"1563529","4.063","0.001","24.972","0.002","4.072","0.001","90","","90","","90","","413.15","0.15","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ru2 Si7 U3 -","- Ru1.834 Si6.668 U3 -","- Ru3.668 Si13.336 U6 -","2","0.125","","Pasturel, M.; Pikul, A.P.; Potel, M.; Roisnel, T.; Tougait, O.; Noël, H.; Kaczorowski, D.","Crystal structure and physical properties of the novel ternary intermetallics URuSi3−x and U3Ru2Si7","Journal of Solid State Chemistry","2010","183","8","1884","1890","10.1016/j.jssc.2010.06.008","","","0.71073","MoKα","","0.0435","0.0383","","","0.1018","0.1052","","","","","","1.064","","","","has coordinates","266493","2021-06-16","09:51:15",""
"1564774","13.6785","0.0013","16.9282","0.0015","9.6888","0.0008","90","","90","","90","","2243.5","0.3","298","","298","","","","150000","","","","","5","C m m m","-C 2 2","65","","","","- C34 H38 N2 O8 Zn2 -","- C34 H38 N2 O8 Zn2 -","- C68 H76 N4 O16 Zn4 -","2","0.125","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.1048","0.084","","0.3533","0.3163","0.2097","","","","","","1.0115","","","","has coordinates","269405","2021-09-30","22:17:02",""
"1564776","13.575","0.003","16.993","0.003","9.668","0.0011","90","","90","","90","","2230.2","0.7","298","","298","","","","200000","","","","","5","C m m m","-C 2 2","65","","","","- C34 H38 N2 O8 Zn2 -","- C34 H38 N2 O8 Zn2 -","- C68 H76 N4 O16 Zn4 -","2","0.125","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.1522","0.1134","","0.3634","0.3289","0.2867","","","","","","1.0149","","","","has coordinates","269405","2021-09-30","22:17:03",""
"1564789","7.2195","0.0003","22.5222","0.001","15.7802","0.0007","90","","90","","90","","2565.85","0.19","298","2","298","2","","","","","","","","5","C m m m","-C 2 2","65","","In(tcpp)","","- C16 H9 In N O5 -","- C16 H8 In N O5 -","- C64 H32 In4 N4 O20 -","4","0.25","","YIN, HUAQING; Tan, Kui; Jensen, Stephanie; Teat, Simon; Ullah, Saif; Hei, Xiuze; Velasco, Ever; Oyekan, Kolade; Meyer, Noah; Wang, Xin-Yao; Thonhauser, Timo; Yin, Xue-Bo; Li, Jing","Switchable sensor and scavenger: detection and removal of fluorinated chemical species by luminescent metal-organic framework","Chemical Science","2021","","","","","10.1039/D1SC04070G","","","0.7288","synchrotron","","0.0394","0.0337","","","0.0879","0.0942","","","","","","1.1","","","","has coordinates","269409","2021-09-30","22:20:33",""
"1564790","7.1852","0.0002","22.1619","0.0007","16.1168","0.0005","90","","90","","90","","2566.4","0.13","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C34 H20 In2 O10 -","- C34 H18 In2 O10 -","- C68 H36 In4 O20 -","2","0.125","","YIN, HUAQING; Tan, Kui; Jensen, Stephanie; Teat, Simon; Ullah, Saif; Hei, Xiuze; Velasco, Ever; Oyekan, Kolade; Meyer, Noah; Wang, Xin-Yao; Thonhauser, Timo; Yin, Xue-Bo; Li, Jing","Switchable sensor and scavenger: detection and removal of fluorinated chemical species by luminescent metal-organic framework","Chemical Science","2021","","","","","10.1039/D1SC04070G","","","1.54184","CuKα","","0.0503","0.0463","","","0.1688","0.1742","","","","","","1.32","","","","has coordinates","269409","2021-09-30","22:20:33",""
"1566721","8.774","0.01","27.47","0.03","8.771","0.009","90","","90","","90","","2114","4","375","2","375","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C20 Ag Bi Br8 N8 -","- C20 Ag Bi Br8 N8 -","- C40 Ag2 Bi2 Br16 N16 -","2","0.125","","Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei","The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap","Chemical Science","2022","","","","","10.1039/D1SC07045B","","","0.71073","MoKα","","0.1205","0.111","","","0.3167","0.3235","","","","","","1.244","","","","has coordinates","274136","2022-03-30","22:15:33",""
"1567276","40.568","0.002","41.959","0.002","19.6114","0.0013","90","","90","","90","","33382","3","250","","250","","","","","","","","","7","C m m m","-C 2 2","65","","","","- C232 H122 F16 N20 O48 S5 Y12 -","- C232 H122 F16 N20 O48 S5 Y12 -","- C464 H244 F32 N40 O96 S10 Y24 -","2","0.125","","Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing","Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks","Chemical Science","2022","13","32","9321","9328","10.1039/D2SC02683J","","","1.54178","CuKα","","0.0743","0.0589","","","0.1711","0.1807","","","","","","0.95","","","","has coordinates,has disorder","277650","2022-09-06","09:51:26",""
"1567277","21.358","0.01","35.038","0.016","20.494","0.009","90","","90","","90","","15337","12","173","","173","","","","","","","","","7","C m m m","-C 2 2","65","","","","- C47.48 H22.51 F4 N3 O12.97 S Y3 -","- C47.453 H23.453 F4 N3 O12.906 S Y3 -","- C189.812 H93.812 F16 N12 O51.624 S4 Y12 -","4","0.25","","Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing","Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks","Chemical Science","2022","13","32","9321","9328","10.1039/D2SC02683J","","","1.34139","GaKα","","0.1227","0.0853","","","0.223","0.253","","","","","","0.922","","","","has coordinates,has disorder","277650","2022-09-06","09:51:27",""
"2002771","9.255","0.001","6.683","0.001","6.696","0.003","90","","90","","90","","414.2","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Silver sodium calcium ruthenium oxide (0.4/2.3/4.3/1/8)","","- Ag0.4 Ca4.3 Na2.3 O8 Ru -","- Ag0.4096 Ca4.304 Na2.2864 O8 Ru -","- Ag0.8192 Ca8.608 Na4.5728 O16 Ru2 -","2","0.125","","Mueller-Buschbaum, Hk; Frenzen, S","Eine silberhaltige Phase eines Oxoruthenats: Ag0.4 Na2.3 Ca4.3 Ru O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","485","488","","","","","","","0.0407","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008205","11.688","0.002","12.561","0.004","3.945","0.001","90","","90","","90","","579.2","0.3","296","","","","","","","","","","","5","C m m m","-C 2 2","65","","μ-4,4'-bipyridylium di-μ-bromide-mercury(II)","","- C10 H8 Br2 Hg N2 -","- C10 H8 Br2 Hg N2 -","- C20 H16 Br4 Hg2 N4 -","2","0.125","BM1222","Pan, Long; Zheng, Nengwu; Wu, Yonggang; Yu, Shichun; Huang, Xiaoying","Poly[mercury(II)-μ-4,4'-bipyridine-di-μ-bromo]","Acta Crystallographica Section C","1999","55","3","343","345","10.1107/S0108270198006325","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","1.25","","","","has coordinates","198516","2020-10-21","18:00:00",""
"2015819","3.9788","0.0007","21.203","0.004","3.6583","0.0007","90","","90","","90","","308.62","0.1","295","2","295","2","","","","","","","","3","C m m m","-C 2 2","65","Trimagnesium dinickel diterbium","diterbium dinickel trimagnesium","","- Mg3 Ni2 Tb2 -","- Mg3 Ni2 Tb2 -","- Mg6 Ni4 Tb4 -","2","0.125","SQ3057","Solokha, Pavlo; De Negri, Serena; Saccone, Adriana; Pavlyuk, Volodymyr; Marciniak, Bernard; Tedenac, Jean-Claude","Tb~2~Ni~2~Mg~3~: a new structure type derived from the Ru~3~Al~2~B~2~ type","Acta Crystallographica Section C","2007","63","2","i13","i16","10.1107/S0108270107001503","","","0.71073","MoKα","","0.0352","0.0323","","","0.0764","0.078","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015960","11.6289","0.0017","12.179","0.002","3.8538","0.0007","90","","90","","90","","545.81","0.16","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","[HgCl~2~(4,4'-Bipy)]~n~","poly[μ~2~-4,4'-bipyridyl-di-μ~2~-chloro-mercury(II)]","","- C10 H8 Cl2 Hg N2 -","- C10 H8 Cl2 Hg N2 -","- C20 H16 Cl4 Hg2 N4 -","2","0.125","LN3048","Yi-Ming Xie; Ji-Huai Wu","The layered compound poly[μ~2~-4,4'-bipyridyl-di-μ~2~-chlorido-mercury(II)]","Acta Crystallographica Section C","2007","63","5","m220","m221","10.1107/S0108270107016800","","","0.71073","MoKα","","0.0188","0.0188","","","0.0451","0.0451","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016176","11.787","0.003","12.554","0.003","3.9242","0.0007","90","","90","","90","","580.7","0.2","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","poly[di-μ~2~-bromido-μ~2~-4,4'-bipyridine-cadmium(II)]","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.125","TR3011","Wen-Tong Chen; Xiao-Niu Fang; Qiu-Yan Luo; Ya-Ping Xu; Yan-Ping Duan","Poly[μ~2~-4,4'-bipyridine-di-μ~2~-bromido-cadmium(II)], with novel colour-tunable fluorescence","Acta Crystallographica Section C","2007","63","9","m398","m400","10.1107/S0108270107030028","","","0.71073","MoKα","","0.017","0.0168","","","0.0422","0.0423","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018564","4.1871","0.0001","21.1132","0.0006","4.3912","0.0001","90","","90","","90","","388.196","0.017","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","dilanthanum lithium hexagermanide","","- Ge11.58 La4 Li2 -","- Ge11.584 La4 Li2 -","- Ge11.584 La4 Li2 -","1","0.0625","FN3108","Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr","Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~","Acta Crystallographica Section C","2012","68","8","i60","i64","10.1107/S0108270112031526","","","0.71073","MoKα","","0.0244","0.0244","","","0.0586","0.0586","","","","","","1.195","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018565","4.1462","0.0001","21.0674","0.0006","4.3704","0.0001","90","","90","","90","","381.753","0.017","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","dilanthanum lithium tetragermanium disilicide","","- Ge4 La2 Li Si2 -","- Ge4 La2 Li Si2 -","- Ge8 La4 Li2 Si4 -","2","0.125","FN3108","Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr","Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~","Acta Crystallographica Section C","2012","68","8","i60","i64","10.1107/S0108270112031526","","","0.71073","MoKα","","0.0204","0.0204","","","0.0445","0.0445","","","","","","1.202","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2020171","6.62","","9.858","","8.066","","90","","90","","90","","526.387","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Zr F5 H3 O (H2 O)","","- F5 H5 O2 Zr -","- F5 O2 Zr -","- F20 O8 Zr4 -","4","0.25","","Charpin, P.; Lance, M.; Nierlich, M.; Vigner, J.; Lambard, J.","Structures of oxonium pentafluorozirconate mono- and dihydrates.","Acta Crystallographica C (39,1983-)","1988","44","","1698","1701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2100365","7.71021","0.00011","7.69428","0.00011","7.74755","0.0001","90","","90","","90","","459.62","0.011","","","","","","","","","","","","4","C m m m","-C 2 2","65","","","","- Al0.1 Nd0.7 O3 Ti0.9 -","- Al0.1 Nd0.7 O3 Ti0.9 -","- Al0.8 Nd5.6 O24 Ti7.2 -","8","0.5","BK5024","Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.","Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis","Acta Crystallographica Section B","2006","62","1","60","67","10.1107/S0108768105041066","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100983","20.79","0.01","12.453","0.006","4.149","0.001","90","","90","","90","","1074.2","0.8","","","","","","","","","","","","3","C m m m","-C 2 2","","","","","- Ba4 Nb14 O23 -","- Ba4 Nb14 O23 -","- Ba8 Nb28 O46 -","2","0.125","AB0304","Svensson, G.; Grins, J.","Structure of Ba~4~Nb~14~O~23~","Acta Crystallographica Section B","1993","49","4","626","631","10.1107/S0108768193003088","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102762","11.9099","0.0007","3.76253","0.00016","4.1754","0.0002","90","","90","","90","","187.105","0.016","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- D0.46 Li2 Si -","- D0.4635 Li2 Si -","- D1.854 Li8 Si4 -","4","0.25","WS5053","Wu, Hui; Hartman, Michael R.; Udovic, Terrence J.; Rush, John J.; Zhou, Wei; Bowman Jr, Robert C.; Vajo, John J.","Structure of the novel ternary hydrides Li~4~<i>Tt</i>~2~D (<i>Tt</i> = Si and Ge)","Acta Crystallographica Section B","2007","63","1","63","68","10.1107/S0108768106046465","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104257","5.906","0.002","20.618","0.008","16.719","0.006","90","","90","","90","","2035.9","1.3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","Tetrabarium Hexatitanium Tetrasilicate Monohydrate","Tetrabarium Hexatitanium Tetrasilicate Monohydrate","","- Ba4 H2 O25 Si4 Ti6 -","- Ba4 O25 Si4 Ti6 -","- Ba16 O100 Si16 Ti24 -","4","0.25","CK5034","Cadoni, Marcella; Bloise, Andrea; Ferraris, Giovanni; Merlino, Stefano","Order‒disorder character and twinning in the structure of a new synthetic titanosilicate: (Ba,Sr)~4~Ti~6~Si~4~O~24~·H~2~O","Acta Crystallographica Section B","2008","64","6","669","675","10.1107/S0108768108032631","","","0.71073","MoKα","","0.17","0.0886","","","0.1955","0.2388","","","","","","1.041","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105385","4.6","","15.45","","4.76","","90","","90","","90","","338.293","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ag3 Tl Te2","","- Ag3 Te2 Tl -","- Ag3 Te2 Tl -","- Ag6 Te4 Tl2 -","2","0.125","","Gelato, L.M.; Penzo, M.; Parthe, E.; Cenzual, K.","Inorganic structure types with revised space groups.I.","Acta Crystallographica B (39,1983-)","1991","47","","433","439","10.1107/s0108768191000903","","","","","","","","","","","","","","","","","","","","","has coordinates","194197","2020-10-21","18:00:00",""
"2108348","23.943","0.012","20.268","0.01","6.313","0.004","90","","90","","90","","3064","3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Br22.16 Cu28 O64 Pb17.06 Se16 -","- Br22.16 Cu28 O64 Pb17.06 Se16 -","- Br22.16 Cu28 O64 Pb17.06 Se16 -","1","0.0625","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0963","0.0726","","","0.2085","0.2308","","","","","","1.198","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2207684","3.9152","0.0005","20.948","0.003","3.9313","0.0006","90","","90","","90","","322.43","0.08","295","2","295","2","","","","","","","","3","C m m m","-C 2 2","65","Erbium Nickel Trisilicide","Erbium Nickel Trisilicon","","- Er Ni Si3 -","- Er Ni Si3 -","- Er4 Ni4 Si12 -","4","0.25","WM6110","Kończyk, J.; Demchenko, P.; Demchenko, G.; Bodak, O.; Marciniak, B.","Erbium nickel trisilicide, ErNiSi~3~","Acta Crystallographica Section E","2005","61","12","i259","i261","10.1107/S160053680503566X","","","0.71073","MoKα","","0.0166","0.0163","","","0.0396","0.0398","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2240183","12.975","0.005","25.115","0.009","6.452","0.009","90","","90","","90","","2102","3","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","Bis(propane-1,3-diaminium) hexafluoridoaluminate diaquatetrafluoridoaluminate tetrahydrate","","- C6 H36 Al2 F10 N4 O6 -","- C6 H36 Al2 F10 N4 O6 -","- C24 H144 Al8 F40 N16 O24 -","4","0.25","CV5471","Abdi, Insaf; Al-Sadhan, Khulood; Ben Ali, Amor","Crystal structure of bis(propane-1,3-diaminium) hexafluoridoaluminate diaquatetrafluoridoaluminate tetrahydrate","Acta Crystallographica Section E","2014","70","12","471","473","10.1107/S1600536814024155","","","0.71073","MoKα","","0.0883","0.0471","","","0.1145","0.1479","","","","","","1.116","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2310206","5.791","","6.756","","2.796","","90","","90","","90","","109.391","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ir V -","- Ir V -","- Ir4 V4 -","4","0.25","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II.","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310753","14.71","","22.07","","4.08","","90","","90","","90","","1324.57","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(N H4)2 (Cu Cl3)","","- Cl3 Cu H8 N2 -","- Cl3 Cu N2 -","- Cl24 Cu8 N16 -","8","0.5","","Brink, C.; van Arkel, A.E.","The crystal structure of (N H4)2 Cu Cl3 and (N H4)2 Cu Br3","Acta Crystallographica (1,1948-23,1967)","1952","5","","506","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000093","23.2272","0.0004","7.1751","0.0011","6.9727","0.0006","90","","90","","90","","1162.1","0.2","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- H17 Na8 O47.5 Si12 Ti5 -","- Na8 O47.5 Si12 Ti5 -","- Na8 O47.5 Si12 Ti5 -","1","0.0625","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1019","0.0677","","","0.1593","0.1795","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000094","23.19","0.005","7.2259","0.0013","6.9699","0.0013","90","","90","","90","","1167.9","0.4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Na0.8 O7.6 Si2.4 Sr0.8 Ti -","- Na0.2 O9.464 Si2.4 Sr0.8 Ti -","- Na O47.32 Si12 Sr4 Ti5 -","5","0.3125","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1111","0.0728","","","0.1692","0.1876","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002009","7.308","0.0004","9.315","0.0005","3.498","0.0002","90","","90","","90","","238.12","0.02","298","2","298","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Al B4 Si Yb -","- Al B4 Yb -","- Al4 B16 Yb4 -","4","0.25","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.0568","0.0568","","","0.1227","0.1227","","","","","","1.151","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002010","7.289","0.0003","9.286","0.0005","3.504","0.0002","90","","90","","90","","237.17","0.02","298","2","298","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al1.33 B5.33 Lu1.33 -","- Al1.33333 B5.33333 Lu1.33333 -","- Al4 B16 Lu4 -","3","0.1875","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.041","0.041","","","0.0986","0.0986","","","","","","1.185","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002324","23.2272","","7.1751","","6.9727","","90","","90","","90","","1162.05","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Na8 (Ti5 H2 Si12 O39) (H2 O)8.45","","- H18.9 Na8 O47.45 Si12 Ti5 -","- Na8 O47.45 Si12 Ti5 -","- Na8 O47.45 Si12 Ti5 -","1","0.0625","","Nair, S.; Jeong, H.-K.; Tsapatsis, M.; Chandrasekaran, A.; Kuznicki, S.M.; Braunbarth, C.","Synthesis and structure determination of ETS-4 single crystals","Chemistry of Materials (1,1989-)","2001","13","","4247","4254","","","","","","","","","","","","","","","","","","","","","","has coordinates","147220","2020-10-21","18:00:00",""
"4002325","23.19","","7.2259","","6.9699","","90","","90","","90","","1167.94","","","","","","","","","","","","","6","C m m m","-C 2 2","65","","Na0.5 Sr4 (Ti5 H1.5 Si12 O39) (H2 O)8.05","","- H17.6 Na0.5 O47.05 Si12 Sr4 Ti5 -","- Na0.5 O47.05 Si12 Sr4 Ti5 -","- Na0.5 O47.05 Si12 Sr4 Ti5 -","1","0.0625","","Nair, S.; Jeong, H.-K.; Chandrasekaran, A.; Tsapatsis, M.; Braunbarth, C.; Kuznicki, S.M.","Synthesis and structure determination of ETS-4 single crystals","Chemistry of Materials (1,1989-)","2001","13","","4247","4254","","","","","","","","","","","","","","","","","","","","","","has coordinates","147222","2020-10-21","18:00:00",""
"4003034","21.4419","0.0008","42.3169","0.001","17.9262","0.0005","90","","90","","90","","16265.4","0.8","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-DCM","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1428","0.1295","","","0.3874","0.4043","","","","","","1.692","","","","has coordinates,has disorder","220453","2020-10-21","18:00:00",""
"4003036","21.1937","0.0018","42.4945","0.0015","17.8951","0.0006","90","","90","","90","","16116.6","1.6","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-Acetone","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1278","0.1175","","","0.3434","0.3607","","","","","","1.609","","","","has coordinates,has disorder","220455","2020-10-21","18:00:00",""
"4003037","25.7916","0.0015","41.7841","0.0011","16.8545","0.0004","90","","90","","90","","18163.7","1.2","149.99","0.1","149.99","0.1","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-40C","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54178","CuKα","","0.1232","0.1139","","","0.3225","0.3333","","","","","","1.078","","","","has coordinates,has disorder","220456","2020-10-21","18:00:00",""
"4003039","20.557","0.002","42.7525","0.0017","17.8758","0.0007","90","","90","","90","","15710.4","1.8","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-Ether","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1492","0.1298","","","0.3497","0.3751","","","","","","1.545","","","","has coordinates,has disorder","220458","2020-10-21","18:00:00",""
"4003040","21.0637","0.0007","42.3687","0.0011","18.0144","0.0004","90","","90","","90","","16076.8","0.8","150","0.1","150","0.1","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-80C","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1524","0.136","","","0.3562","0.3721","","","","","","1","","","","has coordinates,has disorder","220459","2020-10-21","18:00:00",""
"4102163","30.748","0.018","7.12","0.004","15.932","0.009","90","","90","","90","","3488","3","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","InPyrene","","","- C53 H53 In2 N3 O17 -","- C48 H24 In2 O10 -","- C96 H48 In4 O20 -","2","0.125","","Kyriakos C. Stylianou; Romain Heck; Samantha Y. Chong; John Bacsa; James T. A. Jones; Yaroslav Z. Khimyak; Darren Bradshaw; Matthew J. Rosseinsky","A Guest-Responsive Fluorescent 3D Microporous Metal-Organic Framework Derived from a Long-Lifetime Pyrene Core","Journal of the American Chemical Society","2010","132","","4119","4130","10.1021/ja906041f","","","0.71073","synchrotron","","0.0943","0.063","","","0.164","0.1741","","","","","","0.975","","","","has coordinates,has disorder","178767","2020-10-21","18:00:00",""
"4105217","8.4902","0.0005","11.6888","0.0009","7.6132","0.0005","90","","90","","90","","755.54","0.09","296","2","296","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Cs2 K O14 Si4 U2 -","- Cs2 K O14 Si4 U2 -","- Cs4 K2 O28 Si8 U4 -","2","0.125","","Cheng-Shiuan Lee; Sue-Lein Wang; Kwang-Hwa Lii","Cs2K(UO)2Si4O12: A Mixed-Valence Uranium(IV,V) Silicate","Journal of the American Chemical Society","2009","131","","15116","15117","10.1021/ja9071805","","","0.71073","MoKα","","0.0142","0.0138","","","0.0345","0.0347","","","","","","1.195","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4115747","23.3007","0.0005","25.0356","0.0001","11.6313","0.0002","90","","90","","90","","6785.08","0.19","223","2","223","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- C28 H32 O12 -","- C28 H16 O12 -","- C224 H128 O96 -","8","0.5","","Byung Hee Hong; Jin Yong Lee; Chi-Wan Lee; Jong Chan Kim; Sung Chul Bae; Kwang S. Kim","Self-Assembled Arrays of Organic Nanotubes with Infinitely Long One-Dimensional H-Bond Chains","Journal of the American Chemical Society","2001","123","","10748","10749","10.1021/ja016526g","","","0.71073","MoKα","","0.1104","0.0866","","","0.2891","0.3146","","","","","","1.206","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4117268","19.653","0.003","44.127","0.006","14.543","0.002","90","","90","","90","","12612","3","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C108 H36 O91 Zn18.66 -","- C108 H36 O91 Zn18.67 -","- C216 H72 O182 Zn37.34 -","2","0.125","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.1357","0.1241","","","0.3302","0.3413","","","","","","1.061","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4118396","3.989","0.0014","15.243","0.005","4.5365","0.0016","90","","90","","90","","275.84","0.16","200","2","200","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Eu1.6 Ge2 Pb Sr0.4 -","- Eu1.596 Ge2 Pb Sr0.404 -","- Eu3.192 Ge4 Pb2 Sr0.808 -","2","0.125","","Nian-Tzu Suen; James Hooper; Eva Zurek; Svilen Bobev","On the Nature of Ge-Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide-Plumbides","Journal of the American Chemical Society","2012","134","","12708","12716","10.1021/ja3042838","","","0.71073","MoKα","","0.0297","0.0279","","","0.0601","0.0605","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122468","6.957","0.0014","12.76","0.003","14.536","0.003","90","","90","","90","","1290.4","0.5","173","2","173","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H20 Au Cl3 N4 -","- C11 H18 Au Cl3 N4 -","- C22 H36 Au2 Cl6 N8 -","2","0.125","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0519","0.0519","","","0.136","0.136","","","","","","1.23","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4124613","3.9313","","11.5629","","3.4926","","90","","90","","90","","158.764","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sr (Cu2 O3)","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.125","","Azuma, M.; Yoshida, H.; Saito, T.; Yamada, T.; Takano, M.","Pressure-induced buckling of spin ladder in Sr Cu2 O3","Journal of the American Chemical Society","2004","126","","8244","8246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4126723","18.7781","0.001","35.2745","0.0008","16.0212","0.0003","90","","90","","90","","10612.3","0.6","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C40 H30 O18 Zr3 -","- C40 H30 O18 Zr3 -","- C160 H120 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.059","0.0485","","","0.1479","0.157","","","","","","1.078","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126724","35.1569","0.0004","20.1235","0.0006","15.6584","0.0002","90","","90","","90","","11078","0.4","100","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C80 H64 N4 O32 Zr6 -","- C80 H64 N4 O32 Zr6 -","- C160 H128 N8 O64 Zr12 -","2","0.125","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0608","0.054","","","0.1686","0.1767","","","","","","1.17","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4126725","35.2146","0.0009","19.7752","0.0016","15.7268","0.0006","90","","90","","90","","10951.8","1","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C42 H34 O18 Zr3 -","- C42 H34 O18 Zr3 -","- C168 H136 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Liu, Caiping; Lollar, Christina; Wu, Mingyan; Yuan, Daqiang; Zhou, Hong-Cai; Hong, Maochun","Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09973","","","1.54184","CuKα","","0.0616","0.0498","","","0.1549","0.1642","","","","","","1.077","","","","has coordinates","203088","2020-10-21","18:00:00",""
"4129811","11.0774","0.0007","13.8442","0.0008","4.5169","0.0003","90","","90","","90","","692.7","0.08","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","INT-1","","","- C4 I2 O2 Pb S2 -","- C4 I2 O2 Pb S2 -","- C8 I4 O4 Pb2 S4 -","2","0.125","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0484","0.047","","","0.1057","0.1079","","","","","","1.193","","","","has coordinates","240464","2020-10-21","18:00:00",""
"4132486","22.327","0.006","33.727","0.009","20.888","0.006","90","","90","","90","","15729","7","296","2","296","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 O16 Zr3 -","- C44 H22 O16 Zr3 -","- C176 H88 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1429","0.1085","","","0.3082","0.371","","","","","","1.632","","","","has coordinates","242459","2020-10-21","18:00:00",""
"4132487","23.566","","33.312","","20.631","","90","","90","","90","","16196","","296","2","296","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C53 H23 N O16 Zr3 -","- C53 H23 N O16 Zr3 -","- C212 H92 N4 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","Synchrotron","","0.1419","0.1055","","","0.28","0.3329","","","","","","1.392","","","","has coordinates","242460","2020-10-21","18:00:00",""
"4132488","23.159","0.003","33.299","0.004","20.824","0.002","90","","90","","90","","16059","3","273","2","273.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C58 H30 O16 Zr3 -","- C58 H30 O16 Zr3 -","- C232 H120 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","","","0.184","0.1238","","","0.3337","0.4419","","","","","","1.793","","","","has coordinates","242461","2020-10-21","18:00:00",""
"4132489","23.1484","0.0012","33.0429","0.0017","20.6518","0.0011","90","","90","","90","","15796.4","1.4","296","2","296","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C55 H28 O16 Zr3 -","- C55 H28 O16 Zr3 -","- C220 H112 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","Synchrotron","","0.1321","0.0905","","","0.2611","0.3141","","","","","","1.309","","","","has coordinates","242462","2020-10-21","18:00:00",""
"4132490","23.361","0.003","33.409","0.004","20.691","0.002","90","","90","","90","","16149","3","296","2","296.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C54 H26 O18 Zr3 -","- C54 H26 O18 Zr3 -","- C216 H104 O72 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41325","","","0.1032","0.0886","","","0.2616","0.2858","","","","","","1.109","","","","has coordinates","242463","2020-10-21","18:00:00",""
"4132492","21.1374","0.0011","33.1766","0.0018","21.4671","0.001","90","","90","","90","","15054.2","1.3","273","2","273.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C60 H30 O24 Zr3 -","- C60 H30 O16 Zr3 -","- C240 H120 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1176","0.1027","","","0.326","0.3457","","","","","","1.483","","","","has coordinates","242465","2020-10-21","18:00:00",""
"4132493","20.2175","0.0009","34.4927","0.0015","21.0753","0.0009","90","","90","","90","","14697","1.1","110","2","110","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 O16 Zr3 -","- C44 H22 O16 Zr3 -","- C176 H88 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.515","Synchrotron","","0.0776","0.0513","","","0.1522","0.1568","","","","","","1.006","","","","has coordinates","242466","2020-10-21","18:00:00",""
"4132494","20.5524","0.0017","34.409","0.002","21.016","0.0016","90","","90","","90","","14862.3","1.9","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 Hf3 O16 -","- C44 H22 Hf3 O16 -","- C176 H88 Hf12 O64 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.0808","0.0723","","","0.2391","0.2524","","","","","","1.183","","","","has coordinates","242467","2020-10-21","18:00:00",""
"4132495","23.2646","0.0012","32.332","0.0016","21.5466","0.001","90","","90","","90","","16207.2","1.4","120","2","120","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C63 H34 O16 Zr3 -","- C63 H33 O16 Zr3 -","- C252 H132 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41325","synchrotron","","0.0866","0.0767","","","0.249","0.264","","","","","","1.141","","","","has coordinates,has disorder","242468","2020-10-21","18:00:00",""
"4132922","18.7781","0.001","35.2745","0.0008","16.0212","0.0003","90","","90","","90","","10612.3","0.6","173","2","173","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C10 H5.5 N0 O4.5 Zr0.75 -","- C10 H5.5 O4.5 Zr0.75 -","- C160 H88 O72 Zr12 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0507","0.0452","","","0.1283","0.1308","","","","","","1.002","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132923","21.531","0.003","35.053","0.004","15.0898","0.0017","90","","90","","90","","11389","2","100","2","100","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C88 H44 O36 Zr6 -","- C88 H44 O36 Zr6 -","- C176 H88 O72 Zr12 -","2","0.125","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","0.71073","MoKα","","0.0941","0.0758","","","0.2164","0.2316","","","","","","1.052","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132924","23.1272","0.0007","34.0179","0.001","15.0243","0.0005","90","","90","","90","","11820.2","0.6","100","2","100.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C50 H24 O18 Zr3 -","- C50 H24 O18 Zr3 -","- C200 H96 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0829","0.0745","","","0.2034","0.2164","","","","","","1.087","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132925","23.1663","0.0006","34.0796","0.0008","14.9174","0.0004","90","","90","","90","","11777.3","0.5","100","2","100.01","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C54 H30 O18 Zr3 -","- C54 H28 O18 Zr3 -","- C216 H112 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.08","0.0716","","","0.209","0.2177","","","","","","1.073","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4133848","9.9132","0.0004","24.2676","0.0009","9.8306","0.0003","90","","90","","90","","2364.94","0.15","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C28 H56 Ce K N12 O28 -","- C34 Ce K N8 O24 -","- C68 Ce2 K2 N16 O48 -","2","0.125","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0541","0.0521","","","0.1329","0.1344","","","","","","1.087","","","","has coordinates,has disorder","245531","2020-10-21","18:00:00",""
"4133852","10.0505","0.0002","23.9473","0.0004","9.9458","0.0002","90","","90","","90","","2393.78","0.08","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H60 Ce N13 O28 -","- C34 Ce N9 O24 -","- C68 Ce2 N18 O48 -","2","0.125","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0413","0.041","","","0.0982","0.0984","","","","","","1.129","","","","has coordinates,has disorder","245532","2020-10-21","18:00:00",""
"4134961","9.8817","0.0006","19.0615","0.0015","7.877","0.0005","90","","90","","90","","1483.71","0.17","190","2","189.96","","","","","","","","","8","C m m m","-C 2 2","65","","","","- C22 H26 Cu F6 N4 O4 S2 Si -","- C22 H26 Cu F6 N4 O4 S2 Si -","- C44 H52 Cu2 F12 N8 O8 S4 Si2 -","2","0.125","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0751","0.0669","","","0.1928","0.2026","","","","","","1.078","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4304360","8.3138","0.0017","21.729","0.004","8.2981","0.0017","90","","90","","90","","1499.1","0.5","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Cu14.76 Ga7.51 Sc4 -","- Cu14.755 Ga7.507 Sc4 -","- Cu59.02 Ga30.028 Sc16 -","4","0.25","","Qisheng Lin; Sven Lidin; John D. Corbett","Synthesis, Structure, and Bonding of Sc4MgxCu15-xGa~7.5 (x= 0, 0.5). Two Incommensurately Modulated Scandium Substitution Derivatives of Cubic Mg2Cu6Ga5","Inorganic Chemistry","2008","47","","1020","1029","10.1021/ic701853c","","","0.71073","MoKα","","0.0346","0.0299","","","0.0649","0.0666","","","","","","1.108","","","","has coordinates","179081","2020-10-21","18:00:00",""
"4304361","8.3108","0.0017","21.719","0.004","8.3004","0.0017","90","","90","","90","","1498.2","0.5","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Cu14.5 Ga7.61 Mg0.5 Sc4 -","- Cu14.5 Ga7.608 Mg0.5 Sc4 -","- Cu58 Ga30.432 Mg2 Sc16 -","4","0.25","","Qisheng Lin; Sven Lidin; John D. Corbett","Synthesis, Structure, and Bonding of Sc4MgxCu15-xGa~7.5 (x= 0, 0.5). Two Incommensurately Modulated Scandium Substitution Derivatives of Cubic Mg2Cu6Ga5","Inorganic Chemistry","2008","47","","1020","1029","10.1021/ic701853c","","","0.71073","MoKα","","0.03","0.0272","","","0.067","0.0684","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310300","9.9151","0.0006","26.432","0.002","10.2116","0.0006","90","","90","","90","","2676.2","0.3","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ca18 In25.07 Li5 -","- Ca18 In25.072 Li5 -","- Ca36 In50.144 Li10 -","2","0.125","","Jiang-Gao Mao; Joanna Goodey; Arnold M. Guloy","Synthesis and Structure of Ca18Li5In25.07: A Novel Intergrowth of Li-Centered In12 Icosahedral Clusters and Electron-Precise Zintl Layers","Inorganic Chemistry","2004","43","","282","289","10.1021/ic034594t","","","0.71073","MoKα","","0.041","0.0313","","0.0947","0.0813","","","","1.074","1.142","1.142","","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4311399","14.4302","0.0011","15.9821","0.0012","12.3157","0.001","90","","90","","90","","2840.3","0.4","153","2","153","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C18 H62 Cl2 Co3 N22 O Re6 Te8 -","- C18 H70 Cl2 Co3 N22 O Re6 Te8 -","- C36 H140 Cl4 Co6 N44 O2 Re12 Te16 -","2","0.125","","Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers","New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine","Inorganic Chemistry","2004","43","","4833","4838","10.1021/ic040046j","","","0.71073","MoKα","","0.0614","0.0388","","","0.0856","0.0973","","","","","","1.252","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4313676","13.3914","0.0008","9.6345","0.0007","3.9568","0.0002","90","","90","","90","","510.5","0.05","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","Di lanthanumcyanamidenitridechloride","","","- C Cl La2 N3 -","- C Cl La2 N3 -","- C4 Cl4 La8 N12 -","4","0.25","","Radhakrishnan Srinivasan; Markus Ströbele; H.-Jürgen Meyer","Chains of [RE6] Octahedra Coupled by (NCN) Links in the Network Structure of RE2Cl(CN2)N. Synthesis and Structure of Two Novel Rare Earth Chloride Carbodiimide Nitrides with Structures Related to the RE2Cl3 Type","Inorganic Chemistry","2003","42","","3406","3411","10.1021/ic020685z","","","0.71073","MoKα","","0.0232","0.0185","","","0.0455","0.0467","","","","","","1.132","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4313677","13.3396","0.0011","9.5267","0.0008","3.9402","0.0005","90","","90","","90","","500.73","0.09","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","ceriumcyanamidenitridechloride","Diceriumcyanamidenitridechloride","","- C Ce2 Cl N3 -","- C Ce2 Cl N3 -","- C4 Ce8 Cl4 N12 -","4","0.25","","Radhakrishnan Srinivasan; Markus Ströbele; H.-Jürgen Meyer","Chains of [RE6] Octahedra Coupled by (NCN) Links in the Network Structure of RE2Cl(CN2)N. Synthesis and Structure of Two Novel Rare Earth Chloride Carbodiimide Nitrides with Structures Related to the RE2Cl3 Type","Inorganic Chemistry","2003","42","","3406","3411","10.1021/ic020685z","","","0.71073","MoKα","","0.0276","0.02","","","0.0485","0.0505","","","","","","1.027","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4315044","22.609","0.001","9.638","0.001","3.593","0.001","90","","90","","90","","782.9","0.2","293","","293","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C2 H12 Al5 F17 N6 -","- C2 Al5 F17 N6 -","- C4 Al10 F34 N12 -","2","0.125","","Karim Adil; Armel Le Bail; Marc Leblanc; Vincent Maisonneuve","Novel Layered Hybrid Fluoroaluminate in the Composition Space Diagram of the Al(OH)3-HguaCl-HFaq-EtOH System","Inorganic Chemistry","2010","49","","2392","2397","10.1021/ic9022882","powder diffraction","","","X-ray","","","","","","","","","3.3676","","","","","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4316108","6.8824","0.0009","7.5308","0.0009","5.5695","0.0007","90","","90","","90","","288.67","0.06","203","2","203","2","","","","","","","From Cis-N2F2","3","C m m m","-C 2 2","65","Fluorodiazonium antimonyhexafluoride","Fluorodiazonium antimonyhexafluoride","","- F7 N2 Sb -","- F7 N2 Sb -","- F14 N4 Sb2 -","2","0.125","","Karl O. Christe; David A. Dixon; Daniel J. Grant; Ralf Haiges; Fook S. Tham; Ashwani Vij; Vandana Vij; Tsang-Hsiu Wang; William W. Wilson","Dinitrogen Difluoride Chemistry. Improved Syntheses of cis- and trans-N2F2, Synthesis and Characterization of N2F+Sn2F9-, Ordered Crystal Structure of N2F+Sb2F11-, High-Level Electronic Structure Calculations of cis-N2F2, trans-N2F2, F2N=N, and N2F+, and Mechanism of the trans-cis Isomerization of N2F2","Inorganic Chemistry","2010","49","","6823","6833","10.1021/ic100471s","","x-ray","0.71073","MoKα","","0.0389","0.0389","","","0.0887","0.0887","","","","","","1.105","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4329497","6.9752","0.0019","34.029","0.009","4.5172","0.0012","90","","90","","90","","1072.2","0.5","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ge10 La7 Li8 -","- Ge10 La7 Li8 -","- Ge20 La14 Li16 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0385","0.024","","","0.0452","0.05","","","","","","0.981","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329498","6.9158","0.0011","33.667","0.005","4.4639","0.0007","90","","90","","90","","1039.3","0.3","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ce7 Ge10 Li8 -","- Ce7 Ge10 Li8 -","- Ce14 Ge20 Li16 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0456","0.031","","","0.0706","0.0786","","","","","","1.029","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329499","6.8879","0.0018","33.486","0.009","4.4376","0.0012","90","","90","","90","","1023.5","0.5","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ge10 Li8 Pr7 -","- Ge10 Li8 Pr7 -","- Ge20 Li16 Pr14 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0295","0.0233","","","0.0494","0.0516","","","","","","1.045","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329500","6.8859","0.0014","33.45","0.007","4.4289","0.0009","90","","90","","90","","1020.1","0.4","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ge10 Li8 Nd7 -","- Ge10 Li8 Nd7 -","- Ge20 Li16 Nd14 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0301","0.0206","","","0.0412","0.0437","","","","","","1.05","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329501","6.8148","0.0006","33.041","0.003","4.3693","0.0004","90","","90","","90","","983.83","0.15","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ge10 Li8 Sm7 -","- Ge10 Li8 Sm7 -","- Ge20 Li16 Sm14 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0221","0.0161","","","0.0355","0.0365","","","","","","0.966","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4330305","14.2343","0.0005","17.2526","0.001","7.2908","0.0003","90","","90","","90","","1790.47","0.14","295","","300","","","","","","","","","3","C m m m","-C 2 2","65","","","","- C12 Co N8 -","- C17.848 Cl1.28 Co N8 -","- C35.696 Cl2.56 Co2 N16 -","2","0.125","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","powder diffraction","","0.7","synchrotron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","179406","2020-10-21","18:00:00",""
"4330399","12.326","0.004","14.753","0.004","8.585","0.003","90","","90","","90","","1561.1","0.9","100","2","100","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H28 I K2 N2 O24 P8 Pt2 -","- C4 H12 I K2 N2 O24 P8 Pt2 -","- C8 H24 I2 K4 N4 O48 P16 Pt4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0172","0.017","","","0.0499","0.0499","","","","","","1.161","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330400","12.164","0.002","15.175","0.003","8.6247","0.0015","90","","90","","90","","1592","0.5","293","2","293","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H28 I K2 N2 O24 P8 Pt2 -","- C4 H8 I K2 N2 O24 P8 Pt2 -","- C8 H16 I2 K4 N4 O48 P16 Pt4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0158","0.0152","","","0.0384","0.0385","","","","","","0.952","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330406","12.36","0.002","14.891","0.003","8.6936","0.0015","90","","90","","90","","1600.1","0.5","100","2","100","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H28 I N2 O24 P8 Pt2 Rb2 -","- C4 I N2 O24 P8 Pt2 Rb2 -","- C8 I2 N4 O48 P16 Pt4 Rb4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0629","0.0538","","","0.1195","0.1234","","","","","","1.141","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330407","11.9661","0.0013","15.1128","0.0017","8.6299","0.001","90","","90","","90","","1560.6","0.3","293","2","293","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H24 I N2 O22 P8 Pt2 Rb2 -","- C4 I N2 O21.88 P8 Pt2 Rb2 -","- C8 I2 N4 O43.76 P16 Pt4 Rb4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0325","0.0307","","","0.0728","0.0735","","","","","","1.118","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330409","12.272","0.004","15.533","0.005","8.65","0.003","90","","90","","90","","1648.9","0.9","100","2","100","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H30 I N2 O25 P8 Pt2 Rb2 -","- C4 I N2 O25 P8 Pt2 Rb2 -","- C8 I2 N4 O50 P16 Pt4 Rb4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0348","0.031","","","0.0761","0.0772","","","","","","1.005","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4331418","6.26","","3.59","","10.34","","90","","90","","90","","232.375","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Fe (O H2)2 (O H) (Au (C N)2)2","","- C4 Au2 Fe N4 O2 -","- C4 Au2 Fe N4 O2 -","- C4 Au2 Fe N4 O2 -","1","0.0625","","Trudel, S.; Kaiser, C.; Sonier, J.E.; Tyagi, P.; Leznoff, D.B.; Pacradouni, V.; Lefebvre, J.","Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double aqua-bridged chains: SQUID and mueSR studies","Inorganic Chemistry","2009","48","","55","67","10.1021/ic801094m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335209","12.04909","0.00015","7.00406","0.00009","3.51307","0.00005","90","","90","","90","","296.477","0.007","298","3","298","3","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 N2 Ni -","- C4 Cl2 N2 Ni -","- C8 Cl4 N4 Ni2 -","2","0.125","","Miguel Cortijo; Santiago Herrero; Reyes Jiménez-Aparicio; Emilio Matesanz","Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N-N)] by Tailoring Their Crystal Structure","Inorganic Chemistry","2013","52","","7087","7093","10.1021/ic400632c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","4.8126","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4341414","5.564","0.003","19.959","0.011","5.563","0.003","90","","90","","90","","617.8","0.6","90","2","90","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Cu1.09 La P2 -","- Cu1.093 La P2.003 -","- Cu8.744 La8 P16.024 -","8","0.5","","Wang, Jian; Lee, Kathleen; Kovnir, Kirill","Distorted Phosphorus and Copper Square-Planar Layers in LaCu1+xP2 and LaCu4P3: Synthesis, Crystal Structure, and Physical Properties.","Inorganic chemistry","2015","54","3","890","897","10.1021/ic502234w","","","0.71073","MoKα","","0.0228","0.0122","","","0.0267","0.0323","","","","","","1.122","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4343330","2.9217","0.0004","10.9991","0.0015","2.8563","0.0005","90","","90","","90","","91.79","0.02","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al B2 Fe2 -","- Al B2 Fe2 -","- Al2 B4 Fe4 -","2","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0219","0.0162","","","0.0352","0.0359","","","","","","0.972","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343332","2.9517","0.0004","21.28","0.003","3.013","0.0003","90","","90","","90","","189.25","0.04","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al B6 Cr4 -","- Al B6.08 Cr4 -","- Al2 B12.16 Cr8 -","2","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0467","0.0257","","","0.0382","0.0413","","","","","","0.797","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343334","2.9373","0.0003","11.0513","0.0012","2.9675","0.0003","90","","90","","90","","96.328","0.017","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al B2 Cr2 -","- Al B2 Cr2 -","- Al2 B4 Cr4 -","2","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71069","MoKα","","0.015","0.0135","","","0.0302","0.0304","","","","","","1.163","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343335","2.918","0.0004","11.0379","0.0018","2.8932","0.0005","90","","90","","90","","93.19","0.03","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al B2 Mn2 -","- Al B2 Mn2 -","- Al2 B4 Mn4 -","2","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0256","0.0229","","","0.0535","0.0542","","","","","","1.056","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343760","7.929","","8.326","","3.56","","90","","90","","90","","235.02","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","Os Cl4","","- Cl4 Os -","- Cl4 Os -","- Cl8 Os2 -","2","0.125","","Cotton, F.A.; Rice, C.E.","Structure of the high-temperature form of osmium(IV) chloride","Inorganic Chemistry","1977","16","","1865","1867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344110","4.1666","0.0004","24.982","0.002","4.1557","0.0003","90","","90","","90","","432.57","0.06","293","","293","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Fe2 Ge7 U3 -","- Fe2 Ge7 U3 -","- Fe4 Ge14 U6 -","2","0.125","","Henriques, Margarida S.; Gorbunov, Denis I.; Waerenborgh, João C; Pasturel, Mathieu; Andreev, Alexander V.; Dušek, Michal; Skourski, Yurii; Havela, Ladislav; Gonçalves, António P","Synthesis and Structural/Physical Properties of U3Fe2Ge7: A Single-Crystal Study.","Inorganic chemistry","2015","54","19","9646","9655","10.1021/acs.inorgchem.5b01736","","x-ray","0.71073","MoKα","","0.0416","0.0379","","","0.1106","0.1123","","","","1.79","1.79","1.74","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4346354","37.4162","0.0013","39.2677","0.0011","16.5126","0.0006","90","","90","","90","","24261.1","1.4","100","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C2 H6 B12 O33 V5 -","- C2 H6 B12 O33 V5 -","- C32 H96 B192 O528 V80 -","16","1","","Chen, Hong; Zhao, Huishuang; Yu, Zheng-Bao; Wang, Lei; Sun, Licheng; Sun, Junliang","Construct Polyoxometalate Frameworks through Covalent Bonds.","Inorganic chemistry","2015","54","17","8699","8704","10.1021/acs.inorgchem.5b01326","","","0.71073","MoKα","","0.1129","0.0888","","","0.2596","0.2741","","","","","","1.066","","","","has coordinates,has disorder","231741","2020-10-21","18:00:00",""
"4346643","14.639","0.002","21.8314","0.0016","9.7911","0.0011","90","","90","","90","","3129.1","0.6","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C22 H17 N5 O4 Zn -","- C22 H17 N5 O4 Zn -","- C88 H68 N20 O16 Zn4 -","4","0.25","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat; Demiral, Hakan","Effect of Solvent Molecule in Pore for Flexible Porous Coordination Polymer upon Gas Adsorption and Iodine Encapsulation.","Inorganic chemistry","2015","54","23","11283","11291","10.1021/acs.inorgchem.5b01869","","","0.707","CuKα","","0.1254","0.1026","","","0.2662","0.3033","","","","","","1.018","","","","has coordinates,has disorder","231898","2020-10-21","18:00:00",""
"4349578","7.1665","0.0014","32.669","0.007","17.06","0.003","90","","90","","90","","3994.1","1.4","293","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C66 H78 In2 N10 O20 -","- C48 H28 In2 N4 O10 -","- C96 H56 In4 N8 O20 -","2","0.125","","Luo, Jiahuan; Wang, Jing; Cao, Yu; Yao, Shuo; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","Assembly of an indium‒porphyrin framework JLU-Liu7: a mesoporous metal‒organic framework with high gas adsorption and separation of light hydrocarbons","Inorganic Chemistry Frontiers","2017","4","1","139","","10.1039/C6QI00440G","","","1.54178","CuKα","","0.0558","0.0489","","","0.1412","0.1459","","","","","","1.135","","","","has coordinates","234895","2020-10-21","18:00:00",""
"4500141","6.734","0.0013","10.885","0.002","6.565","0.0013","90","","90","","90","","481.21","0.16","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","Lithium acetate dihydrate","Lithium acetate dihydrate","","- C2 H7 Li O4 -","- C2 H7.08 Li O4 -","- C8 H28.32 Li4 O16 -","4","0.25","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7293","Synchrotron","","0.0356","0.0354","","","0.079","0.0792","","","","","","1.112","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4509506","6.54","0.003","10.739","0.003","6.74","0.003","90","","90","","90","","473.4","0.3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","4,4'-bipyrazolium hexafluorosilicate","","- C6 H8 F6 N4 Si -","- C6 H8 F6 N4 Si -","- C12 H16 F12 N8 Si2 -","2","0.125","","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","","0.0338","0.0292","","","0.076","0.0789","","","","","","1.073","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4512834","6.8353","0.0016","32.355","0.004","16.896","0.0019","90","","90","","90","","3736.7","1.1","293","","293","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C52 H30 Fe3 N6 O10 -","- C52 H30 Fe3 N6 O10 -","- C104 H60 Fe6 N12 O20 -","2","0.125","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71069","MoKα","","0.1727","0.0942","","0.0783","0.0711","0.0698","","","","","","1.0607","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4514405","23.1534","0.0007","33.9456","0.0011","15.025","0.0004","90","","90","","90","","11809","0.6","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C50 H33 O18 Zr3 -","- C50 H33 O18 Zr3 -","- C200 H132 O72 Zr12 -","4","0.25","","Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai","Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers.","ACS applied materials & interfaces","2019","11","25","22390","22397","10.1021/acsami.9b05091","","","1.54184","CuKα","","0.0791","0.063","","","0.1613","0.1653","","","","","","1.11","","","","has coordinates,has disorder","223174","2020-10-21","18:00:00",""
"4515272","3.899257","0.000075","21.90051","0.00056","3.883766","0.00008","90","","90","","90","","331.657","0.013","300","","300","","","","","","","","","5","C m m m","-C 2 2","65","","","","- Bi0.04 K2 La1.96 O14 Ta4 -","- Bi0.04 K2 La1.96 O14 Ta4 -","- Bi0.04 K2 La1.96 O14 Ta4 -","1","0.0625","","Zhou, Guojun; Jiang, Xingxing; Zhao, Jing; Molokeev, Maxim; Lin, Zheshuai; Liu, Quanlin; Xia, Zhiguo","Two-Dimensional-Layered Perovskite ALaTa<sub>2</sub>O<sub>7</sub>:Bi<sup>3+</sup> (A = K and Na) Phosphors with Versatile Structures and Tunable Photoluminescence.","ACS applied materials & interfaces","2018","10","29","24648","24655","10.1021/acsami.8b08129","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.92","1.927","","","","","","","has coordinates","225439","2020-10-21","18:00:00",""
"4515584","7.0996","0.0004","33.5115","0.0018","16.7335","0.0009","90","","90","","90","","3981.2","0.4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.54 N O2.25 -","- C12 H6 In0.545 N O2.26 -","- C96 H48 In4.36 N8 O18.08 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0941","0.0817","","","0.2059","0.2155","","","","","","1.131","","","","has coordinates,has disorder","225735","2020-10-21","18:00:00",""
"4515585","7.125","","33.622","","16.583","","90","","90","","90","","3972.57","","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.75 N O2.73 -","- C12 H6 In0.75 N O2.732 -","- C96 H48 In6 N8 O21.856 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0445","0.0425","","","0.119","0.1202","","","","","","1.088","","","","has coordinates,has disorder","225736","2020-10-21","18:00:00",""
"4515586","7.0725","0.0001","33.2883","0.0006","16.666","0.0003","90","","90","","90","","3923.7","0.11","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C48 H24 In2 N4 Ni O10 -","- C48 H24 In2 N4 Ni O10 -","- C96 H48 In4 N8 Ni2 O20 -","2","0.125","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0453","0.0424","","","0.1285","0.1306","","","","","","1.085","","","","has coordinates","225737","2020-10-21","18:00:00",""
"4519138","15.118","0.003","27.648","0.006","25.134","0.005","90","","90","","90","","10506","4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C40 H28 N4 O16 Zr3 -","- C40 H28 N4 O16 Zr3 -","- C160 H112 N16 O64 Zr12 -","4","0.25","","Wang, Xiaoning; Zhang, Yan; Shi, Zhixiong; Lu, Tingting; Wang, Qiang; Li, Bao","Multifunctional Zr-MOF Based on Bisimidazole Tetracarboxylic Acid for pH Sensing and Photoreduction of Cr(VI).","ACS applied materials & interfaces","2021","13","45","54217","54226","10.1021/acsami.1c18130","","","0.71073","MoKα","","0.0737","0.0672","","","0.2113","0.2213","","","","","","1.129","","","","has coordinates","271019","2021-12-03","20:09:38",""
"4519369","17.105","0.011","28.211","0.018","15.588","0.01","90","","90","","90","","7522","8","298","2","298","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H20 Cu2 F6 N8 O5 Zr -","- C26 H20 Cu2 F6 N8 O5 Zr -","- C104 H80 Cu8 F24 N32 O20 Zr4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.1071","0.0811","","","0.2393","0.2589","","","","","","1.046","","","","has coordinates","274225","2022-04-03","18:52:53",""
"4519370","28.1998","0.0017","16.7324","0.001","15.648","0.001","90","","90","","90","","7383.5","0.8","296","2","296","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H19 Cu2 F6 N8 O5 Ti -","- C26 H20 Cu2 F6 N8 O5 Ti -","- C104 H80 Cu8 F24 N32 O20 Ti4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.055","0.0424","","","0.1451","0.1513","","","","","","1.092","","","","has coordinates","274226","2022-04-03","18:53:28",""
"4519371","28.295","0.004","16.336","","15.6802","0.0017","90","","90","","90","","7247.8","1.3","273","2","273","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H20 Cu2 F6 N8 O5 Si -","- C26 H20 Cu2 F6 N8 O5 Si -","- C104 H80 Cu8 F24 N32 O20 Si4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.0934","0.0531","","","0.0941","0.0973","","","","","","1.036","","","","has coordinates","274227","2022-04-03","18:54:02",""
"6000102","23.1962","","7.2381","","6.9652","","90","","90","","90","","1169.43","","","","","","","","","","","","","6","C m m m","","","","","","- H25 Na O51 Si12 Sr4 Ti5 -","","","","","","Braunbarth, C.; Hillhouse, H. W.; Tsapatsis, M.; Burton, A.; Lobo, R. F.; Jacubinas, R. M.; Kuznicki, S. M.","Structure of strontium ion-exchanged ETS-4 microporous molecular sieves","Chemistry of Materials","2000","12","","1857","1865","10.1021/cm9907211","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000305","18.6945","","5.7009","","4.1506","","90","","90","","90","","442.35","","","","","","","","","","","","","3","C m m m","","","","","","- B2 Na3 O -","","","","","","Albert, B.; Hofmann, K.","Synthesis, characterization, and crystal structure of Na3B20, determined and refined from X-ray and neutron powder data","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1999","625","","709","713","10.1002/(SICI)1521-3749(199905)625:5<709::AID-ZAAC709>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000615","19.004","","29.372","","3.565","","90","","90","","90","","1989.93","","","","","","","","","","","","","3","C m m m","","","","","","- Hf P Zr -","","","","","","Zeng, L. M.; Franzen, H. F.","The crystal structure of HfZrP","Journal of Alloys and Compounds","1998","270","","119","122","10.1016/S0925-8388(98)00522-2","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7002482","16.835","0.004","14.862","0.004","14.532","0.004","90","","90","","90","","3635.9","1.6","153","2","153","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C44 H64 Cd2 N9 O16 -","- C24 Cd2 N3.04 O12 -","- C48 Cd4 N6.08 O24 -","2","0.125","","Hao, Xiang-Rong; Wang, Xin-Long; Su, Zhong-Min; Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Fu, Yao-Mei","Two unprecedented porous anionic frameworks: organoammonium templating effects and structural diversification","Dalton Transactions","2009","","40","8562","8566","10.1039/b906728k","","","0.71073","MoKα","","0.0645","0.0409","","","0.0942","0.103","","","","","","0.98","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7017461","7.5423","0.0009","26.318","0.003","12.5387","0.0014","90","","90","","90","","2488.9","0.5","98","2","98","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C3 H4.38 N3 Ni0.25 O1.31 -","- C3 H1.75 N3 Ni0.25 -","- C48 H28 N48 Ni4 -","16","1","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.069","0.0576","","","0.1319","0.1374","","","","","","1.09","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7034683","7.0918","0.0003","28.8888","0.0015","19.0752","0.0006","90","","90","","90","","3908","0.3","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C18 H12 Cl1.38 Cu2 N6 O4 -","- C18 H12 Cl1.375 Cu2 N6 O4 -","- C72 H48 Cl5.5 Cu8 N24 O16 -","4","0.25","","Chen, Di-Ming; Ma, Jian-Gong; Cheng, Peng","Solvent-induced secondary building unit (SBU) variations in a series of Cu(ii) metal-organic frameworks derived from a bifunctional ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8926","8931","10.1039/c5dt00994d","","","0.71073","MoKα","","0.0714","0.0623","","","0.197","0.2075","","","","","","1.118","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7038655","14.346","0.007","16.509","0.004","9.714","0.003","90","","90","","90","","2300.6","1.4","298","2","298","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0767","0.064","","","0.2021","0.2349","","","","","","1.141","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038656","13.966","0.002","16.692","0.003","9.6406","0.0012","90","","90","","90","","2247.4","0.6","250","2","250","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0481","0.0463","","","0.147","0.1493","","","","","","1.231","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038657","13.5779","0.0009","16.9882","0.0011","9.6192","0.0006","90","","90","","90","","2218.8","0.2","200","2","200","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0546","0.0508","","","0.1548","0.1583","","","","","","1.156","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038658","13.5015","0.0008","17.0533","0.001","9.6093","0.0005","90","","90","","90","","2212.5","0.2","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0586","0.0545","","","0.1611","0.1652","","","","","","1.126","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038659","13.4307","0.0009","17.0964","0.001","9.5948","0.0006","90","","90","","90","","2203.1","0.2","100","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0645","0.0623","","","0.1766","0.1786","","","","","","1.122","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7041360","7.16","0.002","34.398","0.011","19.626","0.004","90","","90","","90","","4834","2","150","","150","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H12 Fe0.75 N5.5 O0.5 -","- C14 H12 Fe0.75 N5.5 O0.5 -","- C112 H96 Fe6 N44 O4 -","8","0.5","","Abeykoon, Brian; Grenèche, Jean-Marc; Jeanneau, Erwann; Chernyshov, Dmitry; Goutaudier, Christelle; Demessence, Aude; Devic, Thomas; Fateeva, Alexandra","Tuning the iron redox state inside a microporous porphyrinic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","517","523","10.1039/c6dt04208b","","x-ray","0.71073","MoKα","","0.124","0.0891","","0.2757","0.215","0.2757","","","","","","1.0065","","","","has coordinates","191589","2020-10-21","18:00:00",""
"7041361","6.753","0.0002","35.275","0.0011","19.2653","0.0009","90","","90","","90","","4589.2","0.3","250","","250","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C52 H24 Fe3 N22 O2 -","- C52 H24 Fe3 N22 O2 -","- C104 H48 Fe6 N44 O4 -","2","0.125","","Abeykoon, Brian; Grenèche, Jean-Marc; Jeanneau, Erwann; Chernyshov, Dmitry; Goutaudier, Christelle; Demessence, Aude; Devic, Thomas; Fateeva, Alexandra","Tuning the iron redox state inside a microporous porphyrinic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","517","523","10.1039/c6dt04208b","","x-ray","0.95374","synchrotron","","0.0611","0.0529","","0.1349","0.1291","0.1349","","","","","","0.9586","","","","has coordinates","191589","2020-10-21","18:00:00",""
"7043535","4.0031","0.0008","20.739","0.004","4.1624","0.0009","90","","90","","90","","345.56","0.12","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.26 Gd Ge3 -","- Al0.27 Gd Ge3 -","- Al1.08 Gd4 Ge12 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0276","0.0258","","","0.0453","0.0455","","","","","","1.904","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043536","4.074","0.002","21.019","0.011","4.261","0.002","90","","90","","90","","364.9","0.3","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.38 Ge3 Nd -","- Al0.39 Ge3 Nd -","- Al1.56 Ge12 Nd4 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0372","0.0363","","","0.0771","0.0773","","","","","","1.107","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043537","3.9727","0.0018","20.653","0.009","4.1233","0.0019","90","","90","","90","","338.3","0.3","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.22 Ge3 Tb -","- Al0.21 Ge3 Tb -","- Al0.84 Ge12 Tb4 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0256","0.0238","","","0.0457","0.0463","","","","","","1.149","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043539","3.9608","0.0006","20.577","0.003","4.1055","0.0006","90","","90","","90","","334.6","0.09","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.21 Dy Ge3 -","- Al0.206 Dy Ge3 -","- Al0.824 Dy4 Ge12 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0203","0.02","","","0.0407","0.0408","","","","","","1.127","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043540","3.9484","0.001","20.541","0.005","4.0871","0.001","90","","90","","90","","331.48","0.14","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.17 Ge3 Ho -","- Al0.164 Ge3 Ho -","- Al0.656 Ge12 Ho4 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0211","0.0196","","","0.045","0.0456","","","","","","1.173","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7043541","4.04","0.003","20.88","0.014","4.21","0.003","90","","90","","90","","355.1","0.4","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al0.28 Ge3 Sm -","- Al0.26 Ge3 Sm -","- Al1.04 Ge12 Sm4 -","4","0.25","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0389","0.0362","","","0.0788","0.0797","","","","","","1.157","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7056981","16.844","0.0018","18.928","0.002","11.487","0.0013","90","","90","","90","","3662.3","0.7","150","2","150","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C44 H52 Au2 F12 N12 P2 -","- C44 H52 Au2 F12 N12 P2 -","- C88 H104 Au4 F24 N24 P4 -","2","0.125","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0611","0.0558","","","0.1632","0.1692","","","","","","1.487","","","","has coordinates","230309","2020-10-21","18:00:00",""
"7062871","20.1476","0.0002","7.3815","0.0003","7.3601","0.0003","90","","90","","90","","1094.59","0.06","293","","293","","","","","","","","","5","C m m m","-C 2 2","65","","Iron (4-Ethynylpyrdine) nitroprusside","","- C19 H10 Fe2 N8 O -","- C19 H10 Fe2 N8 O -","- C38 H20 Fe4 N16 O2 -","2","0.125","","Scanda, K.; Avila, Y.; Sánchez, L.; Mojica, R.; González, M.; Moreno, B. D.; Avila, Manuel; Reguera, E.","Thermally-induced spin-crossover (SCO) in Fe(4-ethynylpyrdine)2[Fe(CN)5NO]. Why is the SCO observed in 2D ferrous nitroprussides despite the NO–NC repulsive interaction in the interlayer region?","New Journal of Chemistry","2023","47","47","21834","21844","10.1039/D3NJ04638A","powder diffraction","","0.6868","synchrotron","","","","","","","","","7.2516","1.564","","","","","","","has coordinates","288850","2024-01-06","08:57:32",""
"7062872","19.7722","0.0002","7.1039","0.0003","7.0931","0.0003","90","","90","","90","","996.29","0.06","190","","190","","","","","","","","","5","C m m m","-C 2 2","65","","Iron (4-Ethynylpyrdine) nitroprusside","","- C19 H10 Fe2 N8 O -","- C19 H10 Fe2 N8 O -","- C38 H20 Fe4 N16 O2 -","2","0.125","","Scanda, K.; Avila, Y.; Sánchez, L.; Mojica, R.; González, M.; Moreno, B. D.; Avila, Manuel; Reguera, E.","Thermally-induced spin-crossover (SCO) in Fe(4-ethynylpyrdine)2[Fe(CN)5NO]. Why is the SCO observed in 2D ferrous nitroprussides despite the NO–NC repulsive interaction in the interlayer region?","New Journal of Chemistry","2023","47","47","21834","21844","10.1039/D3NJ04638A","powder diffraction","","0.6868","synchrotron","","","","","","","","","7.2516","1.564","","","","","","","has coordinates","288850","2024-01-06","08:57:39",""
"7107571","7.2772","0.0007","25.796","0.003","12.2464","0.0012","90","","90","","90","","2298.9","0.4","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C12 H7 Fe N12 -","- C12 H7 Fe N12 -","- C48 H28 Fe4 N48 -","4","0.25","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.0637","0.058","","","0.147","0.1499","","","","","","1.163","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107572","7.2589","0.0005","25.762","0.0016","12.2049","0.0009","90","","90","","90","","2282.4","0.3","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C12 H7 Fe N12 -","- C12 H7 Fe N12 -","- C48 H28 Fe4 N48 -","4","0.25","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.0739","0.0535","","","0.1345","0.1413","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7120179","6.61358","0.00013","31.881","0.002","16.8079","0.0012","90","","90","","90","","3543.9","0.3","293","","293","","","","","","","","","6","C m m m","-C 2 2","65","","Co-Al-PMOF","","- C96 H66.2 Al4 Co2 N8 O27.1 -","- C96 H52 Al4 Co2 N8 O27.104 -","- C96 H52 Al4 Co2 N8 O27.104 -","1","0.0625","","Lions, Mathieu; Tomasino, Jean-Bernard; Chattot, Raphael; Abeykoon, Brain; Guillou, Nathalie; Devic, Thomas; Demessence, Aude; Cardenas, Luis; Maillard, Frederic; Fateeva, Alexandra","Insights into the mechanism of electrocatalysis of oxygen reduction reaction by a porphyrinic metal organic framework","Chem. Commun.","2017","","","","","10.1039/C7CC02113E","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.005","2.4","","","","","","","has coordinates","196915","2020-10-21","18:00:00",""
"7122499","8.3837","0.0003","11.4748","0.0004","7.49","0.0003","90","","90","","90","","720.55","0.05","300","2","300","","","","","","","","","5","C m m m","-C 2 2","65","","","","- Cs2 Na O14 Si4 U2 -","- Cs2 Na O14 Si4 U2 -","- Cs4 Na2 O28 Si8 U4 -","2","0.125","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.011","0.011","","","0.0284","0.0284","","","","","","1.207","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7122501","8.3008","0.0002","11.3013","0.0003","7.4374","0.0002","90","","90","","90","","697.7","0.03","300","2","300","","","","","","","","","5","C m m m","-C 2 2","65","","","","- Na O14 Rb2 Si4 U2 -","- Na O14 Rb2 Si4 U2 -","- Na2 O28 Rb4 Si8 U4 -","2","0.125","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.0243","0.0243","","","0.0701","0.0701","","","","","","1.196","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7124489","7.3275","0.0001","10.5863","0.0002","7.1618","0.0001","90","","90","","90","","555.549","0.015","299","2","299","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C4 H4 Br2 Cu N4 O2 Pt -","- C4 Br2 Cu N4 O2 Pt -","- C8 Br4 Cu2 N8 O4 Pt2 -","2","0.125","","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","","0.0175","0.0173","","","0.0423","0.0424","","","","","","1.09","","","","has coordinates","227748","2020-10-21","18:00:00",""
"7124490","7.2595","0.0006","10.1348","0.001","7.249","0.0006","90","","90","","90","","533.33","0.08","296","2","296","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C4 Cl2 Cu N4 O2 Pt -","- C4 Cl2 Cu N4 O2 Pt -","- C8 Cl4 Cu2 N8 O4 Pt2 -","2","0.125","","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","","0.0381","0.0326","","","0.0734","0.0749","","","","","","1.028","","","","has coordinates","227748","2020-10-21","18:00:00",""
"7126128","20.7974","0.0009","34.3196","0.0013","24.2844","0.0009","90","","90","","90","","17333.2","1.2","100","0.1","100","0.1","","","","","","","","5","C m m m","-C 2 2","65","","","","- C108 H68 N4 O40 Zr6 -","- C108 H68 N4 O40 Zr6 -","- C216 H136 N8 O80 Zr12 -","2","0.125","","Mallick, Arijit; Liang, Hanfeng; Shekhah, Osama; Jia, Jiangtao; Mouchaham, Georges; Shkurenko, Aleksander; Belmabkhout, Youssef; Alshareef, Husam N.; Eddaoudi, Mohamed","Made-to-order porous electrodes for supercapacitors: MOFs embedded with redox-active centers as a case study.","Chemical communications (Cambridge, England)","2020","56","12","1883","1886","10.1039/c9cc08860a","","","1.54178","CuKα","","0.0621","0.0517","","","0.1716","0.1767","","","","","","1.063","","","","has coordinates,has disorder","248742","2020-10-21","18:00:00",""
"7132879","20.0212","0.0008","28.7967","0.0013","16.6677","0.0007","90","","90","","90","","9609.7","0.7","91","","91","","","","","","","","","8","C m m m","-C 2 2","65","","","","- C57 H43 Au Br Cl18 Fe N6 O -","- C48 H32 Au Br Fe N6 -","- C192 H128 Au4 Br4 Fe4 N24 -","4","0.25","","Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang","Cyanometallic charge engineering in spin crossover metal-organic frameworks.","Chemical communications (Cambridge, England)","2024","60","32","4318","4321","10.1039/d4cc00673a","","","0.71073","MoKα","","0.0588","0.0552","","","0.162","0.1641","","","","","","1.079","","","","has coordinates,has disorder","291522","2024-05-05","00:56:11",""
"7132882","19.818","0.002","29.05","0.003","16.4847","0.0018","90","","90","","90","","9490.5","1.7","120","","120","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C83 H118 Fe2 N16 O15 -","- C51 H32 Fe2 N10 O -","- C204 H128 Fe8 N40 O4 -","4","0.25","","Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang","Cyanometallic charge engineering in spin crossover metal-organic frameworks.","Chemical communications (Cambridge, England)","2024","60","32","4318","4321","10.1039/d4cc00673a","","","0.71073","MoKα","","0.1093","0.0778","","","0.2378","0.2545","","","","","","1.105","","","","has coordinates,has disorder","291522","2024-05-05","00:56:17",""
"7132883","20.623","0.002","29.23","0.003","17.01","0.002","90","","90","","90","","10253.8","1.9","298","","298","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C83 H118 Fe2 N16 O15 -","- C51 H32 Fe2 N10 O -","- C204 H128 Fe8 N40 O4 -","4","0.25","","Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang","Cyanometallic charge engineering in spin crossover metal-organic frameworks.","Chemical communications (Cambridge, England)","2024","60","32","4318","4321","10.1039/d4cc00673a","","","0.71073","MoKα","","0.14","0.1184","","","0.2564","0.2682","","","","","","1.087","","","","has coordinates,has disorder","291522","2024-05-05","00:56:17",""
"7208890","8.2553","0.0011","12.849","0.0016","3.888","0.0004","90","","90","","90","","412.41","0.09","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C6 H2 Cs2 O4 -","- C6 Cs2 O4 -","- C12 Cs4 O8 -","2","0.125","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.055","","","","0.1534","","","","","","1.102","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7209422","5.579","","13.267","","7.265","","90","","90","","90","","537.731","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Au7 Rb3 -","- Au7 Rb3 -","- Au14 Rb6 -","2","0.125","","Klement, U.; Rau, F.; Range, K.J.; Grosch, G.H.","Gold-Alkalimetallsystem, III. Hochdruck-Synthese und Kristallstruktur von Rb3 Au7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","27","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215439","9.0533","0.0015","18.467","0.003","4.6354","0.001","90","","90","","90","","775","0.2","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Br4 Cd4 Hg4 S4 -","- Br4 Cd4 Hg4 S4 -","- Br8 Cd8 Hg8 S8 -","2","0.125","","Zou, Jian-Ping; Peng, Qiang; Luo, Sheng-Lian; Tang, Xin-Hua; Zhang, Ai-Qin; Zeng, Gui-Sheng; Guo, Guo-Cong","Synthesis, crystal and band structures, and optical properties of a novel quaternary mercury and cadmium chalcogenidehalide: (Hg2Cd2S2Br)Br","CrystEngComm","2011","13","11","3862","","10.1039/c1ce05047h","","","0.71073","MoKα","","0.0624","0.0537","","","0.1566","0.1615","","","","","","1.001","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7216334","11.8081","0.0012","13.0971","0.0013","4.1423","0.0004","90","","90","","90","","640.61","0.11","120","2","120","2","","","","","","","","5","C m m m","-C 2 2","65","net-(bis(mu-iodo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 15, 120K data)","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 120K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0246","0.0201","","","0.0445","0.0462","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216335","11.837","0.002","13.138","0.003","4.155","0.0008","90","","90","","90","","646.2","0.2","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 150K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0309","0.0246","","","0.0565","0.0582","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216336","11.83","0.002","13.138","0.002","4.1569","0.0008","90","","90","","90","","646.08","0.19","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 180K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0328","0.0268","","","0.063","0.065","","","","","","1.052","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216337","11.822","0.002","13.135","0.002","4.1591","0.0008","90","","90","","90","","645.83","0.19","210","2","210","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 210K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0331","0.0254","","","0.0581","0.0609","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216338","11.83","0.002","13.15","0.002","4.1667","0.0008","90","","90","","90","","648.19","0.19","240","2","240","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 240K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0374","0.029","","","0.0643","0.0687","","","","","","1.059","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216339","11.792","0.002","13.118","0.003","4.1585","0.0009","90","","90","","90","","643.3","0.2","270","2","270","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 270K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0362","0.0281","","","0.0625","0.0658","","","","","","1.101","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216340","11.828","0.0011","13.1531","0.0011","4.1751","0.0004","90","","90","","90","","649.54","0.1","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 293K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0418","0.0287","","","0.0538","0.0559","","","","","","1.217","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7218183","12.0014","0.0007","7.104","0.0004","3.538","0.0002","90","","90","","90","","301.64","0.03","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 Co N2 -","- C4 H4 Cl2 Co N2 -","- C8 H8 Cl4 Co2 N4 -","2","0.125","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0309","0.0261","","","0.0634","0.0654","","","","","","1.14","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7221115","9.8","","13.8","","4.75","","90","","90","","90","","642.39","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Li7 Sn2 -","- Li7 Sn2 -","- Li28 Sn8 -","4","0.25","","Frank, U.; Mueller, W.; Schaefer, H.","Die Kristallstruktur der Phase Li7 Sn2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1975","30","","6","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7235797","16.052","0.005","21.172","0.005","9.625","0.005","90","0.005","90","0.005","90","0.005","3271","2","153","2","153","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C15 H12 N O4 Zn -","- C15 H12 N O4 Zn -","- C60 H48 N4 O16 Zn4 -","4","0.25","","Barman, Samir; Khutia, Anupam; Koitz, Ralph; Blacque, Olivier; Furukawa, Hiroyasu; Iannuzzi, Marcella; Yaghi, Omar M.; Janiak, Christoph; Hutter, Jürg; Berke, Heinz","Synthesis and hydrogen adsorption properties of internally polarized 2,6-azulenedicarboxylate based metal‒organic frameworks","J. Mater. Chem. A","2014","2","44","18823","","10.1039/C4TA04393F","","","0.71073","MoKα","","0.0799","0.072","","","0.2116","0.2145","","","","","","1.086","","","","has coordinates","233330","2020-10-21","18:00:00",""
"7237200","6.5926","0.0003","29.493","0.002","15.9919","0.0009","90","","90","","90","","3109.4","0.3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C40 H26 Al2 N2 O10 -","- C40 H26 Al2 N2 O10 -","- C80 H52 Al4 N4 O20 -","2","0.125","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","","1.54178","CuKα","","0.1841","0.1431","","","0.3756","0.419","","","","","","1.402","","","","has coordinates,has disorder","237481","2020-10-21","18:00:00",""
"7237246","6.68115","0.00016","21.2861","0.0004","15.903","0.0003","90","","90","","90","","2261.66","0.08","93","","93","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C32 H18 Ga2 N2 O10 -","- C32 H18 Ga2 N2 O10 -","- C64 H36 Ga4 N4 O20 -","2","0.125","","Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.","STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine","Journal of Materials Chemistry A","2019","7","10","5685","","10.1039/C8TA10610J","","","0.71073","MoKα","","0.0363","0.0316","","","0.0932","0.0958","","","","","","1.12","","","","has coordinates,has disorder","237520","2020-10-21","18:00:00",""
"7237814","7.8877","0.0005","15.1186","0.0012","4.7885","0.0004","90","","90","","90","","571.03","0.08","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C2 H2 Gd O6 -","- C2 Gd O6 -","- C8 Gd4 O24 -","4","0.25","","Li, Jin-Hua; Liu, Ai-Ju; Ma, Yu-Juan; Han, Song-De; Hu, Ji-Xiang; Wang, Guo-Ming","A large magnetocaloric effect in two hybrid Gd-complexes: the synergy of inorganic and organic ligands towards excellent cryo-magnetic coolants","Journal of Materials Chemistry C","2019","7","21","6352","","10.1039/C9TC01475F","","","0.71073","MoKα","","0.0265","0.0261","","","0.0674","0.0678","","","","","","1.099","","","","has coordinates","238630","2020-10-21","18:00:00",""
"7240962","26.5456","0.0016","44.633","0.003","26.5717","0.0016","90","","90","","90","","31482","3","150","2","150","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C108 H147 Cl2 Cu10 N11 O56 -","- C64 H24 Cl0.75 Cu10 O44 -","- C512 H192 Cl6 Cu80 O352 -","8","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.1389","0.066","","","0.1571","0.1891","","","","","","1.096","","","","has coordinates,has disorder","254637","2020-10-21","18:00:00",""
"7244712","20.934","0.004","31.398","0.006","13.458","0.003","90","","90","","90","","8846","3","100","2","100","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C40 H29.5 Cl0.5 Cu4 N2.5 O20 -","- C40 H29.5 Cl0.5 Cu4 N2.5 O20 -","- C160 H118 Cl2 Cu16 N10 O80 -","4","0.25","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0567","0.0529","","","0.1812","0.1868","","","","","","1.136","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244779","12.425","0.0003","16.2282","0.0004","9.68021","0.00019","90","","90","","90","","1951.87","0.08","298","2","298","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C39 H34 B30 Fe N6 S -","- C28 H23 B2 Fe N6 -","- C56 H46 B4 Fe2 N12 -","2","0.125","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","1.54184","CuKα","","0.0584","0.058","","","0.1721","0.1726","","","","","","1.235","","","","has coordinates,has disorder","274535","2022-04-14","22:40:49",""
"7244780","12.0275","0.0009","15.8838","0.0011","9.5912","0.0006","90","","90","","90","","1832.3","0.2","120","2","120","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C39 H34 B2 Fe N6 S -","- C28 H24 B2 Fe N6 -","- C56 H48 B4 Fe2 N12 -","2","0.125","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","1.54184","CuKα","","0.0566","0.0562","","","0.1646","0.1653","","","","","","1.135","","","","has coordinates,has disorder","274535","2022-04-14","22:40:50",""
"7704300","7.4125","0.0006","28.588","0.003","7.5142","0.0006","90","","90","","90","","1592.3","0.2","298","","298","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pd -","- C28 H20 Fe N8 Pd -","- C56 H40 Fe2 N16 Pd2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0439","0.0345","","","0.0852","0.0892","","","","","","1.014","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704301","7.1424","0.0004","28.216","0.003","7.3155","0.0007","90","","90","","90","","1474.3","0.2","89","7","89","7","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pt -","- C28 H20 Fe N8 Pt -","- C56 H40 Fe2 N16 Pt2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0302","0.0295","","","0.075","0.0752","","","","","","1.132","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704302","7.2305","0.0003","28.393","0.0014","7.3865","0.0005","90","","90","","90","","1516.42","0.14","190","","190","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pt -","- C28 H20 Fe N7 Pt -","- C56 H40 Fe2 N14 Pt2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0491","0.0451","","","0.1157","0.1176","","","","","","1.067","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7709999","21.2415","0.0009","12.3226","0.0005","4.0333","0.0002","90","","90","","90","","1055.72","0.08","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","Pb5Sn3Se10Cl2","","","- Cl2 Pb5 Se10 Sn3 -","- Cl2 Pb5 Se10 Sn3 -","- Cl4 Pb10 Se20 Sn6 -","2","0.125","","Jiang, Lin-Tao; Li, Ming-Ze; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AIn4S6Cl (A = Rb and Cs) and Pb5Sn3Q10Cl2 (Q = S and Se): quaternary chalcohalides with mixed anionic coordination exhibit photocurrent responses","Dalton Transactions","2022","","","","","10.1039/D2DT00350C","","","0.71073","MoKα","","0.0548","0.0536","","","0.1106","0.1119","","","","","","0.999","","","","has coordinates","274464","2022-04-11","23:20:26",""
"7710000","20.613","0.002","11.9109","0.001","3.8957","0.0003","90","","90","","90","","956.47","0.14","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","Pb5Sn5S10Cl2","","","- Ba0 Cl2 Pb5 S10 Sn3 -","- Cl2 Pb5 S10 Sn3 -","- Cl4 Pb10 S20 Sn6 -","2","0.125","","Jiang, Lin-Tao; Li, Ming-Ze; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AIn4S6Cl (A = Rb and Cs) and Pb5Sn3Q10Cl2 (Q = S and Se): quaternary chalcohalides with mixed anionic coordination exhibit photocurrent responses","Dalton Transactions","2022","","","","","10.1039/D2DT00350C","","","0.71073","MoKα","","0.0304","0.0279","","","0.0666","0.0678","","","","","","1.001","","","","has coordinates","274464","2022-04-11","23:20:26",""
"7711008","7.2712","0.0006","22.7869","0.0018","4.5046","0.0004","90","","90","","90","","746.36","0.11","199.99","","199.99","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Sb12 Yb10 Zn6 -","- Sb12 Yb10 Zn6 -","- Sb12 Yb10 Zn6 -","1","0.0625","","Janzen, Ryan; Baranets, Sviatoslav; Bobev, Svilen","Synthesis and structural characterization of the new Zintl phases Eu10Mn6Bi12 and Yb10Zn6Sb12","Dalton Transactions","2022","","","","","10.1039/D2DT02011D","","","0.71073","MoKα","","0.0272","0.025","","","0.0545","0.0554","","","","","","1.159","","","","has coordinates","277295","2022-08-17","22:59:10",""
"7711009","7.798","0.003","23.903","0.009","4.7623","0.0017","90","","90","","90","","887.7","0.6","200","2","200.15","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Bi12 Eu10 Mn6.47 -","- Bi12 Eu10 Mn6.472 -","- Bi12 Eu10 Mn6.472 -","1","0.0625","","Janzen, Ryan; Baranets, Sviatoslav; Bobev, Svilen","Synthesis and structural characterization of the new Zintl phases Eu10Mn6Bi12 and Yb10Zn6Sb12","Dalton Transactions","2022","","","","","10.1039/D2DT02011D","","","0.71073","MoKα","","0.0521","0.0353","","","0.0637","0.0695","","","","","","1.039","","","","has coordinates","277295","2022-08-17","22:59:10",""
"8101399","7.6865","0.0009","8.6679","0.0009","3.4742","0.0004","90","","90","","90","","231.47","0.04","300","2","300","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- B6 Ho2 Ni3 -","- B6 Ho1.902 Ni3 -","- B12 Ho3.804 Ni6 -","2","0.125","","Geupel, Sandra; Zahn, Gernot; Paufler, Peter; Graw, Gerald","Refinement of the crystal structure of diholmium trinickel hexaboride, Ho~2~Ni~3~B~6~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","477","478","10.1515/ncrs-2000-0409","","","","","","","","","","","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00",""
"8101605","11.802","0.008","12.147","0.009","11.966","0.008","90","","90","","90","","1715","2","298","2","298","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ba2.82 Ca0.18 Ge4 -","- Ba2.817 Ca0.183 Ge4 -","- Ba22.536 Ca1.464 Ge32 -","8","0.5","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of two tri(barium, calcium) tetragermanides, Ba~2.82~Ca~0.18~Ge~4~ and Ba~2.89~Ca~0.11~Ge~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","417","418","","","","","","","","0.0465","","","0.1171","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101606","11.7838","0.0002","12.1818","0.0002","12.0605","0.0001","90","","90","","90","","1731.26","0.04","298","2","298","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ba2.89 Ca0.11 Ge4 -","- Ba2.894 Ca0.106 Ge4 -","- Ba23.152 Ca0.848 Ge32 -","8","0.5","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of two tri(barium, calcium) tetragermanides, Ba~2.82~Ca~0.18~Ge~4~ and Ba~2.89~Ca~0.11~Ge~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","417","418","","","","","","","","0.0339","","","0.0714","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101607","11.773","0.008","12.126","0.008","11.95","0.008","90","","90","","90","","1706","2","298","2","298","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ba2.62 Ge4 Sr0.38 -","- Ba2.625 Ge4 Sr0.375 -","- Ba21 Ge32 Sr3 -","8","0.5","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of tri(barium, strontium) tetragermanide, Ba~2.62~Sr~0.38~Ge~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","419","420","","","","","","","","0.0266","","","0.0704","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103877","5.8475","","25.474","","2.9824","","90","","90","","90","","444.256","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Mg13.7 Ga4.6 Ge1.7 O24","","- Ga4.6 Ge1.7 Mg13.7 O24 -","- Ga4.426 Ge1.7 Mg13.874 O24 -","- Ga4.426 Ge1.7 Mg13.874 O24 -","1","0.0625","","Barbier, J.; Frampton, C.","The crystal structure of (Mg,Ga)8(Ga,Ge)2O12","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","79","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","161836","2020-10-21","18:00:00",""
"8104205","11.755","","12.189","","12.064","","90","","90","","90","","1728.55","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ba3 Ge3.69 Si0.31 -","- Ba3 Ge3.688 Si0.312 -","- Ba24 Ge29.504 Si2.496 -","8","0.5","","Zuercher, F.; Leoni, S.; Nesper, R.","Chemical, thermal and theoretical analysis of the alpha - beta phase transition of Ba3 Tt4 compounds","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","171","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9004037","7.1918","","23.166","","6.9472","","90","","90","","90","","1157.44","","","","","","","","","","","","Chivruai River valley, Kola peninsula, Russia","10","C m m m","-C 2 2","65","","","Chivruaiite","- Ba0.025 Ca0.775 H14.986 K0.05 Mn0.1 Nb0.22 O12.73 Si3 Sr0.05 Ti1.03 -","- Ba0.025 Ca0.775 H6.34 K0.05 Mn0.1 Nb0.22 O12.73 Si3 Sr0.05 Ti1.03 -","- Ba0.1 Ca3.1 H25.36 K0.2 Mn0.4 Nb0.88 O50.92 Si12 Sr0.2 Ti4.12 -","4","0.25","","Men'shikov, Y. P.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Yakovenchuk, V. N.; Ivanyuk G Yu; Mikhailova, J. A.; Armbruster, T.; Selivanova, E. A.","Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]·13-14H2O, a new mineral from hydrothermal veins of Khibiny and Lovozero alkaline massifs","American Mineralogist","2006","91","","922","928","10.2138/am.2006.2032","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9008055","8.196","","8.307","","3.968","","90","","90","","90","","270.158","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Cd Cl2 N2 -","- Cd Cl2 N2 -","- Cd2 Cl4 N4 -","2","0.125","","MacGillavry, C. H.; Bijvoet, J. M.","Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide Locality: synthetic","Zeitschrift fur Kristallographie","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9008058","8.55","","8.55","","4.13","","90","","90","","90","","301.913","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Br2 Cd N2 -","- Br2 Cd N2 -","- Br4 Cd2 N4 -","2","0.125","","MacGillavry, C. H.; Bijvoet, J. M.","Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide Locality: synthetic","Zeitschrift fur Kristallographie","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9008060","8.12","","8.12","","4.06","","90","","90","","90","","267.694","","","","","","","","","","","","Synthetic","3","C m m m","-C 2 2","65","","","","- Cl2 Hg N2 -","- Cl2 Hg N2 -","- Cl4 Hg2 N4 -","2","0.125","","MacGillavry, C. H.; Bijvoet, J. M.","Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide","Zeitschrift fur Kristallographie","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9009422","7.31","","24.588","","7.402","","90","","90","","90","","1330.42","","","","","","","","","","","","Ilimaussaq, South Greenland","9","C m m m","-C 2 2","65","","","Na-komarovite","- Ca0.895 F H6 K0.09 Na2.515 Nb2.488 O15 Si2 Ti0.512 -","- Ca0.895 F H4 K0.09 Na2.515 Nb2.488 O15 Si2 Ti0.512 -","- Ca3.58 F4 H16 K0.36 Na10.06 Nb9.952 O60 Si8 Ti2.048 -","4","0.25","","Balic-Zunic T; Petersen, O. V.; Bernhardt, H. J.; Micheelsen, H. I.","The crystal structure and mineralogical description of a Na-dominant komarovite from the Ilimaussaq alkaline complex, South Greenland","Neues Jahrbuch fur Mineralogie, Monatshefte","2002","2002","","497","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010801","7.278","","14.134","","7.118","","90","","90","","90","","732.209","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","","Labuntsovite","- H6.7 Na1.33 O9.57 Si2 Ti -","- H5.14 Na1.33 O9.57 Si2 Ti -","- H20.56 Na5.32 O38.28 Si8 Ti4 -","4","0.25","","Cadoni, M.; Ferraris, G.","Microporous titanosilicates - synthesis and structural characterization of a new orthorhombic-type labuntsovite","European Journal of Mineralogy","2007","19","","217","222","10.1127/0935-1221/2007/0019-1717","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9011875","23.241","","7.238","","6.955","","90","","90","","90","","1169.96","","","","","","","","","","","","central natrolite region, Yubileinaya pegmatoid vein, Lovozero massif","6","C m m m","-C 2 2","65","","","Zorite","- H36 Na3 Nb0.2 O24.75 Si6 Ti2.3 -","- H10.5 Na3 Nb0.2 O24.75 Si6 Ti2.3 -","- H21 Na6 Nb0.4 O49.5 Si12 Ti4.6 -","2","0.125","","Sandomirskii, P. A.; Belov, N. V.","The OD structure of zorite Locality: central natrolite region, Yubileinaya pegmatoid vein, Lovozero massif","Soviet Physics Crystallography","1979","24","","686","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9014212","7.092","","17.888","","7.113","","90","","90","","90","","902.367","","","","","","","","","","","","","6","C m m m","-C 2 2","65","","","Weeksite","- H3 K0.62 Na0.38 O10 Si2.5 U -","- H3 K0.62 Na0.38 O10 Si2.5 U -","- H12 K2.48 Na1.52 O40 Si10 U4 -","4","0.25","","Baturin, S. V.","Crystal-structure of weeksite","Doklady Akademii Nauk SSSR","1985","282","","1132","1136","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015550","7.80411","","7.82272","","7.9231","","90","","90","","90","","483.7","","","","","","","","","","","","Synthetic","4","C m m m","-C 2 2","65","Compound 3","","","- La0.741 Nb1.778 O6 Ti0.222 -","- La2.964 Nb7.112 O24 Ti0.888 -","- La2.964 Nb7.112 O24 Ti0.888 -","","","","Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.","Solving Structural Problems of Ceramic Materials","Croatica Chemica Acta","2004","77","3","435","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""