# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:48:16+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P a -3' 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
"1000039","15.263","0.003","15.263","0.003","15.263","0.003","90","","90","","90","","3555.7","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Calcium cyclo-hexaaluminate","","- Al6 Ca9 O18 -","- Al6 Ca9 O18 -","- Al48 Ca72 O144 -","8","0.333333","","Mondal, P; Jeffery, J W","The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~","Acta Crystallographica B (24,1968-38,1982)","1975","31","","689","697","10.1107/S0567740875003639","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000299","8.6472","0.0002","8.6472","0.0002","8.6472","0.0002","90","","90","","90","","646.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Potassium dioxonium hexafluoroaluminate","","- Al F6 H6 K O2 -","- Al F6 H6 K O2 -","- Al4 F24 H24 K4 O8 -","4","0.166667","","Rousseau, J J; Boulard, B; Duroy, H; Fourquet, J L","K(H~3~O)~2~AlF~6~: ESR, infrared and Raman spectroscopy studies","European Journal of Solid State Inorganic Chemistry","1990","27","","913","924","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000327","8.253","0.002","8.253","0.002","8.253","0.002","90","","90","","90","","562.1","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Bismuth tantalum diphosphate (0.5/0.5/1)","","- Bi0.5 O7 P2 Ta0.5 -","- Bi0.5 O7 P2 Ta0.5 -","- Bi2 O28 P8 Ta2 -","4","0.166667","","Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M","New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure","European Journal of Solid State Inorganic Chemistry","1991","28","","23","36","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000328","8.109","0.001","8.109","0.001","8.109","0.001","90","","90","","90","","533.2","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tantalum phosphorus oxide (0.9/1.9/7)","","- O7 P1.901 Ta0.899 -","- O7 P1.902 Ta0.899 -","- O28 P7.608 Ta3.596 -","4","0.166667","","Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M","New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure","European Journal of Solid State Inorganic Chemistry","1991","28","","23","36","","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000342","9.9259","0.0005","9.9259","0.0005","9.9259","0.0005","90","","90","","90","","977.9","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Barium niobium fluoride hydroxide (1/1/5.5/1.5)","","- Ba F5.5 H1.5 Nb O1.5 -","- Ba F5.4999 H1.7501 Nb O1.5001 -","- Ba8 F43.9992 H14.0008 Nb8 O12.0008 -","8","0.333333","","Crosnier-Lopez, M P; Duroy, H; Fourquet, J L","BaNbF~7-x~(OH)~x~: preparation and crystal structure","European Journal of Solid State Inorganic Chemistry","1993","30","","549","556","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000413","14.13","0.005","14.13","0.005","14.13","0.005","90","","90","","90","","2821.2","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoroferrate(III)","","- C3 H18 F6 Fe N9 -","- C3 H18 F6 Fe N9 -","- C24 H144 F48 Fe8 N72 -","8","0.333333","","Fourquet, J L; Plet, F; Calage, Y; DePape, R","Crystal structure and magnetic characterization of (C (N H2)3)3 Fe F6","Journal of Solid State Chemistry","1987","69","","76","80","10.1016/0022-4596(87)90012-0","","","","","","0.0409","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1001095","8.301","0.002","8.301","0.002","8.301","0.002","90","","90","","90","","572","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Dibarium chromium uranium(V) oxide","","- Ba2 Cr O6 U -","- Ba2 Cr O6 U -","- Ba8 Cr4 O24 U4 -","4","0.166667","","Grenet, J V; Michel, A","Etude cristallographique des composes Ba~2~ Fe U O~6~ et Ba~2~ Cr U O~6~","Annales de Chimie (Paris) (Vol=Year)","1971","1971","","83","88","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001133","8.25","","8.25","","8.25","","90","","90","","90","","561.5","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Barium iron uranium oxide (2/1.3/0.7/6)","","- Ba2 Fe1.333 O6 U0.667 -","- Ba2 Fe1.333 O6 U0.667 -","- Ba8 Fe5.332 O24 U2.668 -","4","0.166667","","Padel, L; Poix, P; Michel, A","Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~","Revue de Chimie Minerale","1972","9","","337","350","","","","","","","0.0428","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001134","8.328","","8.328","","8.328","","90","","90","","90","","577.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Barium magnesium iron uranium oxide (2/0.5/0.7/0.8/6)","","- Ba2 Fe0.667 Mg0.5 O6 U0.833 -","- Ba2 Fe0.667 Mg0.5 O6 U0.833 -","- Ba8 Fe2.668 Mg2 O24 U3.332 -","4","0.166667","","Padel, L; Poix, P; Michel, A","Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~","Revue de Chimie Minerale","1972","9","","337","350","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001320","12.955","0.005","12.955","0.005","12.955","0.005","90","","90","","90","","2174.3","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","CADMIUM ARSENIDE PHOSPHIDE IODIDE (4/1.5/0.5/3)","","- As1.5 Cd4 I3 P0.5 -","- As1.5 Cd4 I3 P0.5 -","- As12 Cd32 I24 P4 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001321","12.884","0.005","12.884","0.005","12.884","0.005","90","","90","","90","","2138.7","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","TETRACADMIUM ARSENIDE PHOSPHIDE TRIIODIDE","","- As Cd4 I3 P -","- As Cd4 I3 P -","- As8 Cd32 I24 P8 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001322","12.843","0.005","12.843","0.005","12.843","0.005","90","","90","","90","","2118.4","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","CADMIUM ARSENIDE PHOSPHIDE IODIDE (4/0.5/1.5/3)","","- As0.5 Cd4 I3 P1.5 -","- As0.5 Cd4 I3 P1.5 -","- As4 Cd32 I24 P12 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001323","12.521","0.002","12.521","0.002","12.521","0.002","90","","90","","90","","1963","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","TETRACADMIUM PHOSPHIDE ARSENIDE TRIBROMIDE","","- As Br3 Cd4 P -","- As Br3 Cd4 P -","- As8 Br24 Cd32 P8 -","8","0.333333","","Rebbah, A; Deschanvres, A","Structure cristalline de Cd~4~ P As Br~3~","Annales de Chimie (Paris) (Vol=Year)","1981","1981","","585","590","","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001387","7.944","0.001","7.944","0.001","7.944","0.001","90","","90","","90","","501.3","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Molybdenum(IV) diphosphate","","- Mo O7 P2 -","- Mo O7 P2 -","- Mo4 O28 P8 -","4","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Structure of molybdenum (IV) diphosphate Mo P~2~ O~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","323","327","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001415","12.999","0.003","12.999","0.003","12.999","0.003","90","","90","","90","","2196.5","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Mercury arsenide iodide (4/2/3)","","- As2 Hg4 I3 -","- As2 Hg4 I3 -","- As16 Hg32 I24 -","8","0.333333","","Labbe, P; Ledesert, M; Raveau, B; Rebbah, A","Crystal structure of Hg~4~ As~2~ I~3~","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","117","123","10.1524/zkri.1989.187.1-2.117","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001624","12.993","0.001","12.993","0.001","12.993","0.001","90","","90","","90","","2193.5","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Cadmium iodide arsenide (4/3/2)","","- As2 Cd4 I3 -","- As2 Cd4 I3 -","- As16 Cd32 I24 -","8","0.333333","","Gallay, J; Allais, G; Deschanvres, A","Structure de Cd4 As2 I3","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2274","2276","10.1107/S0567740875007388","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005005","9.829","0.001","9.829","0.001","9.829","0.001","90","","90","","90","","949.6","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Lithium niobium nitride","","- Li7 N4 Nb -","- Li7 N4 Nb -","- Li56 N32 Nb8 -","8","0.333333","","Vennos, D A; DiSalvo, F J","Structure of lithium niobium nitride","Acta Crystallographica C (39,1983-)","1992","48","","610","612","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008245","5.329","0.001","5.329","0.001","5.329","0.001","90","","90","","90","","151.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","PALLADIUM(II) FLUORIDE","","- F2 Pd -","- F2 Pd -","- F8 Pd4 -","4","0.166667","","Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F","On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~","Materials Research Bulletin","1981","16","","207","214","10.1016/0025-5408(81)90083-0","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008428","15.753","0.006","15.753","0.006","15.753","0.006","90","","90","","90","","3909.2","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Potassium cyclo-hexaphosphate","","- K6 O18 P6 -","- K6 O18 P6 -","- K48 O144 P48 -","8","0.333333","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. I. Structure of anhydrous potassium cyclo-hexaphosphate","Acta Crystallographica C (39,1983-)","1989","45","","1273","1275","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008450","15.8476","0.0002","15.8476","0.0002","15.8476","0.0002","90","","90","","90","","3980.1","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tristrontium cyclo-hexaaluminate","","- Al6 O18 Sr9 -","- Al6 O18 Sr9 -","- Al48 O144 Sr72 -","8","0.333333","","Alonso, J A; Rasines, I; Soubeyroux, J L","Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite","Inorganic Chemistry","1990","29","","4768","4771","10.1021/ic00348a035","","","","","","0.0329","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010024","10.316","0.001","10.316","","10.316","","90","","90","","90","","1097.8","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Zinc bromate hexahydrate","","- Br2 H12 O12 Zn -","- Br2 H12 O12 Zn -","- Br8 H48 O48 Zn4 -","4","0.166667","","Yue, S H; Beevers, C A","The crystal structure of zinc bromate hexahydrate Zn (Br O~3~)~2~ (H~2~ O)~6~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","426","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010051","11.986","0.004","11.986","0.004","11.986","0.004","90","","90","","90","","1722","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Silicon iodide","","- I4 Si -","- I4 Si -","- I32 Si8 -","8","0.333333","","Hassel, O; Kringstad, H","Bemerkungen ueber den Kristallbau der Tetrahalogenide leichterer Elemente.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1931","13","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010059","5.72","","5.72","","5.72","","90","","90","","90","","187.1","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Nitrogen(I) oxide","","- N2 O -","- N2 O -","- N8 O4 -","4","0.166667","","de Smedt, J.; Keesom, W. H.","The structure of solid nitrous oxide and carbon dioxide","Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen","1924","27","","839","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","209052","2020-10-21","18:00:00",""
"1010060","5.63","","5.63","","5.63","","90","","90","","90","","178.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","de Smedt, J.; Keesom, W. H.","The structure of solid nitrous oxide and carbon dioxide","Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen","1924","27","","839","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","209052","2020-10-21","18:00:00",""
"1010061","11.89","","11.89","","11.89","","90","","90","","90","","1680.9","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","GERMANIUM TETRAIODIDE","","- Ge I4 -","- Ge I4 -","- Ge8 I32 -","8","0.333333","","Jaeger, F M; Terpstra, P; Westenbrink, H G K","On the crystal structure of germanium-tetraiodide","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1925","28","","747","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010071","6.83","","6.83","","6.83","","90","","90","","90","","318.6","","","","","","","","","","","","","1","P a -3","-P 2ac 2ab 3","205","","Dioxygen - γ","","- O2 -","","","8","0.333333","","Keesom, W. H.; Taconis, K. W.","On the crystal structure of solid oxygen-γ","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1936","39","","149","149","","","","","","","","","","","","","","","","","","","","","","","201954","2020-10-21","18:00:00",""
"1010097","6.417","0.005","6.417","0.005","6.417","0.005","90","","90","","90","","264.2","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","MANGANESE(IV) SELENIDE","","- Mn Se2 -","- Mn Se2 -","- Mn4 Se8 -","4","0.166667","","Elliott, N","The Crystal Structure of Manganese Diselenide and Manganese Ditelluride","Journal of the American Chemical Society","1937","59","","1958","1962","10.1021/ja01289a049","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010154","8.18","","8.18","","8.18","","90","","90","","90","","547.3","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sodium hexafluoroantimonate","","- F6 Na Sb -","- F6 Na Sb -","- F24 Na4 Sb4 -","4","0.166667","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010464","8.2","0.01","8.2","0.01","8.2","0.01","90","","90","","90","","551.4","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Zirconium diphosphate","","- O7 P2 Zr -","- O7 P2 Zr -","- O28 P8 Zr4 -","4","0.166667","","Levi, G R; Peyronel, G","Struttura Cristallographica del Gruppo Isomorpho (Si,Ti,Zr,Sn,Hf) P~2~ O~7~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","190","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010489","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Mark, H.; Pohland, E.","Das Gitter des festen Kohlendioxyds","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1924","61","","293","298","10.1524/zkri.1924.61.1.293","","","","","","","","","","","","","","","","","","","","","has coordinates","209053","2020-10-21","18:00:00",""
"1010492","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","de Smedt, J.; Keesom, W. H.","Das Gitter des festen Kohlendioxyds","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1925","62","","312","313","10.1524/zkri.1925.62.1.312","","","","","","","","","","","","","","","","","","","","","has coordinates","209053","2020-10-21","18:00:00",""
"1010496","5.63","","5.63","","5.63","","90","","90","","90","","178.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Kruener, H","Die Kristallstruktur des festen Kohlendioxyds.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","275","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010498","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Mark, H; Pohland, E","Zur Kristallstruktur des festen Kohlendioxyds.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","113","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010501","12.23","","12.23","","12.23","","90","","90","","90","","1829.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Tin(IV) iodide","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Dickinson, R G","Die Symmetrie und der Elementarbereich von Zinntetrajodid.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","64","","400","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010502","8.61","","8.61","","8.61","","90","","90","","90","","638.3","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Uranium diphosphate","","- O7 P2 U -","- O2 P U -","- O8 P4 U4 -","4","0.166667","","Peyronel, G","Struttura del Pirofosfato di Uranio: U P~2~ O~7~.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","311","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010528","12.215","","12.215","","12.215","","90","","90","","90","","1822.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ammonium aluminium sulfate dodecahydrate","","- Al H28 N O20 S2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010529","12.171","","12.171","","12.171","","90","","90","","90","","1802.9","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Potassium chromium sulfate dodecahydrate","","- Cr H24 K O20 S2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010530","12.333","","12.333","","12.333","","90","","90","","90","","1875.9","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Caesium aluminium sulfate dodecahydrate","","- Al Cs H24 O20 S2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010531","12.207","","12.207","","12.207","","90","","90","","90","","1819","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Thallium aluminium sulfate dodecahydrate","","- Al H24 O20 S2 Tl -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010532","12.293","","12.293","","12.293","","90","","90","","90","","1857.7","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ammonium iron(III) sulfate dodecahydrate","","- Fe H28 N O20 S2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010533","12.351","","12.351","","12.351","","90","","90","","90","","1884.1","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Potassium aluminium selenate dodecahydrate","","- Al H24 K O20 Se2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010601","7.89","","7.89","","7.89","","90","","90","","90","","491.2","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Hydrogenhydrazinium chloride","","- Cl2 H6 N2 -","- Cl2 H3 N2 -","- Cl8 H12 N8 -","4","0.166667","","Wyckoff, R W G","The Crystal Structure of Hydrazine Dihydrochloride","American Journal of Science, Serie 5(1,1921-1938)","1923","5","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010610","12.23","","12.23","","12.23","","90","","90","","90","","1829.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Tin(IV) iodide","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Dickinson, R G","The crystal structure of tin tetraiodide","Journal of the American Chemical Society","1923","45","","958","962","10.1021/ja01657a014","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010626","10.96","","10.96","","10.96","","90","","90","","90","","1316.5","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Nickel nitrate hexaammonia","","- H18 N8 Ni O6 -","- H3 N8 Ni O6 -","- H12 N32 Ni4 O24 -","4","0.166667","","Wyckoff, R W G","The composition and crystal structure of nickel nitrate hexammoniate","Journal of the American Chemical Society","1922","44","","1260","1266","10.1021/ja01427a010","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011068","8.09","0.02","8.09","0.02","8.09","0.02","90","","90","","90","","529.5","","","","","","","","","","","","synthetic","4","P a -3","-P 2ac 2ab 3","205","","Dipotassium sodium hexafluoroaluminate","Elpasolite","- Al F6 K2 Na -","- Al F6 K2 Na -","- Al4 F24 K8 Na4 -","4","0.166667","","Menzer, G","Ueber die Kristallstrukturen der Kryolithgruppe","Fortschritte der Mineralogie","1932","17","","61","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011177","12.18","","12.18","","12.18","","90","","90","","90","","1806.9","","","","","","","","","","","","alum - synthetic","5","P a -3","-P 2ac 2ab 3","205","","Potassium aluminium sulfate(VI) dodecahydrate","Alum-K","- Al H24 K O20 S2 -","- Al H24 K O20 S2 -","- Al4 H96 K4 O80 S8 -","4","0.166667","","Beevers, C A; Lipson, H","Crystal structure of the alums","Nature (London)","1934","134","","327","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011209","12.157","0.002","12.157","0.002","12.157","0.002","90","","90","","90","","1796.7","","","","","","","","","","","","alum - synthetic","5","P a -3","-P 2ac 2ab 3","205","","Potassium aluminium bis(sulfate(VI) dodecahydrate","Potassiu","- Al H24 K O20 S2 -","- Al H24 K O20 S2 -","- Al4 H96 K4 O80 S8 -","4","0.166667","","Lipson, H; Beevers, C A","The crystal structure of the alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011237","6.109","0.005","6.109","","6.109","","90","","90","","90","","228","","","","","","","","","","","","synthetic","2","P a -3","-P 2ac 2ab 3","205","","Manganese perdisulfide","Hauerite","- Mn S2 -","- Mn S2 -","- Mn4 S8 -","4","0.166667","","Offner, F","A redetermination of the parameter for Hauerite, Mn S2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","182","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011348","5.982","0.004","5.982","","5.982","","90","","90","","90","","214.1","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Palladium arsenide (1/2)","","- As2 Pd -","- As2 Pd -","- As8 Pd4 -","4","0.166667","","Thomassen, L","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011352","6.943","0.002","6.943","0.002","6.943","0.002","90","","90","","90","","334.7","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Manganese(IV) telluride","","- Mn Te2 -","- Mn Te2 -","- Mn4 Te8 -","4","0.166667","","Elliott, N","The crystal structure of manganese diselenide and manganese ditelluride","Journal of the American Chemical Society","1937","59","","1958","1962","10.1021/ja01289a049","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100901","23.4873","0.0005","23.4873","0.0005","23.4873","0.0005","90","","90","","90","","12956.8","0.5","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C48 H93 Ge K N3 P3 Si6 -","- C48 H93 Ge K N3 P3 Si6 -","- C384 H744 Ge8 K8 N24 P24 Si48 -","8","0.333333","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0548","0.0402","","","0.1185","0.1358","","","","","","1.167","","","","has coordinates","210321","2020-10-21","18:00:00",""
"1505078","9.7418","0.0014","9.7418","0.0014","9.7418","0.0014","90","","90","","90","","924.5","0.2","223","2","223","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","closo-1-phospha-7-carbadodecaborane","","- C H11 B10 P -","- C0.99996 H11 B9.99996 P0.99996 -","- C3.99984 H44.0002 B39.9998 P3.99984 -","4","0.166667","","Balaz, Snjezana; Caruso, A. N.; Platt, N. P.; Dimov, D. I.; Boag, N. M.; Brand, J. I.; Losovyj, Ya B.; Dowben, P. A.","The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films.","The journal of physical chemistry. B","2007","111","25","7009","7016","10.1021/jp0703760","","","0.71073","MoKα","","0.0545","0.0445","","","0.1288","0.1369","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505734","9.5714","0.0002","9.5714","0.0002","9.5714","0.0002","90","","90","","90","","876.85","0.03","100","2","100","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C12 H12 Cr -","- C12 H12 Cr -","- C48 H48 Cr4 -","4","0.166667","","Lyssenko, Konstantin A.; Korlyukov, Alexander A.; Golovanov, Denis G.; Ketkov, Sergey Yu; Antipin, Mikhail Yu","Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function.","The journal of physical chemistry. A","2006","110","20","6545","6551","10.1021/jp057516v","","","0.71073","MoKα","","0.0498","0.0295","","","0.0564","0.0751","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507675","21.814","0.002","21.814","0.002","21.814","0.002","90","","90","","90","","10380.2","1.6","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C71.63 H53.5 Cl1.25 O4.38 -","- C71.641 H53.443 Cl1.239 O4.401 -","- C573.128 H427.544 Cl9.912 O35.208 -","8","0.333333","","Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation.","Organic letters","2012","14","10","2472","2475","10.1021/ol300743f","","","0.71069","MoKα","","0.1431","0.059","","","0.1575","0.1987","","","","","","0.894","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507796","20.123","0.002","20.123","0.002","20.123","0.002","90","","90","","90","","8148.5","1.4","258","2","258","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C24 H12 N12 O25 Zn6 -","- C24 H12 N12 O25 Zn6 -","- C96 H48 N48 O100 Zn24 -","4","0.166667","","Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.","Hydrogen Storage in New Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2012","116","24","13143","","10.1021/jp302356q","","","0.71073","MoKα","","0.1024","0.0841","","","0.255","0.2651","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509644","12.3832","","12.3832","","12.3832","","90","","90","","90","","1898.89","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ag2 (B12 Cl12)","","- Ag2 B12 Cl12 -","- Ag2 B12 Cl12 -","- Ag8 B48 Cl48 -","4","0.166667","","Schleid, T.; Tiritiris, I.","The crystal structure of solvent-free silver dodecachloro-closo-dodecaborate Ag2 (B12 Cl12) from aqueous solution","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","581","583","10.1002/zaac.200390095","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510289","6.66","","6.66","","6.66","","90","","90","","90","","295.408","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Au Sb2 -","- Au Sb2 -","- Au4 Sb8 -","4","0.166667","","Westgren, A.; Almin, A.; Nial, O.","Roentgenanalyse der Systeme Au-Sb und Ag-Sn","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1931","14","","81","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510797","9.2123","","9.2123","","9.2123","","90","","90","","90","","781.815","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sr (B2 O4)","","- B2 O4 Sr -","- B2 O4 Sr -","- B24 O48 Sr12 -","12","0.5","","Angel, R.J.; Ross, N.L.","Crystal structure of high pressure SrB2O4(IV)","Journal of Solid State Chemistry","1991","90","","27","30","10.1016/0022-4596(91)90167-G","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510884","11.21","","11.21","","11.21","","90","","90","","90","","1408.69","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ca (B2 S4)","","- B2 Ca S4 -","- B2 Ca S4 -","- B24 Ca12 S48 -","12","0.5","","Endo, T.; Takeda, T.; Sasaki, T.; Takizawa, H.","High-pressure synthesis of a new calcium thioborate, Ca B2 S4","Materials Research Bulletin","2003","38","","33","39","10.1016/S0025-5408(02)01005-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511041","13.262","","13.262","","13.262","","90","","90","","90","","2332.53","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Sr0.5 (Zr6 B Cl11.34 I2.66)","","- B Cl11.34 I2.66 Sr0.5 Zr6 -","- B Cl11.376 I2.624 Sr0.5 Zr6 -","- B4 Cl45.504 I10.496 Sr2 Zr24 -","4","0.166667","","Koeckerling, M.","New boron-centered mixed-halide zirconium cluster phases with a cubic structure: Na Zr6 Cl(12-2x) I(2+x) B(x<=6) and A(II)0.5 Zr6 (Cl, I)14 B (A(II)=Ca, Sr, Ba)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","24","30","10.1002/(SICI)1521-3749(199901)625:1<24::AID-ZAAC24>3.3.CO;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513866","20.6666","0.0003","20.6666","0.0003","20.6666","0.0003","90","","90","","90","","8826.9","0.2","120","","120","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Cr Fe I N3 P3 -","- C45 H51 Cr Fe I N3 P3 -","- C360 H408 Cr8 Fe8 I8 N24 P24 -","8","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0682","0.0368","","0.0798","0.0702","0.0798","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513867","20.6768","0.0002","20.6768","0.0002","20.6768","0.0002","90","","90","","90","","8839.95","0.15","120","","120","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Co Cr I N3 P3 -","- C45 H51 Co Cr I N3 P3 -","- C360 H408 Co8 Cr8 I8 N24 P24 -","8","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0397","0.0295","","0.0749","0.0639","0.0749","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515631","25.1026","0.0013","25.1026","0.0013","25.1026","0.0013","90","","90","","90","","15818.2","1.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C132 H180 Cl12 Co8 N72 O4 -","- C132 H180 Cl12 Co8 N72 O3.6 -","- C528 H720 Cl47.9999 Co32 N288 O14.4 -","4","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.0711","0.0493","","","0.1349","0.1495","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517731","8.083","0.0004","8.083","0.0004","8.083","0.0004","90","","90","","90","","528.1","0.05","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Niobium Phosphorus Oxide (1/2.02/7)","","- Nb O7 P2.02 -","- Nb O7 P2.02 -","- Nb4 O28 P8.08 -","4","0.166667","","Fukuoka, H.; Imoto, H.; Saito, T.","Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms","Journal of Solid State Chemistry","1995","119","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517732","8.0807","0.0004","8.0807","0.0004","8.0807","0.0004","90","","90","","90","","527.65","0.05","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Niobium Phosphorus Oxide (1/1.92/7)","","- Nb O7 P1.92 -","- Nb O7 P1.92 -","- Nb4 O28 P7.68 -","4","0.166667","","Fukuoka, H.; Imoto, H.; Saito, T.","Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms","Journal of Solid State Chemistry","1995","119","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517733","8.0705","0.0002","8.0705","0.0002","8.0705","0.0002","90","","90","","90","","525.66","0.02","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Niobium Phosphorus Oxide (1/1.81/7)","","- Nb O7 P1.81 -","- Nb O7 P1.81 -","- Nb4 O28 P7.24 -","4","0.166667","","Fukuoka, H.; Imoto, H.; Saito, T.","Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms","Journal of Solid State Chemistry","1995","119","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517734","8.0896","0.0005","8.0896","0.0005","8.0896","0.0005","90","","90","","90","","529.4","0.06","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Niobium Phosphorus Oxide (1/1.8/7)","","- Nb O7 P1.8 -","- Nb O7 P1.8 -","- Nb4 O28 P7.2 -","4","0.166667","","Fukuoka, H.; Imoto, H.; Saito, T.","Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms","Journal of Solid State Chemistry","1995","119","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518352","11.70071","0.00013","11.70071","0.00013","11.70071","0.00013","90","","90","","90","","1601.9","0.03","120.05","0.1","120.05","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0311","0.029","","","0.0697","0.0723","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518353","11.74713","0.00009","11.74713","0.00009","11.74713","0.00009","90","","90","","90","","1621.05","0.02","302.5","0.7","302.5","0.7","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0299","0.0298","","","0.0748","0.0748","","","","","","1.323","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518354","11.78842","0.00018","11.78842","0.00018","11.78842","0.00018","90","","90","","90","","1638.2","0.04","400","0.14","400","0.14","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0746","0.0739","","","0.1765","0.1774","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519925","24.5063","0.0004","24.5063","0.0004","24.5063","0.0004","90","","90","","90","","14717.5","0.4","99","2","99","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C80 H56 Co7 F18 N16 O18 Si -","- C80.04 H56.04 Co7 F18 N15.96 O18 Si -","- C320.16 H224.16 Co28 F72 N63.84 O72 Si4 -","4","0.166667","","Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J.","Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster","Chem. Sci.","2015","6","8","4784","","10.1039/C5SC01515D","","","1.54178","CuKα","","0.1276","0.099","","","0.2948","0.3245","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520587","26.2561","0.0001","26.2561","0.0001","26.2561","0.0001","90","","90","","90","","18100.5","0.12","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C31 H45.67 Al N2 O3 -","- C29 H41 Al N2 O3 -","- C696 H984 Al24 N48 O72 -","24","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0633","0.0588","","","0.1671","0.1716","","","","","","1.101","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520986","12.239","","12.239","","12.239","","90","","90","","90","","1833.32","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs3 Mg2 (P6 O17 N)","","- Cs3 Mg2 N O17 P6 -","- Cs3 Mg2 N1.0002 O16.9998 P6 -","- Cs12 Mg8 N4.0008 O67.9992 P24 -","4","0.166667","","Feldmann, W.; l'Haridon, P.; Marchand, R.","Synthesis and crystal structure determination of Cs3 Mg2 P6 O17 N : the first example of a nitrido-oxo-cyclo-hexa phosphate","Journal of Solid State Chemistry","2000","153","","185","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521355","16.0195","","16.0195","","16.0195","","90","","90","","90","","4110.99","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Sr3 ((Al0.36 Ga0.64)2 O6)","","- Al0.72 Ga1.28 O6 Sr3 -","- Al0.72 Ga1.28 O6 Sr3 -","- Al17.28 Ga30.72 O144 Sr72 -","24","1","","Kahlenberg, V.","Sr3 (Al0.36 Ga0.64)2 O6 - a new strontium aluminium gallate","Crystal Research and Technology","2000","35","","1279","1287","","","","","","","","","","","","","","","","","","","","","","has coordinates","141564","2020-10-21","18:00:00",""
"1521485","14.0163","","14.0163","","14.0163","","90","","90","","90","","2753.6","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Na2 Rb C60","","- C60 Rb -","- C60 Rb -","- C240 Rb4 -","4","0.166667","","Lappas, A.; Brown, C.M.; Prassides, K.; Kordatos, K.; Tanigaki, K.; Suard, E.","Neutron diffraction study of the polymeric structure of Na2 Rb C60","Journal of Physics: Condensed Matter","1999","11","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521523","7.9502","","7.9502","","7.9502","","90","","90","","90","","502.498","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","W (P2 O7)","","- O7 P2 W -","- O7 P2 W -","- O28 P8 W4 -","4","0.166667","","Lisnyak, V.V.; Stus', N.V.; Belyavina, N.M.; Slobodyanik, N.S.; Markiv, V.Ya.","Crystal structure of a novel cubic pyrophosphate W P2 O7","Journal of Alloys Compd.","2000","309","","83","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522060","8.753","","8.753","","8.753","","90","","90","","90","","670.611","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Hf (V2 O7)","","- Hf O7 V2 -","- Hf O7 V2 -","- Hf4 O28 V8 -","4","0.166667","","Turquat, C.; Muller, C.; Nigrelli, E.; Leroux, C.; Soubeyroux, J.L.; Nihoul, G.","Structural investigation of temperature-induced phase transitions in Hf V2 O7","The European Physical Journal Apllied Physics","2000","10","","15","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524099","11.335","","11.335","","11.335","","90","","90","","90","","1456.35","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","U0.91 Te3 O8.85","","- O8.85 Te3 U0.91 -","- O8.85 Te3 U0.91 -","- O70.8 Te24 U7.28 -","8","0.333333","","Brandstaetter, F.","Non-stoichiometric, hydrothermally synthesized cliffordite","TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)","1981","29","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","144764","2020-10-21","18:00:00",""
"1524230","28.21","","28.21","","28.21","","90","","90","","90","","22449.6","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Eu2.819 C60","","- C15 Eu2.819 -","- C15 Eu2.819 -","- C480 Eu90.208 -","32","1.33333","","Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P.","Crystal chemistry of europium fullerides","Solid State Communications","1998","106","","431","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","144920","2020-10-21","18:00:00",""
"1525681","11.98","","11.98","","11.98","","90","","90","","90","","1719.37","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Si I4","","- I4 Si -","- I4 Si -","- I32 Si8 -","8","0.333333","","Biehl, E.; Schubert, U.","Reaktionen von Siliciummonoxid mit Muenzmetallhalogeniden","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2000","131","","813","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525835","4.4046","","4.4046","","4.4046","","90","","90","","90","","85.451","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ge O2 -","- Ge O2 -","- Ge4 O8 -","4","0.166667","","Lodziana, Z.; Parlinski, K.; Hafner, J.","Ab initio studies of high-pressure transformations in Ge O2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1341061","1341067","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526098","14.885","","14.885","","14.885","","90","","90","","90","","3297.97","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Cs3 (In3 P12 O36)","","- Cs3 In3 O36 P12 -","- Cs3 In3 O36 P12 -","- Cs12 In12 O144 P48 -","4","0.166667","","Murashova, E.V.; Chudinova, N.N.","Condensed cesium indium phosphates","Neorganicheskie Materialy","2001","37","","1521","1524","","","","","","","","","","","","","","","","","","","","","","has coordinates","147206","2020-10-21","18:00:00",""
"1526102","16.095","","16.095","","16.095","","90","","90","","90","","4169.39","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sr3 (Ga2 O6)","","- Ga2 O6 Sr3 -","- Ga2 O6 Sr3 -","- Ga48 O144 Sr72 -","24","1","","Naganuma, J.; Matoba, M.","Crystal Structure and Magnetization of Perovskite-related Ga Oxides, Sr~3~(Ga~1-x~Mn~x~)~2~O~6~","Nippon Oyo Jiki Gakkaishi","2001","25","","719","722","10.3379/jmsjmag.25.719","","","","","","","","","","","","","","","","","","","","","has coordinates","176256","2020-10-21","18:00:00",""
"1526236","4.7615","","4.7615","","4.7615","","90","","90","","90","","107.952","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Mg F2","","- F2 Mg -","- F2 Mg -","- F8 Mg4 -","4","0.166667","","Haines, J.; Klug, D.D.; Leger, J.M.; Gorelli, F.; Tse, J.S.; Li, Z.Q.","X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","1341101","13411010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526496","6.5547","","6.5547","","6.5547","","90","","90","","90","","281.617","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ir Te2 -","- Ir Te2 -","- Ir4 Te8 -","4","0.166667","","Jobic, S.; Pasturel, A.; Brec, R.; Koo, H.-J.; Whangbo Myunghwan","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526517","16.1049","","16.1049","","16.1049","","90","","90","","90","","4177.09","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sr3 (Ga2 O6)","","- Ga2 O6 Sr3 -","- Ga2 O6 Sr3 -","- Ga48 O144 Sr72 -","24","1","","Kahlenberg, V.","The crystal structures of the strontium gallates Sr10 Ga6 O19 and Sr3 Ga2 O6","Journal of Solid State Chemistry","2001","160","","421","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","147715","2020-10-21","18:00:00",""
"1526521","9.14","","9.14","","9.14","","90","","90","","90","","763.552","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Zr (W0.977 Mo1.023) O8","","- Mo1.023 O8 W0.977 Zr -","- Mo1.024 O7.998 W0.976 Zr -","- Mo4.096 O31.992 W3.904 Zr4 -","4","0.166667","","Kameswari, U.; Sleight, A.W.; Evans, J.S.O.","Rapid synthesis of Zr W2 O8 and related phases, and structure refinement of Zr W Mo O8","International Journal of Inorganic Materials","2000","2","","333","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526711","9.9872","","9.9872","","9.9872","","90","","90","","90","","996.165","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(Ru (N H3)6) (Al F6)","","- Al F6 H18 N6 Ru -","- Al F6 H18 N6 Ru -","- Al4 F24 H72 N24 Ru4 -","4","0.166667","","Subramanian, M.A.; Harlow, R.H.; Rao, V.N.M.","New (Ru (N H3)6) M F6 phases: precursors to catalysts for halogenation reactions","Materials Research Bulletin","2000","35","","1587","1592","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527404","9.797","","9.797","","9.797","","90","","90","","90","","940.328","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Cu3 W O6","","- Cu3 O6 W -","- Cu3 O6 W -","- Cu24 O48 W8 -","8","0.333333","","Gebert, E.; Kihlborg, L.","The crystal structure of a new copper wolfram oxide, Cu3 W O6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1969","23","","221","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527472","8.2474","","8.2474","","8.2474","","90","","90","","90","","560.985","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Zr P2 O7","","- O7 P2 Zr -","- O7 P2 Zr -","- O28 P8 Zr4 -","4","0.166667","","Hagman, L.O.; Kierkegaard, P.","Note on the structures of M(IV) P2 O 7 ( M(IV) = Ge, Zr, and U )","Acta Chemica Scandinavica (1-27,1973-42,1988)","1969","23","","327","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527512","6.414","","6.414","","6.414","","90","","90","","90","","263.868","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ir3 Te8 -","- Ir3 Te8 -","- Ir3 Te8 -","1","0.0416667","","Hockings, E.F.; White, J.G.","The system iridium-tellurium","Journal of Physical Chemistry","1960","64","","1042","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527733","11.3","","11.3","","11.3","","90","","90","","90","","1442.9","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Co (N H3)4 (H2 O)2 Tl Cl6","","- Cl6 Co H16 N4 O2 Tl -","- Cl6 Co N4.0002 O1.9998 Tl -","- Cl24 Co4 N16.0008 O7.9992 Tl4 -","4","0.166667","","Linhard, M.; Plieth, K.; Manthey, W.","Die Kristallstruktur des Diaquo-tetrammin-cobalt(III)-hexachloro-thallats, [Co(NH~3~)~4~(H~2~O)~2~ [TlCl~6~]","Zeitschrift für Elektrochemie, Berichte der Bunsengesellschaft für physikalische Chemie","1953","57","9","862","866","10.1002/bbpc.195300182","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528829","15.78","","15.78","","15.78","","90","","90","","90","","3929.35","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Ce C82","","- C82 Ce -","- C82.0164 Ce -","- C328.066 Ce4 -","4","0.166667","","Rikiishi, Y.; Kubozono, Y.; Hosokawa, T.; Takabayashi, Y.; Fujiwara, A.; Shibata, K.; Haruyama, Y.; Iwasa, Y.; Kobayashi, S.; Mori, S.","Structural and electronic characterizations of two isomers of Ce@C82","J. Phys. Chem. B","2004","108","","7580","7585","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529273","12.0866","0.0001","12.0866","0.0001","12.0866","0.0001","90","","90","","90","","1765.68","0.03","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- F7 H12 N3 Sn -","- F7 H12 N3 Sn -","- F56 H96 N24 Sn8 -","8","0.333333","","Flerov, Igor; Molokeev, Maxim; Laptash, Natalia; Udovenko, Anatoly; Pogoreltsev, Evgeniy; Melnikova, Svetlana; Misyul, Sergey","Structural transformation between two cubic phases of (NH4)3SnF7","Journal of Fluorine Chemistry","2015","179","0","86","","10.1016/j.jfluchem.2015.06.024","","","0.71073","MoKα","","0.0542","0.0254","","","0.0699","0.0881","","","","","","1.074","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1530133","11.549","","11.549","","11.549","","90","","90","","90","","1540.4","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Pb0.66 Sb0.34)6 Sn S9","","- Pb3.96 S9 Sb2.04 Sn -","- Pb3.96 S9 Sb2.04 Sn -","- Pb15.84 S36 Sb8.16 Sn4 -","4","0.166667","","Kaplunnik, L.N.; Pobedimskaya, E.A.; Belov, N.V.","The garnet-like structure of synthetic sulfo salt (Pb0.66 Sb0.34)6 Sn S9","Doklady Akademii Nauk SSSR","1977","237","","1086","1089","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530260","14.543","","14.543","","14.543","","90","","90","","90","","3075.83","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Cs3 (V3 P12 O36)","","- Cs3 O36 P12 V3 -","- Cs3 O36 P12 V3 -","- Cs12 O144 P48 V12 -","4","0.166667","","Lavrov, A.V.; Vojtenkov, M.J.; Sadikov, G.G.; Nikolaev, V.P.","The structure of crystals of dodecacyclophosphate Cs3 V3 P12 O36","Doklady Akademii Nauk SSSR","1981","259","","103","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","155328","2020-10-21","18:00:00",""
"1530879","7.473","","7.473","","7.473","","90","","90","","90","","417.335","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Si (P2 O7)","","- O7 P2 Si -","- O7 P2 Si -","- O28 P8 Si4 -","4","0.166667","","Tillmanns, E.; Baur, W.H.; Gebert, W.","Computer Simulation of Crystal Structures applied to the Solution of the Superstructure of Cubic Silicon-diphosphate","Journal of Solid State Chemistry","1973","7","","69","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531988","12.978","","12.978","","12.978","","90","","90","","90","","2185.86","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","(Hg6 Sb4) (Sb Br6) Br","","- Br7 Hg6 Sb5 -","- Br7 Hg6 Sb5 -","- Br28 Hg24 Sb20 -","4","0.166667","","Olenev, A.V.; Shatruk, M.M.; Popovkin, B.A.; Shevel'kov, A.V.","Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br","Zhurnal Neorganicheskoi Khimii","2001","46","","1615","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","157599","2020-10-21","18:00:00",""
"1531990","12.775","","12.775","","12.775","","90","","90","","90","","2084.89","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Hg6 As1.46 Sb2.54) (Sb Br6) Br","","- As1.46 Br7 Hg6 Sb3.54 -","- As1.462 Br7 Hg6 Sb3.538 -","- As5.848 Br28 Hg24 Sb14.152 -","4","0.166667","","Olenev, A.V.; Shatruk, M.M.; Popovkin, B.A.; Shevel'kov, A.V.","Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br","Zhurnal Neorganicheskoi Khimii","2001","46","","1615","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","157601","2020-10-21","18:00:00",""
"1531992","12.704","","12.704","","12.704","","90","","90","","90","","2050.32","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Hg6 As2.206 Sb1.794) (Sb Br6) Br","","- As2.206 Br7 Hg6 Sb2.794 -","- As2.206 Br7 Hg6 Sb2.794 -","- As8.824 Br28 Hg24 Sb11.176 -","4","0.166667","","Olenev, A.V.; Shatruk, M.M.; Shevel'kov, A.V.; Popovkin, B.A.","Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br","Zhurnal Neorganicheskoi Khimii","2001","46","","1615","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","157603","2020-10-21","18:00:00",""
"1532122","12.165","","12.165","","12.165","","90","","90","","90","","1800.27","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","K (Al0.95 Cr0.05) (S O4)2 (H2 O)12","","- Al0.95 Cr0.05 H24 K O20 S2 -","- Al0.95 Cr0.05 H24 K O20 S2 -","- Al3.8 Cr0.2 H96 K4 O80 S8 -","4","0.166667","","Rozhdestvenskaya, I.V.; Frank-Kamenetskaya, O.V.; Bannova, I.I.; Shtukenberg, A.G.","Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2 * 12(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532289","8.11021","","8.11021","","8.11021","","90","","90","","90","","533.453","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ba (N O3)2","","- Ba N2 O6 -","- Ba N2 O6 -","- Ba4 N8 O24 -","4","0.166667","","Trounov, V.A.; Tserkovnaya, E.A.; Gurin, V.N.; Korsukova, M.M.; Derkachenko, L.I.; Nikanorov, S.P.","Effect of centrifugation on the crystal structure of barium nitrate","Pis'ma v Zhurnal Tekhnicheskoi Fiziki","2002","28","","89","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534161","11.93","","11.93","","11.93","","90","","90","","90","","1697.94","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(Mg (H2 O)6) (Te Br6)","","- Br6 H12 Mg O6 Te -","- Br6 Mg O6 Te -","- Br24 Mg4 O24 Te4 -","4","0.166667","","Angoso, A.; Onken, H.; Hahn, H.","Zur Struktur der Magnesiumhexaquo-hexahalogenotellurate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","328","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534162","12.57","","12.57","","12.57","","90","","90","","90","","1986.12","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(Mg (H2 O)6) (Te I6)","","- H12 I6 Mg O6 Te -","- I6 Mg O6 Te -","- I24 Mg4 O24 Te4 -","4","0.166667","","Angoso, A.; Hahn, H.; Onken, H.","Zur Struktur der Magnesiumhexaquo-hexahalogenotellurate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","328","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534281","7.71","","7.71","","7.71","","90","","90","","90","","458.314","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","K (P F6)","","- F6 K P -","- F6 K P -","- F24 K4 P4 -","4","0.166667","","Bode, H.; Clausen, H.","Die Kristallstruktur des Kalium-, Ammonium- und Caesiumhexafluorophosphats","Zeitschrift fuer Anorganische und Allgemeine Chemie","1951","265","","228","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534495","13.109","","13.109","","13.109","","90","","90","","90","","2252.73","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(N H4)6 (Bi Br6) Br (H F2)2","","- Bi Br7 F4 H26 N6 -","- Bi Br7 F4 H24 N6 -","- Bi4 Br28 F16 H96 N24 -","4","0.166667","","Gerasimenko, A. V.; Bukvetskii, B. V.; Davidovich, R. L.; Udovenko, A. A.","Crystal structure of threefold salt (NH4)3BiBr6*NH4Br* 2NH4HF2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","322","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1534753","12.2","","12.2","","12.2","","90","","90","","90","","1815.85","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cr K (S O4)2 (H2 O)12","","- Cr H24 K O20 S2 -","- Cr H24 K O20 S2 -","- Cr4 H96 K4 O80 S8 -","4","0.166667","","Bacon, G.E.; Gardner, W.E.","The structure of chromium potassium alum","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1958","246","","79","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535318","5.788","","5.788","","5.788","","90","","90","","90","","193.903","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(Pt0.4 Rh0.3 Ru0.3) As S","","- As Pt0.4 Rh0.3 Ru0.3 S -","- As Pt0.4 Rh0.3 Ru0.3 S -","- As4 Pt1.6 Rh1.2 Ru1.2 S4 -","4","0.166667","","Szymanski, J.T.","The crystal structure of platarsite, Pt (As, S)2, and a comparison with sperrylite, Pt As2","Canadian Mineralogist","1979","17","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535454","7.527","","7.527","","7.527","","90","","90","","90","","426.448","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Mn (N O3)2","","- Mn N2 O6 -","- Mn N2 O6 -","- Mn4 N8 O24 -","4","0.166667","","Tikhomirov, G.A.; Kemnitz, E.; Znamenkov, K.O.; Morozov, I.V.; Troyanov, S.I.","Anhydrous nitrates and nitrosonium nitratometallates of manganese and cobalt, M (N O3)2, N O (Mn (N O3)3), and (N O)2 (Co (N O3)4): synthesis and crystal structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535632","11.258","","11.258","","11.258","","90","","90","","90","","1426.87","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Ti Br4","","- Br4 Ti -","- Br4 Ti -","- Br32 Ti8 -","8","0.333333","","Troyanov, S.I.; Rybakov, V.B.; Ionov, V.M.","Synthesis and crystal structures of Ti Br4,Ti Br3 and Ti (Al Br4)2","Zhurnal Neorganicheskoi Khimii","1990","35","","882","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535649","14.065","","14.065","","14.065","","90","","90","","90","","2782.4","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","(C (N H2)3)3 Ga F6","","- C3 Ga -","- C3 Ga -","- C24 Ga8 -","8","0.333333","","Bukovec, P.","Untersuchungen von Fluorometallaten(III), 11. Mitt.: Synthese und Kristallstruktur von Guanidinium Hexafluoroaluminat, -gallat und -indat","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","277","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535652","5.43","","5.43","","5.43","","90","","90","","90","","160.103","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Hg (Pd F4)","","- F4 Hg Pd -","- F4 Hg Pd -","- F8 Hg2 Pd2 -","2","0.0833333","","Mueller, B.G.","Zur Struktur von Ca Pd F4, Cd Pd F4, Hg Pd F4 und HP-Pd F2","Journal of Fluorine Chemistry","1982","20","","291","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535653","14.34","","14.34","","14.34","","90","","90","","90","","2948.81","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","(C (N H2)3)3 In F6","","- C3 In -","- C3 In -","- C24 In8 -","8","0.333333","","Bukovec, P.","Untersuchungen von Fluorometallaten(III), 11. Mitt.: Synthese und Kristallstruktur von Guanidinium Hexafluoroaluminat, -gallat und -indat","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","277","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535843","6.0232","","6.0232","","6.0232","","90","","90","","90","","218.515","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Si As2","","- As2 Si -","- As2 Si -","- As8 Si4 -","4","0.166667","","Donohue, P.C.; Siemons, W.J.; Gillson, J.L.","Preparation and Properties of Pyrite - Type Si P2 and Si As2","Journal of Physics and Chemistry of Solids","1968","29","","807","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536262","25.6135","","25.6135","","25.6135","","90","","90","","90","","16803.8","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sc24 C10 I30","","- C10 I30 Sc24 -","- C10 I30 Sc24 -","- C80 I240 Sc192 -","8","0.333333","","Jongen, L.; Mudring, A.V.; Meyer, G.","The molecular solid Sc24 C10 I30: a truncated, hollow T4 supertetrahedron of iodine filled with a T3 supertetrahedron of scandium that encapsulates the adamantoid cluster Sc4 C10","Angew. Chem. Int. ed.","2006","45","","1886","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","163913","2020-10-21","18:00:00",""
"1536301","12.109","","12.109","","12.109","","90","","90","","90","","1775.52","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Hg6 As4) (In Cl6) Cl","","- As4 Cl7 Hg6 In -","- As4 Cl7 Hg6 In -","- As16 Cl28 Hg24 In4 -","4","0.166667","","Olenev, A.V.; Tyablikov, A.S.; Shatruk, M.M.; Baranov, A.I.; Shevel'kov, A.V.","Synthesis and the crystal structure of (Hg As4) (In Cl6) Cl: influence of covalent and electrostatic factors on the supramolecular structure","Izvestiya Akad. Nauk, Seriya Khimicheskaya","2002","51","","414","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536422","10.22992","","10.22992","","10.22992","","90","","90","","90","","1070.57","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ba P2 N4","","- Ba N4 P2 -","- Ba N4 P2 -","- Ba12 N48 P24 -","12","0.5","","Karau, F.W.; Schnick, W.","High-pressure synthesis, x-ray powder structure determination, and solid-state NMR investigation of Ba P2 N4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","231","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536517","25.3395","","25.3395","","25.3395","","90","","90","","90","","16270.2","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ca13 Cd76 -","- Ca13 Cd75.9018 -","- Ca104 Cd607.214 -","8","0.333333","","Pay Gomez, C.; Lidin, S.","Structure of Ca13Cd76; a novel approximant to the YbCd5.7 and Ca15Cd85 quasicrystals.","Angewandte Chemie (Edition international)","2001","40","","4037","4039","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536820","15.4036","","15.4036","","15.4036","","90","","90","","90","","3654.83","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Ce16 (Si15 O6 N32)","","- Ce16 N32 O6 Si15 -","- Ce16 N32 O6 Si15 -","- Ce64 N128 O24 Si60 -","4","0.166667","","Koellisch, K.; Schnick, W.","Ce16 Si15 O6 N32 - An oxonitridosilicate with silicon octahedrally coordinated by nitrogen","Angew. Chem. Int. ed.","1999","38","","357","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","164694","2020-10-21","18:00:00",""
"1537237","14.1477","","14.1477","","14.1477","","90","","90","","90","","2831.77","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Mn (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mn2 Mo6 N2 O31 Te -","- H20 Mn2 Mo6 N2 O31 Te -","- H80 Mn8 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Yu Miao; Zhang Chundan; Cheng Haiyan; Sun Chunyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537240","14.0513","","14.0513","","14.0513","","90","","90","","90","","2774.27","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Co (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- Co2 H22 Mo6 N2 O31 Te -","- Co2 H20 Mo6 N2 O31 Te -","- Co8 H80 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Cheng Haiyan; Zhang Chundan; Xie Linhua; Sun Chunyan; Yu Miao","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537243","13.9743","","13.9743","","13.9743","","90","","90","","90","","2728.92","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Ni (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mo6 N2 Ni2 O31 Te -","- H20 Mo6 N2 Ni2 O31 Te -","- H80 Mo24 N8 Ni8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Sun Chunyan; Zhang Chundan; Yu Miao; Cheng Haiyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537245","14.0087","","14.0087","","14.0087","","90","","90","","90","","2749.12","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Cu (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- Cu2 H22 Mo6 N2 O31 Te -","- Cu2 H20 Mo6 N2 O31 Te -","- Cu8 H80 Mo24 N8 O124 Te4 -","4","0.166667","","Gao Bo; Liu Shuxia; Cheng Haiyan; Yu Miao; Zhang Chundan; Sun Chunyan; Xie Linhua","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537248","14.0409","","14.0409","","14.0409","","90","","90","","90","","2768.12","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","(N H4)2 ((Zn (H2 O)3)2 (Te Mo6 O24)) (H2 O)","","- H22 Mo6 N2 O31 Te Zn2 -","- Mo6 N2 O31 Te Zn2 -","- Mo24 N8 O124 Te4 Zn8 -","4","0.166667","","Gao Bo; Liu Shuxia; Xie Linhua; Yu Miao; Sun Chunyan; Zhang Chundan; Cheng Haiyan","Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations","Journal of Solid State Chemistry","2006","179","","1681","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537617","5.961","","5.961","","5.961","","90","","90","","90","","211.815","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ni Se2 -","- Ni Se2 -","- Ni4 Se8 -","4","0.166667","","Adachi, K.; Takeda, M.; Sato, K.","Magnetic properties of cobalt and nickel dichalcogenide compounds with pyrite structure","Journal of the Physical Society of Japan","1969","26","","631","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538443","5.59","","5.59","","5.59","","90","","90","","90","","174.677","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Co As S","","- As Co S -","- As Co S -","- As4 Co4 S4 -","4","0.166667","","Onorato, E.","Roentgenographische Untersuchungen ueber den Kobaltglanz","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1957","91","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538551","5.739","","5.739","","5.739","","90","","90","","90","","189.02","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- D2 S -","- D2.0004 S -","- D8.0016 S4 -","4","0.166667","","Sandor, E.; Ogunade, S.O.","Structure and phase transition in solid hydrogen and deuterium sulphides","Nature (London)","1969","224","","905","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538722","5.982","","5.982","","5.982","","90","","90","","90","","214.062","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Rh Se2 -","- Rh Se2 -","- Rh4 Se8 -","4","0.166667","","Kjekshus, A.; Rakke, T.; Andresen, A.F.","Pyrite like phases in the Rh-Se System","Acta Chemica Scandinavica, Series A: (28,1974-)","1979","33","","719","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538838","5.6188","","5.6188","","5.6188","","90","","90","","90","","177.391","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Os S2 -","- Os S2 -","- Os4 S8 -","4","0.166667","","Meisel, K.","Ueber die Gitterkonstante des Os S2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1934","219","","141","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539184","6.369","","6.369","","6.369","","90","","90","","90","","258.353","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Os Te2 -","- Os Te2 -","- Os4 Te8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539188","5.694","","5.694","","5.694","","90","","90","","90","","184.609","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Pt P2","","- P2 Pt -","- P2 Pt -","- P8 Pt4 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539194","6.441","","6.441","","6.441","","90","","90","","90","","267.214","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Pt Sb2 -","- Pt Sb2 -","- Pt4 Sb8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539204","5.585","","5.585","","5.585","","90","","90","","90","","174.209","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Rh S2 -","- Rh S2 -","- Rh4 S8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539207","5.921","","5.921","","5.921","","90","","90","","90","","207.58","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Se2 -","- Ru Se2 -","- Ru4 Se8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539209","6.36","","6.36","","6.36","","90","","90","","90","","257.259","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Te2 -","- Ru Te2 -","- Ru4 Te8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","2","","349","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539433","5.273","","5.273","","5.273","","90","","90","","90","","146.613","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Cd (O2).88 (O H).24","","- Cd H0.24 O2 -","- Cd O2 -","- Cd4 O8 -","4","0.166667","","Vannerberg, N.G.","On the formation and structure of cadmium peroxides","Arkiv foer Kemi","1956","10","","455","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540048","4.85892","","4.85892","","4.85892","","90","","90","","90","","114.715","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Ru O2","","- O2 Ru -","- O2 Ru -","- O8 Ru4 -","4","0.166667","","Haines, J.; Leger, J.M.; Schmidt, M.W.; da Jornada, J.A.H.; Petitet, J.P.; Pereira, A.S.; Hull, S.","Structural characterisation of the Pa3- -type, high pressure phase of ruthenium dioxide","Journal of Physics and Chemistry of Solids","1998","59","","239","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540880","12.578","","12.578","","12.578","","90","","90","","90","","1989.92","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Nb6 Cl12 I2","","- Cl12 I2 Nb6 -","- Cl12 I2 Nb6 -","- Cl48 I8 Nb24 -","4","0.166667","","Saegebarth, M.E.; Simon, A.","Nb6 Cl12-x I2+x (x < 2) - ein neues Niobhalogenid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","587","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","172049","2020-10-21","18:00:00",""
"1540881","12.72","","12.72","","12.72","","90","","90","","90","","2058.08","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Nb6 Cl10.8 I3.2","","- Cl10.8 I3.2 Nb6 -","- Cl10.752 I3.248 Nb6 -","- Cl43.008 I12.992 Nb24 -","4","0.166667","","Saegebarth, M.E.; Simon, A.","Nb6 Cl12-x I2+x (x < 2) - ein neues Niobhalogenid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","587","","119","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","172050","2020-10-21","18:00:00",""
"1541045","22.418","","22.418","","22.418","","90","","90","","90","","11266.5","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Si (P2 O7)","","- O7 P2 Si -","- O7 P2 Si -","- O756 P216 Si108 -","108","4.5","","Tillmanns, E.; Baur, W.H.; Gebert, W.","Computer simulation of crystal structures applied to the solution of the superstructure of cubic silicondiphosphate","Journal of Solid State Chemistry","1973","7","","69","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541664","23.229","","23.229","","23.229","","90","","90","","90","","12534.1","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","(C60 F48) (C6 H3 (C H3)3)2","","- C78 H24 F48 -","- C78 H24 F48 -","- C624 H192 F384 -","8","0.333333","","Troyanov, S.I.; Troshin, P.A.; Boltalina, O.V.; Kemnitz, E.; Ioffe, I.N.; Sidorov, L.N.","Two isomers of C60 F48: an indented fullerene","Angew. Chem. Int. ed.","2001","40","","2285","2287","","","","","","","","","","","","","","","","","","","","","","has coordinates","173064","2020-10-21","18:00:00",""
"1541812","8.285","","8.285","","8.285","","90","","90","","90","","568.693","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ba8 Fe4.8 In0.532 U2.668 O24","","- Ba8 Fe4.8 In0.532 O24 U2.668 -","- Ba8 Fe4.8 In0.532 O24 U2.668 -","- Ba8 Fe4.8 In0.532 O24 U2.668 -","1","0.0416667","","Berthon, J.; Poix, P.; Grenet, J.C.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","173328","2020-10-21","18:00:00",""
"1541813","8.307","","8.307","","8.307","","90","","90","","90","","573.235","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ba8 Fe4.268 In1.064 U2.668 O24","","- Ba8 Fe4.268 In1.064 O24 U2.668 -","- Ba8 Fe4.268 In1.064 O24 U2.668 -","- Ba8 Fe4.268 In1.064 O24 U2.668 -","1","0.0416667","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","173330","2020-10-21","18:00:00",""
"1541949","8.269","","8.269","","8.269","","90","","90","","90","","565.404","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ba8 Fe5.064 In0.268 U2.668 O24","","- Ba8 Fe5.064 In0.268 O24 U2.668 -","- Ba8 Fe5.064 In0.268 O24 U2.668 -","- Ba8 Fe5.064 In0.268 O24 U2.668 -","1","0.0416667","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","173797","2020-10-21","18:00:00",""
"1541950","8.319","","8.319","","8.319","","90","","90","","90","","575.723","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ba8 Fe4 In1.332 U2.668 O24","","- Ba8 Fe4 In1.332 O24 U2.668 -","- Ba8 Fe4 In1.332 O24 U2.668 -","- Ba8 Fe4 In1.332 O24 U2.668 -","1","0.0416667","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","173799","2020-10-21","18:00:00",""
"1541987","8.25","","8.25","","8.25","","90","","90","","90","","561.516","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sn (P2 O7)","","- O7 P2 Sn -","- O7 P2 Sn -","- O28 P8 Sn4 -","4","0.166667","","Huang, C.H.; Knop, O.; Othen, D.A.; Woodhams, F.W.D.; Howie, R.A.","Pyrophosphates of tetravalent elements and a Moessbauer study of Sn P2 O7","Canadian Journal of Chemistry","1975","53","","79","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542017","5.682","","5.682","","5.682","","90","","90","","90","","183.444","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Si P2","","- P2 Si -","- P2 Si -","- P8 Si4 -","4","0.166667","","Osugi, J.; Namikawa, R.; Tanaka, Y.","Chemical reaction at high temperature and high pressure III. Reaction of silicon and phosphorus at high temperature and high pressure","Reviews of Physical Chemistry of Japan","1966","36","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542110","7.94","","7.94","","7.94","","90","","90","","90","","500.566","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tl P F6","","- F6 P Tl -","- F6 P Tl -","- F24 P4 Tl4 -","4","0.166667","","Bode, H.; Teufer, G.","Die Kristallstruktur des Thalliumhexafluorophosphates","Zeitschrift fuer Anorganische und Allgemeine Chemie","1952","268","","129","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542186","7.31","","7.31","","7.31","","90","","90","","90","","390.618","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ni (N O3)2","","- N2 Ni O6 -","- N2 Ni O6 -","- N8 Ni4 O24 -","4","0.166667","","Weigel, D.; Imelik, B.; Laffitte, P.","Etude des structures des nitrates de nickel","Bulletin de la Societe Chimique de France (Vol=Year)","1962","1962","","544","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542235","5.084","","5.084","","5.084","","90","","90","","90","","131.406","","","","","","","","","","","","","1","P a -3","-P 2ac 2ab 3","205","","","","- D2 -","- D2 -","- D4 -","2","0.0833333","","Mucker, K.F.; White, D.; Talhouk, S.; Harris, P.M.","Crystal Structure of Para-enriched Solid Deuterium Below the lambda Transition","Physical Review Letters","1966","16","","799","801","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542527","22.825","0.003","22.825","0.003","22.825","0.003","90","","90","","90","","11891","3","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C72 H45 Ir N3 -","- C72 H45 Ir N3 -","- C576 H360 Ir8 N24 -","8","0.333333","","Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang","Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis","Polym. Chem.","2016","7","12","2299","","10.1039/C5PY01955A","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","181808","2020-10-21","18:00:00",""
"1543033","22.825","0.003","22.825","0.003","22.825","0.003","90","","90","","90","","11891","3","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C69 H45 Ir N6 -","- C69 H45 Ir N6 -","- C552 H360 Ir8 N48 -","8","0.333333","","Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang","Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis","Polym. Chem.","2016","7","12","2299","","10.1039/C5PY01955A","","","0.71073","MoKα","","0.0892","0.0588","","","0.1938","0.2211","","","","","","1.132","","","","has coordinates","181520","2020-10-21","18:00:00",""
"1544738","5.6845","0.0004","5.6845","0.0004","5.6845","0.0004","90","","90","","90","","183.69","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 1 atm","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 1 atm","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188922","2020-10-21","18:00:00",""
"1544739","5.6196","0.0006","5.6196","0.0006","5.6196","0.0006","90","","90","","90","","177.47","0.03","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 32 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 32 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188923","2020-10-21","18:00:00",""
"1544740","5.5852","0.0004","5.5852","0.0004","5.5852","0.0004","90","","90","","90","","174.23","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 49 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 49 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188924","2020-10-21","18:00:00",""
"1544741","5.5745","0.0004","5.5745","0.0004","5.5745","0.0004","90","","90","","90","","173.23","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 54 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 54 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188925","2020-10-21","18:00:00",""
"1544891","5.417","0.0001","5.417","0.0001","5.417","0.0001","90","","90","","90","","158.956","0.005","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 1 atm","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 1 atm","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189419","2020-10-21","18:00:00",""
"1544892","5.3825","0.0005","5.3825","0.0005","5.3825","0.0005","90","","90","","90","","155.94","0.03","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 3.1 GPa","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 3.1 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189420","2020-10-21","18:00:00",""
"1544893","5.3702","0.0005","5.3702","0.0005","5.3702","0.0005","90","","90","","90","","154.87","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 4.2 GPa","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 4.2 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189421","2020-10-21","18:00:00",""
"1544894","5.5348","0.0004","5.5348","0.0004","5.5348","0.0004","90","","90","","90","","169.55","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 1 atm","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1 atm","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189422","2020-10-21","18:00:00",""
"1544895","5.5068","0.0003","5.5068","0.0003","5.5068","0.0003","90","","90","","90","","166.993","0.016","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 1.9 GPa","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1.9 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189423","2020-10-21","18:00:00",""
"1544896","5.4799","0.0004","5.4799","0.0004","5.4799","0.0004","90","","90","","90","","164.56","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 3.6 GPa","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 3.6 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189424","2020-10-21","18:00:00",""
"1545312","26.2758","0.0008","26.2758","0.0008","26.2758","0.0008","90","","90","","90","","18141.3","1","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.64(NiBr2)5.64","","","- C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -","- C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -","- C270.72 H135.36 Br45.12 N45.12 Ni22.56 O122.24 Zr24 -","4","0.166667","","Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R.","Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00061H","","","0.8856","synchrotron","","0.0715","0.0651","","","0.2002","0.2046","","","","","","1.151","","","","has coordinates,has disorder","192476","2020-10-21","18:00:00",""
"1548093","23.7586","0.0003","23.7586","0.0003","23.7586","0.0003","90","","90","","90","","13411","0.3","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C52.5 H116.5 N5 O6 Rb Si3 U -","- C45 H99 N5 O6 Rb Si3 U -","- C360 H792 N40 O48 Rb8 Si24 U8 -","8","0.333333","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0816","0.0699","","","0.1987","0.212","","","","","","1.061","","","","has coordinates,has disorder","203277","2020-10-21","18:00:00",""
"1548786","12.3775","0.0009","12.3775","0.0009","12.3775","0.0009","90","","90","","90","","1896.3","0.2","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Poly[bis[(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]","","- C12 H20 Cd Cu2 N8 -","- C12 H20 Cd Cu2 N8 -","- C48 H80 Cd4 Cu8 N32 -","4","0.166667","IS4021","Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka","Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]]","IUCrData","2017","2","12","x171771","","10.1107/S2414314617017710","","","0.71073","MoKα","","0.0206","0.017","","","0.0426","0.0443","","","","","","1.107","","","","has coordinates,has Fobs","205731","2020-10-21","18:00:00",""
"1556853","25.8366","0.0002","25.8366","0.0002","25.8366","0.0002","90","","90","","90","","17246.7","0.2","173","2","173","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","EJAntraL/DCM+AgClO4/MeOH->Layer","","","- C174 H186 Ag6 Cl6 N6 O30 S12 -","- C174 H186 Ag6 Cl6 N6 O30 S12 -","- C696 H744 Ag24 Cl24 N24 O120 S48 -","4","0.166667","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKa","","0.2838","0.1332","","","0.3994","0.4934","","","","","","1.017","","","","has coordinates,has disorder","248793","2020-10-21","18:00:00",""
"1557532","17.285","0.003","17.285","0.003","17.285","0.003","90","","90","","90","","5164.3","1.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 Mo O12 -","- C30 Al2 F55 Mo O12 -","- C120 Al8 F220 Mo4 O48 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0671","0.0537","","","0.1469","0.1549","","","","","","1.191","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557534","17.3168","0.0003","17.3168","0.0003","17.3168","0.0003","90","","90","","90","","5192.82","0.16","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 O12 W -","- C30 Al2 F55 O12 W -","- C120 Al8 F220 O48 W4 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0822","0.0762","","","0.1448","0.1474","","","","","","1.375","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557626","20.9953","0.0003","20.9953","0.0003","20.9953","0.0003","90","","90","","90","","9254.8","0.2","100","0.1","100","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-217","MOF-217","","- C21 H9 N3 O6 Ti -","- C21 H9 N3 O6 Ti -","- C168 H72 N24 O48 Ti8 -","8","0.333333","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1243","0.114","","","0.3654","0.3772","","","","","","1.634","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557627","21.1222","0.0004","21.1222","0.0004","21.1222","0.0004","90","","90","","90","","9423.6","0.3","249.99","0.1","249.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C3.5 H1.5 N0.5 O Ti0.17 -","- C3.5 H1.5 N0.5 O Ti0.166667 -","- C168 H72 N24 O48 Ti8 -","48","2","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1201","0.1083","","","0.3521","0.3639","","","","","","1.534","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557628","21.1205","0.0003","21.1205","0.0003","21.1205","0.0003","90","","90","","90","","9421.3","0.2","199.99","0.1","199.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C H N O Ti -","- C1.28244 H0.549618 N0.183206 O0.366412 Ti0.0610687 -","- C168 H72 N24 O48 Ti8 -","131","5.45833","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1197","0.1096","","","0.3658","0.377","","","","","","1.624","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1561522","13.0366","0.0005","13.0366","0.0005","13.0366","0.0005","90","","90","","90","","2215.61","0.15","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ge In K S4 -","- Ge In K S4 -","- Ge12 In12 K12 S48 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0528","0.0318","","","0.0563","0.063","","","","","","1.078","","","","has coordinates","263939","2021-04-07","07:20:24",""
"1561523","13.1865","0.0008","13.1865","0.0008","13.1865","0.0008","90","","90","","90","","2292.9","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ge In Rb S4 -","- Ge In Rb S4 -","- Ge12 In12 Rb12 S48 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0323","0.026","","","0.0465","0.048","","","","","","1.07","","","","has coordinates","263939","2021-04-07","07:20:36",""
"1561524","13.3832","0.0004","13.3832","0.0004","13.3832","0.0004","90","","90","","90","","2397.07","0.12","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cs Ge In S4 -","- Cs Ge In S4 -","- Cs12 Ge12 In12 S48 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0506","0.0405","","","0.0677","0.0706","","","","","","1.152","","","","has coordinates","263939","2021-04-07","07:20:49",""
"1561525","12.997","0.006","12.997","0.006","12.997","0.006","90","","90","","90","","2195.5","1.8","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ge In S4 Tl -","- Ge In S4 Tl -","- Ge12 In12 S48 Tl12 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.1098","0.0526","","","0.1003","0.1215","","","","","","0.974","","","","has coordinates","263939","2021-04-07","07:21:02",""
"1561532","13.4729","0.0005","13.4729","0.0005","13.4729","0.0005","90","","90","","90","","2445.59","0.16","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- In Rb S4 Sn -","- In Rb S4 Sn -","- In12 Rb12 S48 Sn12 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0251","0.0203","","","0.0388","0.0399","","","","","","1.12","","","","has coordinates","263939","2021-04-07","07:22:40",""
"1561533","13.6808","0.0001","13.6808","0.0001","13.6808","0.0001","90","","90","","90","","2560.56","0.03","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cs In S4 Sn -","- Cs In S4 Sn -","- Cs12 In12 S48 Sn12 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0297","0.0223","","","0.0344","0.0355","","","","","","1.117","","","","has coordinates","263939","2021-04-07","07:22:50",""
"1564890","5.41027","0.00015","5.41027","0.00015","5.41027","0.00015","90","","90","","90","","158.364","0.008","160","1","160","1","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Pyrite","","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O.","Synthetic control over polymorph formation in the d-band semiconductor system FeS2","Chemical Science","2021","","","","","10.1039/D1SC03026D","","x-ray","1.54184","CuKα","","0.0183","0.0183","","","0.0444","0.0444","","","","","","1.32","","","","has coordinates","269866","2021-10-08","22:09:44",""
"1565353","20.476","0.001","20.476","0.001","20.476","0.001","90","","90","","90","","8584.9","0.7","294","1","294","1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C18 H51 Na5 O39.5 Ti -","- C18 H51 Na5 O39.5 Ti -","- C144 H408 Na40 O316 Ti8 -","8","0.333333","","Engelberg, Nathan; Bino, Avi; Tshuva, Edit Y.","Preparation, structural characterization and cytotoxicity of hydrolytically stable Ti(IV) citrate complexes","Inorganica Chimica Acta","2020","503","","119429","","10.1016/j.ica.2020.119429","","","0.71073","MoKα","","0.0738","0.0733","","","0.1539","0.1542","","","","","","1.366","","","","has coordinates","270825","2021-11-23","09:39:39",""
"1568752","31.0591","0.0002","31.0591","0.0002","31.0591","0.0002","90","","90","","90","","29961.7","0.3","193","2","193","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","[Ag16(C18H15As)8(C15H9O2)12](OH)2","","","- C324 H228 Ag16 As8 O26 -","- C324 H228 Ag16 As8 O26 -","- C1296 H912 Ag64 As32 O104 -","4","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","0.71073","MoKα","","0.0741","0.0454","","","0.1061","0.117","","","","","","1.051","","","","has coordinates","284286","2023-06-05","04:39:09",""
"1568753","30.8121","0.0005","30.8121","0.0005","30.8121","0.0005","90","","90","","90","","29252.6","0.8","154","2","154","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","[Ag16(C18H15P)8(C15H9O2)12](OH)2","","","- C324 H228 Ag16 O26 P8 -","- C324 H228 Ag16 O25.998 P8 -","- C1296 H912 Ag64 O103.992 P32 -","4","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","0.71073","MoKα","","0.0411","0.037","","","0.0942","0.0965","","","","","","1.131","","","","has coordinates,has disorder","284286","2023-06-05","04:39:09",""
"2000204","10.324","0.0006","10.324","0.0006","10.324","0.0006","90","","90","","90","","1100.38","0.11","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- Br2 Cu H12 O12 -","- Br2 Cu H12 O12 -","- Br8 Cu4 H48 O48 -","4","0.166667","CR0311","Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.","Structure of hexaaquacopper(II) bromate","Acta Crystallographica Section C","1991","47","10","2019","2023","10.1107/S0108270191005048","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000244","10.2987","0.0006","10.2987","0.0006","10.2987","0.0006","90","","90","","90","","1092.31","0.11","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- Br2 H12 Ni O12 -","- Br2 H12 Ni O12 -","- Br8 H48 Ni4 O48 -","4","0.166667","CR0303","Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.","Structure of hexaaquanickel(II) bromate","Acta Crystallographica Section C","1991","47","9","1786","1789","10.1107/S0108270191002196","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000675","20.435","0.011","20.435","0.011","20.435","0.011","90","","90","","90","","8533","8","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","","","","","- C7 H11 Cl N Nd O12 -","- C7 H9 Cl1.16667 N Nd O16 -","- C168 H216 Cl28 N24 Nd24 O384 -","24","1","MU0259","Starynowicz, P.","Structure of tetraaqua(2,6-pyridinedicarboxylato)neodymium perchlorate","Acta Crystallographica Section C","1992","48","8","1428","1430","10.1107/S010827019200060X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","191087","2020-10-21","18:00:00",""
"2000944","9.829","0.001","9.829","0.001","9.829","0.001","90","","90","","90","","949.6","0.4","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","","","","","- Li7 N4 Nb -","- Li7 N4 Nb -","- Li56 N32 Nb8 -","8","0.333333","CR0379","Vennos, D. A.; DiSalvo, F. J.","Structure of lithium niobium nitride","Acta Crystallographica Section C","1992","48","4","610","612","10.1107/S0108270191011654","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000991","15.8556","0.0004","15.8556","0.0004","15.8556","0.0004","90","","90","","90","","3986.1","0.17","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","","","","","- Al2 O6 Sr3 -","- Al2 O6 Sr3 -","- Al48 O144 Sr72 -","24","1","ST0526","Chakoumakos, B. C.; Lager, G. A.; Fernandez-Baca, J. A.","Refinement of the structures of Sr~3~Al~2~O~6~ and the hydrogarnet Sr~3~Al~2~(O~4~D~4~)~3~ by Rietveld analysis of neutron powder diffraction data","Acta Crystallographica Section C","1992","48","3","414","419","10.1107/S0108270191010211","","neutron","1.4","Neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001527","14.073","0.001","14.073","0.001","14.073","0.001","90","","90","","90","","2787.1","0.3","293","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","","","","","- C3 H12 F6 Ga N9 -","- C3 H18 F6 Ga N9 -","- C24 H144 F48 Ga8 N72 -","8","0.333333","KA1015","Małuszyńska, H.","Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~","Acta Crystallographica Section C","1993","49","7","1335","1336","10.1107/S0108270193000368","","","1.54178","CuKα","","","0.034","","","0.045","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001612","20.647","0.003","20.647","0.003","20.647","0.003","90","","90","","90","","8802","2","293","","","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C36 H15 Au O18 P Rh3 Ru3 -","- C36 H15 Au O18 P Rh3 Ru2.5 -","- C288 H120 Au8 O144 P8 Rh24 Ru20 -","8","0.333333","AB1029","Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J.","Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II)","Acta Crystallographica Section C","1993","49","6","1142","1146","10.1107/S0108270192012575","","","0.71073","MoKα","","","0.033","","","0.033","","","","","","","","","","","has coordinates","206079","2020-10-21","18:00:00",""
"2002275","13.26","","13.26","","13.26","","90","","90","","90","","2331.5","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Nonalead octaaluminium oxide","","- Al8 O21 Pb9 -","- Al8 O21 Pb9 -","- Al32 O84 Pb36 -","4","0.166667","","Ploetz, K B; Mueller-Buschbaum, Hk","Zur Kenntnis von Pb9 Al8 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","480","","149","152","10.1002/zaac.19814800918","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002290","13.263","","13.263","","13.263","","90","","90","","90","","2333.1","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Lead strontium aluminium oxide (8.6/.4/8/21)","","- Al8 O21 Pb8.6 Sr0.4 -","- Al8 O21 Pb8.6 Sr0.4 -","- Al32 O84 Pb34.4 Sr1.6 -","4","0.166667","","Ploetz, K B; Mueller-Buschbaum, Hk","Zur Kristallchemie der Oxoplumbate(II),IV Einbau von Sr(II) in Pb9 Al8 O21","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1982","37","","108","109","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002293","13.44","","13.44","","13.44","","90","","90","","90","","2427.7","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Nonalead octagallium oxide","","- Ga8 O21 Pb9 -","- Ga8 O21 Pb9 -","- Ga32 O84 Pb36 -","4","0.166667","","Ploetz, K B; Mueller-Buschbaum, Hk","Zur Kristallchemie der Oxoplumbate(II). II. Synthese und Aufbau von Pb9 Ga8 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","484","","153","157","10.1002/zaac.19824840112","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002559","7.9078","0.0004","7.9078","0.0004","7.9078","0.0004","90","","90","","90","","494.5","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Strontium scandium aluminium oxide (2/0.5/1.5/5)","","- Al1.5 O5 Sc0.5 Sr2 -","- Al1.5 O4.9998 Sc0.5 Sr2 -","- Al6 O19.9992 Sc2 Sr8 -","4","0.166667","","Rath, M; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallstruktur von Ba2 Sc Al O5 und Sr2 Sc0.5 Al1.5 O5","Journal of Alloys Compd.","1992","189","","127","130","10.1016/0925-8388(92)90058-H","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002983","26.296","","26.296","","26.296","","90","","90","","90","","18183.1","","298","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","","","","","- O7 V2 Zr -","- O7 V2 Zr -","- O756 V216 Zr108 -","108","4.5","CR0528","Evans, J.S.O.; Hanson, J.C.; Sleight, A.W.","Room-Temperature Superstructure of ZrV~2~O~7~","Acta Crystallographica Section B","1998","54","6","705","713","10.1107/S0108768198000962","","","1.088","synchrotron","","","0.0366","","","0.0414","","","","","0.905","0.905","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003376","12.636","0.003","12.636","0.003","12.636","0.003","90","","90","","90","","2017.6","0.8","153","0.2","153","0.2","","","","","","","The title compound was prepared according to the literature method (Fischer & Boltcher, 1957) and well-formed colourless octahedral crystals were grown by slow evaporation from nitromethane at room temperature.","5","P a -3","-P 2ac 2ab 3","205","","Bis(η^6^-1,3,5-trimethylbenzene)ruthenium(II) tetrafluoroborate","","- C18 H24 B2 F8 Ru -","- C18 H24 B2 F8 Ru -","- C72 H96 B8 F32 Ru4 -","4","0.166667","MU1142","Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.","The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K","Acta Crystallographica Section C","1995","51","4","582","584","10.1107/S0108270194010206","","","0.71073","MoKα","","0.0601","0.0412","","0.182","0.1102","","","","1.171","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004351","16.216","0.003","16.216","0.003","16.216","0.003","90","","90","","90","","4264.1","1.4","170","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- C14 H37 Co P4 -","- C14 H37 Co P4 -","- C112 H296 Co8 P32 -","8","0.333333","BK1075","Stringer, G.; Taylor, N. J.; Marder, T. B.","Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~]","Acta Crystallographica Section C","1996","52","1","80","82","10.1107/S0108270195010304","","","0.71073","MoKα","","","0.0349","","","0.0331","","","","","1.41","1.41","","","","","has coordinates","281832","2023-03-13","07:41:56",""
"2006315","14.025","0.002","14.025","0.002","14.025","0.002","90","","90","","90","","2758.7","0.7","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Be4 N6 O19 -","- Be4 N6 O19 -","- Be32 N48 O152 -","8","0.333333","JZ1166","Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford","Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium","Acta Crystallographica Section C","1997","53","7","829","830","10.1107/S010827019700303X","","","1.54184","CuKα","","","0.047","","","0.025","","","","","1.076","1.076","","","","","has coordinates","207077","2020-10-21","18:00:00",""
"2007414","5.4942","0.0002","5.4942","0.0002","5.4942","0.0002","90","","90","","90","","165.85","0.02","293","","293","","","","1000000","5000","","","synthetic","2","P a -3","-P 2ac 2ab 3","205","","carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Downs, R. T.; Somayazulu, M. S.","Carbon dioxide at 1.0 GPa","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","7","897","898","10.1107/S0108270198001140","","","0.7107","MoKα","","0.078","0.041","","0.019","0.018","","","","","1.28","1.28","","","","","has coordinates","282053","2023-03-24","19:00:10",""
"2007667","7.822","0.001","7.822","0.001","7.822","0.001","90","","90","","90","","478.58","0.11","173","2","173","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Strontium Nitrate","","- N2 O6 Sr -","- N2 O6 Sr -","- N8 O24 Sr4 -","4","0.166667","QB0061","El-Bali, Brahim; Bolte, Michael","Sr(NO~3~)~2~ at 173K","Acta Crystallographica Section C","1998","54","9","IUC9800046","","10.1107/S0108270198099375","","","0.71073","MoKα","","0.0292","0.0226","","","","0.0549","","","","","","1.246","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008541","18.793","0.002","18.793","0.002","18.793","0.002","90","","90","","90","","6637.3","1.2","200","2","200","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C27 H36 Cl4 Fe2 N6 -","- C27 H36 Cl4 Fe2 N6 -","- C216 H288 Cl32 Fe16 N48 -","8","0.333333","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.088","0.063","","0.173","0.157","","","","1.094","1.165","1.165","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008723","17.862","0.001","17.862","0.001","17.862","0.001","90","","90","","90","","5698.9","0.6","295","","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","N,N',N''-Trimethyl-N,N',N''-tris(3-methylphenyl)-1,3,5- benzenetricarboxamide","","- C33 H33 N3 O3 -","- C33 H33 N3 O3 -","- C264 H264 N24 O24 -","8","0.333333","SK1189","Herbstein, Frank H.","<i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum","Acta Crystallographica Section C","1999","55","7","1196","","10.1107/S0108270198013924","","","1.5405","CuKα","","","0.067","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009711","15.448","0.003","15.448","0.003","15.448","0.003","90","","90","","90","","3686.5","1.2","296","","296","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Triphenylarsine diiodine","","- C18 H15 As I2 -","- C18 H15 As I2 -","- C144 H120 As8 I16 -","8","0.333333","HU1065","Abbas, S.; Godfrey, S.M.; McAuliffe, C.A.; Pritchard, R.G.","A cubic modification of (triphenylarsine)diiodine","Acta Crystallographica Section C","1994","50","5","717","719","10.1107/S0108270193012284","","","0.71069","MoKα","","","0.0414","","","0.0417","","","","","1.28","1.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009888","26.43","0.006","26.43","0.006","26.43","0.006","90","","90","","90","","18463","7","295","","298","","","","","","","","","8","P a -3","-P 2ac 2ab 3","","","tris(μ-chloro)-bis[1,1,1-tris(diphenylphosphinomethyl)ethane- P, P', P'']dirhodium(III) trifluoromethanesulfonate","","- C85 H78 Cl3 F9 O9 P6 Rh2 S3 -","- C85 H78 Cl3 F9 O9 P6 Rh2 S3 -","- C680 H624 Cl24 F72 O72 P48 Rh16 S24 -","8","0.333333","NA1075","Bachechi, Fiorella","A tri-μ-chloro dirhodium (III) complex [Rh~2~(μ-Cl)~3~(triphos)~2~](CF~3~SO~3~)~3~ [triphos = CH~3~C(CH~2~PPh~2~)~3~]","Acta Crystallographica Section C","1994","50","7","1069","1072","10.1107/S0108270194001095","","","0.71073","MoKα","","","0.068","","","0.0759","","","","","4.12","4.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010226","10.358","0.001","10.358","0.001","10.358","0.001","90","","90","","90","","1111.29","0.19","200","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- C H N3 O6 -","- C H N3 O6 -","- C8 H8 N24 O48 -","8","0.333333","SE1040","Schodel, H.; Dienelt, R.; Bock, H.","Trinitromethane","Acta Crystallographica Section C","1994","50","11","1790","1792","10.1107/S0108270194002131","","","0.71073","MoKα","","","0.0317","","","0.0772","","","","","1.067","1.067","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010607","15.0766","0.0009","15.0766","0.0009","15.0766","0.0009","90","","90","","90","","3427","0.4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","poly[Bis((2-aminomethyl)methylamine)(μ-hexathiocyanato) triccadmium(II) 1.0 water solvate","","- C16 H32 Cd3 N12 O S6 -","- C16.0002 H32.001 Cd3 N12 O1.0002 S6 -","- C64.0008 H128.004 Cd12 N48 O4.0008 S24 -","4","0.166667","BR1256","Mostafa, Golam; Mondal, Arunendu; Laskar, Inamur R.; Welch, A. J.; Chaudhuri, N. Ray","A three-dimensional network of cadmium","Acta Crystallographica Section C","2000","56","2","146","148","10.1107/S010827019901269X","","","0.71073","MoKα","","0.054","0.044","","","","0.129","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011079","12.296","0.002","12.296","0.002","12.296","0.002","90","","90","","90","","1859.1","0.5","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Rubidium chromium sulfate dodecahydrate","Chromium alpha-Alums","","- Cr H24 O20 Rb S2 -","- Cr H24 O20 Rb S2 -","- Cr4 H96 O80 Rb4 S8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0424","0.0321","","","","0.0803","","","","","","1.046","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011080","12.241","0.002","12.241","0.002","12.241","0.002","90","","90","","90","","1834.2","0.5","12","2","12","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Rubidium chromium sulfate dodecahydrate","Chromium alpha-Alums","","- Cr H24 O20 Rb S2 -","- Cr H24 O20 Rb S2 -","- Cr4 H96 O80 Rb4 S8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0226","0.0189","","","","0.0446","","","","","","1.094","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011081","12.585","0.001","12.585","0.001","12.585","0.001","90","","90","","90","","1993.2","0.3","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Caesium chromium bis(selenate) dodecahydrate","Chromium alpha-Alums","","- Cr Cs H24 O20 Se2 -","- Cr Cs H24 O20 Se2 -","- Cr4 Cs4 H96 O80 Se8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.023","0.0199","","","","0.0443","","","","","","1.259","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011082","12.522","0.003","12.522","0.003","12.522","0.003","90","","90","","90","","1963.5","0.8","12","2","12","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Caesium chromium bis(selenate) dodecahydrate","Chromium alpha-Alums","","- Cr Cs H24 O20 Se2 -","- Cr Cs H24 O20 Se2 -","- Cr4 Cs4 H96 O80 Se8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0203","0.0186","","","","0.0417","","","","","","1.309","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011792","23.534","0.0005","23.534","0.0005","23.534","0.0005","90","","90","","90","","13034.3","0.5","293","1","293","1","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Ti -","- O7 P2 Ti -","- O756 P216 Ti108 -","108","4.5","BR1307","Norberg, Stefan T.; Svennson, Göran; Albertsson, Jörgen","A TiP~2~O~7~ superstructure","Acta Crystallographica Section C","2001","57","3","225","227","10.1107/S0108270100018709","","","0.8522","synchrotronx-rayverticalwiggler","","0.048","0.046","","0.059","","0.059","","","2.779","","","2.872","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011815","14.4773","0.0018","14.4773","0.0018","14.4773","0.0018","90","","90","","90","","3034.3","0.7","180","2","180","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Tris(tert-butyl)phosphine selenide","","- C12 H27 P Se -","- C12 H27 P Se -","- C96 H216 P8 Se8 -","8","0.333333","JZ1439","Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred","Tris(<i>tert</i>-butyl)phosphine selenide, the missing link in tris(<i>tert</i>-butyl)phosphine chalcogenide structures ^<i>t^</i>Bu~3~P=<i>X</i> (<i>X</i> = O, S, Se, Te)","Acta Crystallographica Section C","2001","57","3","323","324","10.1107/S010827010002000X","","","0.71073","MoKα","","0.023","0.018","","","","0.046","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012064","14.232","0.012","14.232","0.012","14.232","0.012","90","","90","","90","","2883","4","180","2","180","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","tris-tert.-butyl-phosphine sulfide","","- C12 H27 P S -","- C12 H27 P S -","- C96 H216 P8 S8 -","8","0.333333","BJ1020","Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred","Tris(<i>tert</i>-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents","Acta Crystallographica Section C","2001","57","7","835","837","10.1107/S0108270101005959","","","0.71073","MoKα","","0.072","0.063","","","","0.136","","","","","","1.329","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014623","18.8566","0.0004","18.8566","0.0004","18.8566","0.0004","90","","90","","90","","6704.9","0.2","120","2","120","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","hexakis(S,S-diphenylsulfimide)iron(III) trichloride","","- C72 H66 Cl3 Fe N6 S6 -","- C72 H66 Cl3 Fe N6 S6 -","- C288 H264 Cl12 Fe4 N24 S24 -","4","0.166667","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0777","0.0462","","","0.101","0.1131","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015225","14.3475","0.0012","14.3475","0.0012","14.3475","0.0012","90","","90","","90","","2953.4","0.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]magnesium(II) chloroform disolvate","","- C20 H22 B2 Cl6 Mg N12 -","- C20 H22 B2 Cl6 Mg N12 -","- C80 H88 B8 Cl24 Mg4 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0612","0.0597","","","0.1229","0.1236","","","","","","1.222","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015226","14.6697","0.0009","14.6697","0.0009","14.6697","0.0009","90","","90","","90","","3156.9","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]calcium(II) chloroform disolvate","","- C20 H22 B2 Ca Cl6 N12 -","- C20 H22 B2 Ca Cl6 N12 -","- C80 H88 B8 Ca4 Cl24 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0521","0.0514","","","0.1082","0.1085","","","","","","1.308","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015402","9.409","0.002","9.409","0.002","9.409","0.002","90","","90","","90","","833","0.3","200","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","Hexafluoroiodium(VII) hexafluoroarsenate","","","- As F12 I -","- As F12 I -","- As4 F48 I4 -","4","0.166667","BC3005","Evgeny Goreshnik; Zoran Mazej","Hexafluoroiodium(VII) hexafluoroarsenate","Acta Crystallographica Section C","2006","62","7","i59","i60","10.1107/S0108270106017719","","","0.71069","MoKα","","0.0423","0.0213","","","0.0523","0.0629","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017322","9.11787","0.00006","9.11787","0.00006","9.11787","0.00006","90","","90","","90","","758.019","0.009","530","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","zirconium vanadium tungstate","","- O7.9 V0.2 W1.8 Zr -","- O7.9 V0.2 W1.8 Zr -","- O31.6 V0.8 W7.2 Zr4 -","4","0.166667","FA3187","Chen, Xi; Tao, Juzhou; Ma, Hui; Zhao, Xinhua","Disordered structure of ZrW~1.8~V~0.2~O~7.9~ from a combined X-ray and neutron powder diffraction study at 530 K","Acta Crystallographica Section C","2009","65","10","i74","i76","10.1107/S0108270109028856","powder diffraction","","","","","","","","","","","","","2.49","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017431","13.467","0.002","13.467","0.002","13.467","0.002","90","","90","","90","","2442.4","0.6","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Borophosphate hydroxide","Potassium pentanickel hexaborophosphate tridecahydroxide","","- B12 H26 K2 Ni10 O72 P12 -","- B12 H26 K2 Ni10 O72 P12 -","- B24 H52.0001 K4 Ni20 O144 P24 -","2","0.0833333","FN3039","Yakubovich, Olga V.; Steele, Ian M.; Massa, Werner; Dimitrova, Olga V.","12-Membered borophosphate rings in KNi~5~[P~6~B~6~O~23~(OH)~13~]","Acta Crystallographica Section C","2009","65","12","i94","i98","10.1107/S0108270109044217","","","0.71073","MoKα","","0.0492","0.0324","","","0.0574","0.0606","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018267","15.2796","0.0018","15.2796","0.0018","15.2796","0.0018","90","","90","","90","","3567.3","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","[tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II)","[1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]cobalt(II)","","- C6 H21 B6 Co N3 O13 -","- C6 H21 B6 Co N3 O13 -","- C48 H168 B48 Co8 N24 O104 -","8","0.333333","BM3109","Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao","Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue","Acta Crystallographica Section C","2011","67","11","m338","m341","10.1107/S0108270111041072","","","0.71073","MoKα","","0.0237","0.0229","","","0.0639","0.0645","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018268","15.2217","0.0018","15.2217","0.0018","15.2217","0.0018","90","","90","","90","","3526.9","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","[tris(2-aminoethoxy)trihydroxyhexaborato]nickel(II)","[1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]nickel(II)","","- C6 H21 B6 N3 Ni O13 -","- C6 H21 B6 N3 Ni O13 -","- C48 H168 B48 N24 Ni8 O104 -","8","0.333333","BM3109","Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao","Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue","Acta Crystallographica Section C","2011","67","11","m338","m341","10.1107/S0108270111041072","","","0.71073","MoKα","","0.0536","0.0438","","","0.0921","0.107","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020196","15.626","","15.626","","15.626","","90","","90","","90","","3815.43","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Na3.70 Ca1.15 Ge3 O9","","- Ca1.15 Ge3 Na3.7 O9 -","- Ca1.145 Ge3 Na3.7075 O9 -","- Ca18.32 Ge48 Na59.32 O144 -","16","0.666667","","Nishi, F.; Takeuchi, Y.","Cubic structure of sodium calcium germanate Na3.7 Ca1.15 Ge3 O9","Acta Crystallographica C (39,1983-)","1988","44","","1867","1869","","","","","","","","","","","","","","","","","","","","","","has coordinates","167447","2020-10-21","18:00:00",""
"2020626","23.1441","0.0013","23.1441","0.0013","23.1441","0.0013","90","","90","","90","","12397.1","1.2","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Tribenzyl[tris(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>S</i>'']hafnium(IV) benzene tetrasolvate","","- C66 H79 B Hf N6 S3 -","- C65.9994 H78.9994 B Hf N6 S3 -","- C527.995 H631.995 B8 Hf8 N48 S24 -","8","0.333333","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.1233","0.0584","","","0.1745","0.1979","","","","","","1.051","","","","has coordinates,has disorder","188952","2020-10-21","18:00:00",""
"2020790","14.095","0.003","14.095","0.003","14.095","0.003","90","","90","","90","","2800.2","1","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoridovanadate(III)","","- C3 H18 F6 N9 V -","- C3 H18 F6 N9 V -","- C24 H144 F48 N72 V8 -","8","0.333333","YF3116","Black, Cameron; Lightfoot, Philip","Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite","Acta Crystallographica Section C","2017","73","3","244","246","10.1107/S2053229617001711","","","0.71075","MoKα","","0.0575","0.0455","","","0.1372","0.1607","","","","","","1.319","","","","has coordinates,has Fobs","199081","2020-10-21","18:00:00",""
"2020879","22.0884","0.0006","22.0884","0.0006","22.0884","0.0006","90","","90","","90","","10776.9","0.5","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Tris[<i>N</i>-(2-hydroxyethyl)-2,2'-iminodiiethanolato]tris(2,2',2''-\ nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate)","","- C36 H75 Cl2 Fe7 N6 O26 -","- C36 H75 Cl2 Fe7 N6 O26 -","- C288 H600 Cl16 Fe56 N48 O208 -","8","0.333333","QF3003","van der Horn, Jitschaq A.; Lutz, Martin","Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018460","","","0.71073","MoKα","","0.047","0.0279","","","0.0629","0.0695","","","","","","1.022","","","","has coordinates,has Fobs","205155","2020-10-21","18:00:00",""
"2020897","7.8586","0.0002","7.8586","0.0002","7.8586","0.0002","90","","90","","90","","485.33","0.02","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Lead(II) nitrate","","- N2 O6 Pb -","- N2 O6 Pb -","- N8 O24 Pb4 -","4","0.166667","","Nowotny, H.; Heger, G.","Structure refinement of lead nitrate","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","2","133","135","10.1107/s0108270186097032","","neutron","0.8313","","","0.034","0.019","","0.037","0.015","","","","","","","","","","","has coordinates","205203","2020-10-21","18:00:00",""
"2022864","4.1205","0.0005","4.1205","0.0005","4.1205","0.0005","90","","90","","90","","69.96","0.015","293","","293","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Silicon pernitride","","- N2 Si -","- N2 Si -","- N8 Si4 -","4","0.166667","WM5694","Jurzick, Pascal L.; Krach, Georg; Brüning, Lukas; Schnick, Wolfgang; Bykov, Maxim","Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023008058","","x-ray","0.28457","synchrotron","","0.1285","0.0706","","","0.1601","0.1907","","","","","","1.072","","","","has coordinates,has Fobs","286429","2023-09-20","01:48:57",""
"2100840","6.094","0.0008","6.094","0.0008","6.094","0.0008","90","","90","","90","","226.31","0.05","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","","","","","- C2 H2 -","- C2 H2 -","- C8 H8 -","4","0.166667","CR0402","McMullan, R. K.; Kvick, Å.; Popelier, P.","Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction","Acta Crystallographica Section B","1992","48","5","726","731","10.1107/S0108768192004774","","neutron","1.0402","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100841","6.105","0.0008","6.105","0.0008","6.105","0.0008","90","","90","","90","","227.54","0.05","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","","","","","- C2 H2 -","- C2 H2 -","- C8 H8 -","4","0.166667","CR0402","McMullan, R. K.; Kvick, Å.; Popelier, P.","Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction","Acta Crystallographica Section B","1992","48","5","726","731","10.1107/S0108768192004774","","neutron","1.0402","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100842","6.102","0.0007","6.102","0.0007","6.102","0.0007","90","","90","","90","","227.2","0.05","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","","","","","- C2 D2 -","- C2 D2 -","- C8 D8 -","4","0.166667","CR0402","McMullan, R. K.; Kvick, Å.; Popelier, P.","Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction","Acta Crystallographica Section B","1992","48","5","726","731","10.1107/S0108768192004774","","neutron","1.0402","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102034","12.135","0.0005","12.135","0.0005","12.135","0.0005","90","","90","","90","","1786.98","0.13","173","2","173","2","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","aluminium potassium alum","","Alum-(K)","- Al H24 K O20 S2 -","- Al H24 K O20 S2 -","- Al4 H96 K4 O80 S8 -","4","0.166667","NA0101","Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.","Structure of the alums. I. On the sulfate group disorder in the α-alums","Acta Crystallographica Section B","2000","56","2","204","209","10.1107/S0108768199014846","","","0.7107","MoKα","","0.0229","0.0222","","","","0.0631","","","","","","0.904","","","","has coordinates,has disorder","282536","2023-04-10","16:01:26",""
"2102035","12.164","0.0005","12.164","0.0005","12.164","0.0005","90","","90","","90","","1799.82","0.13","296","2","296","2","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","aluminium potassium alum","","Alum-(K)","- Al H24 K O20 S2 -","- Al H24 K O20 S2 -","- Al4 H96 K4 O80 S8 -","4","0.166667","NA0101","Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.","Structure of the alums. I. On the sulfate group disorder in the α-alums","Acta Crystallographica Section B","2000","56","2","204","209","10.1107/S0108768199014846","","","0.7107","MoKα","","0.0278","0.0264","","","","0.0728","","","","","","0.92","","","","has coordinates,has disorder","282536","2023-04-10","16:01:26",""
"2102036","12.207","0.0005","12.207","0.0005","12.207","0.0005","90","","90","","90","","1818.98","0.13","173","2","173","2","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","Aluminium thallium alum","","Lanmuchangite","- Al H24 O20 S2 Tl -","- Al H24 O20 S2 Tl -","- Al4 H96 O80 S8 Tl4 -","4","0.166667","NA0101","Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.","Structure of the alums. I. On the sulfate group disorder in the α-alums","Acta Crystallographica Section B","2000","56","2","204","209","10.1107/S0108768199014846","","","0.7107","MoKα","","0.0249","0.0231","","","","0.06","","","","","","1.301","","","","has coordinates,has disorder","282536","2023-04-10","16:01:26",""
"2102037","12.2305","0.0005","12.2305","0.0005","12.2305","0.0005","90","","90","","90","","1829.5","0.13","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","aluminium thallium alum","","","- Al H24 O20 S2 Tl -","- Al H24 O20 S2 Tl -","- Al4 H96 O80 S8 Tl4 -","4","0.166667","NA0101","Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.","Structure of the alums. I. On the sulfate group disorder in the α-alums","Acta Crystallographica Section B","2000","56","2","204","209","10.1107/S0108768199014846","","","0.7107","MoKα","","0.0296","0.0244","","","","0.0692","","","","","","1.066","","","","has coordinates,has disorder","282535","2023-04-10","15:58:54",""
"2102038","12.2133","0.0005","12.2133","0.0005","12.2133","0.0005","90","","90","","90","","1821.79","0.13","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","chromium potassium alum","","","- Cr H24 K O20 S2 -","- Cr H24 K O20 S2 -","- Cr4 H96 K4 O80 S8 -","4","0.166667","NA0101","Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.","Structure of the alums. I. On the sulfate group disorder in the α-alums","Acta Crystallographica Section B","2000","56","2","204","209","10.1107/S0108768199014846","","","0.7107","MoKα","","0.0445","0.0443","","","","0.1327","","","","","","1.13","","","","has coordinates,has disorder","282536","2023-04-10","16:01:26",""
"2102039","12.2305","0.0005","12.2305","0.0005","12.2305","0.0005","90","","90","","90","","1829.5","0.13","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","chromium potassium alum","","","- Cr H24 K O20 S2 -","- Cr H24 K O20 S2 -","- Cr4 H96 K4 O80 S8 -","4","0.166667","NA0101","Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.","Structure of the alums. I. On the sulfate group disorder in the α-alums","Acta Crystallographica Section B","2000","56","2","204","209","10.1107/S0108768199014846","","","0.7107","MoKα","","0.0465","0.0455","","","","0.1353","","","","","","1.11","","","","has coordinates,has disorder","282536","2023-04-10","16:01:26",""
"2102040","12.2679","0.0005","12.2679","0.0005","12.2679","0.0005","90","","90","","90","","1846.34","0.13","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","gallium rubidium alum","","","- Ga H24 O20 Rb S2 -","- Ga H24 O20 Rb S2 -","- Ga4 H96 O80 Rb4 S8 -","4","0.166667","NA0101","Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.","Structure of the alums. I. On the sulfate group disorder in the α-alums","Acta Crystallographica Section B","2000","56","2","204","209","10.1107/S0108768199014846","","","0.7107","MoKα","","0.0495","0.0423","","","","0.1016","","","","","","1.101","","","","has coordinates,has disorder","282536","2023-04-10","16:01:26",""
"2102041","12.2368","0.0005","12.2368","0.0005","12.2368","0.0005","90","","90","","90","","1832.33","0.13","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","gallium thallium alum","","","- Ga H24 O20 S2 Tl -","- Ga H24 O20 S2 Tl -","- Ga4 H96 O80 S8 Tl4 -","4","0.166667","NA0101","Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.","Structure of the alums. I. On the sulfate group disorder in the α-alums","Acta Crystallographica Section B","2000","56","2","204","209","10.1107/S0108768199014846","","","0.7107","MoKα","","0.0287","0.0226","","","","0.0639","","","","","","1.058","","","","has coordinates,has disorder","282536","2023-04-10","16:01:26",""
"2104027","4.3365","0.0015","4.3365","0.0015","4.3365","0.0015","90","","90","","90","","81.55","0.05","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","germanium dioxide","","- Ge O2 -","- Ge O2 -","- Ge4 O8 -","4","0.166667","WS0004","Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki","Structural refinements of high-pressure phases in germanium dioxide","Acta Crystallographica Section B","2003","59","6","701","708","10.1107/S0108768103021761","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105369","8.173","","8.173","","8.173","","90","","90","","90","","545.939","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Ag4 Te (N O3)2","","- Ag4 N2 O6 Te -","- Ag4 N2 O6 Te -","- Ag16 N8 O24 Te4 -","4","0.166667","","Schultze-Rhonhof, E.","Die Kristallstruktur von alpha-Tetrasilbertelluriddinitrat","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2837","2840","10.1107/S0567740875009004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105408","9.008","","9.008","","9.008","","90","","90","","90","","730.946","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ca (B2 O4)","","- B2 Ca O4 -","- B2 Ca O4 -","- B24 Ca12 O48 -","12","0.5","","Marezio, M.; Dernier, P.D.; Remeika, J.P.","The crystal structure of the high pressure phase, Ca B2 O4 (IV), and polymorphism in Ca B2 O4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","965","970","10.1107/S0567740869003256","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105706","11.17701","0.00007","11.17701","0.00007","11.17701","0.00007","90","","90","","90","","1396.29","0.015","237","","293","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","Silicon bromide","Silicontetrabromide","","- Br4 Si -","- Br4 Si -","- Br32 Si8 -","8","0.333333","BK5083","Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen","SiBr4‒ prediction and determination of crystal structures","Acta Crystallographica Section B Structural Science","2009","65","3","342","349","10.1107/S0108768109012051","powder diffraction","x-ray","0.92103","synchrotron","","","","","","","","0.0056","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2106623","11.9635","0.0007","11.9635","0.0007","11.9635","0.0007","90","","90","","90","","1712.28","0.17","193","2","193","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- F5 H12 N3 O2 W -","- F7 H12 N3 W -","- F56 H96 N24 W8 -","8","0.333333","BP5078","Udovenko, Anatoly; Laptash, Natalia","Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder","Acta Crystallographica Section B","2015","71","4","478","483","10.1107/S2052520615010835","","","0.71073","MoKα","","0.0601","0.0373","","","0.0851","0.1009","","","","","","0.979","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106653","11.78316","0.00015","11.78316","0.00015","11.78316","0.00015","90","","90","","90","","1636.01","0.04","300","","300","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- F7 H12 N3 Ti -","- F7 H12 N3 Ti -","- F56 H96 N24 Ti8 -","8","0.333333","BP5070","Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.","Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","6","924","931","10.1107/s2052520614021192","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","2.191","","","","","","","has coordinates,has Fobs","218953","2020-10-21","18:00:00",""
"2107239","10.059","","10.059","","10.059","","90","","90","","90","","1017.8","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(Cr (N H3)6) (Mn F6)","","- Cr F6 H18 Mn N6 -","- Cr F6 H18 Mn N6 -","- Cr4 F24 H72 Mn4 N24 -","4","0.166667","","Wieghardt, K.; Weiss, J.","Die Kristallstrukturen von Hexamminchrom(III) Hexafluoromanganat(III) und Hexamminchrom(III) Hexafluoroferrat(III)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","529","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107240","10.079","","10.079","","10.079","","90","","90","","90","","1023.89","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(Cr (N H3)6) Fe F6","","- Cr F6 Fe H18 N6 -","- Cr F6 Fe H18 N6 -","- Cr4 F24 Fe4 H72 N24 -","4","0.166667","","Wieghardt, K.; Weiss, J.","Die Kristallstrukturen von Hexamminchrom(III) Hexafluoromanganat(III) und Hexamminchrom(III) Hexafluoroferrat(III)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","529","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108033","22.3941","0.0015","22.3941","0.0015","22.3941","0.0015","90","","90","","90","","11230.5","1.3","200","2","200","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C88 H40 Br2 F12 I12 P2 -","- C87.996 H39.996 Br2 F12 I12 P1.9998 -","- C351.984 H159.984 Br8 F48 I48 P7.9992 -","4","0.166667","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0816","0.0621","","","0.1741","0.1912","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108350","11.78316","0.00015","11.78316","0.00015","11.78316","0.00015","90","","90","","90","","1636.01","0.04","143","","300","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- F7 H12 N3 Ti -","- F7 H12 N3 Ti -","- F56 H96 N24 Ti8 -","8","0.333333","BP5070","Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.","Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","6","924","931","10.1107/s2052520614021192","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","2.191","","","","","","","has coordinates,has Fobs","218953","2020-10-21","18:00:00",""
"2108846","25.0654","0.0001","25.0654","0.0001","25.0654","0.0001","90","","90","","90","","15748","0.11","298","2","298","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Cd432.91 Mg177.41 Y90.4 -","- Cd432.911 Mg177.409 Y90.4 -","- Cd432.911 Mg177.409 Y90.4 -","1","0.0416667","","Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid","2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006715","","x-ray","0.71073","MoKα","","0.04","0.038","","","0.0897","0.0907","","","","","","1.167","","","","has coordinates,has Fobs","267782","2021-07-28","05:22:17",""
"2200315","15.244","0.002","15.244","0.002","15.244","0.002","90","","90","","90","","3542.4","0.8","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C24 H48 Cl6 Fe3 O7 -","- C24 H48 Cl6 Fe3 O7 -","- C96 H192 Cl24 Fe12 O28 -","4","0.166667","NA6073","Bolte, Michael; Lerner, Hans-Wolfram; Scholz, Stefan","[Fe(thf)~6~][Cl~3~Fe‒O‒FeCl~3~]","Acta Crystallographica Section E","2001","57","6","m216","m217","10.1107/S1600536801007115","","","0.71073","MoKα","","0.1377","0.056","","","","0.1327","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202247","11.1725","0.0006","11.1725","0.0006","11.1725","0.0006","90","","90","","90","","1394.6","0.13","150","","150","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tetramethyl lead","","- C4 H12 Pb -","- C4 H12 Pb -","- C32 H96 Pb8 -","8","0.333333","YA6144","Holger Fleischer; Simon Parsons; Colin R. Pulham","Tetramethyllead(IV) at 150K","Acta Crystallographica Section E","2003","59","1","m11","m13","10.1107/S1600536802022201","","","0.71073","MoKα","","0.048","0.033","","0.121","0.094","0.105","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203958","12.2491","0.0012","12.2491","0.0012","12.2491","0.0012","90","","90","","90","","1837.9","0.3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Cr H28 N O20 S2 -","- Cr H28.002 N O20 S2 -","- Cr4 H112.008 N4 O80 S8 -","4","0.166667","WM6019","Rempfer, Nora; Lerner, Hans-Wolfram; Bolte, Michael","The ammonium chromium(III) alum NH~4~Cr(SO~4~)~2~.12H~2~O","Acta Crystallographica, Section E","2004","60","7","i80","i81","10.1107/S1600536804011900","","","0.71073","MoKα","","0.0245","0.019","","","0.0496","0.0506","","","","","","1.037","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2205949","22.075","0.003","22.075","0.003","22.075","0.003","90","","90","","90","","10757","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","sodium tris(acetylacetonato-κ^2^O,O')manganese(II)","","- C15 H21 Mn Na O6 -","- C15 H21 Mn Na O6 -","- C360 H504 Mn24 Na24 O144 -","24","1","HB6197","Saha, Amrita; Musie, Ghezai; Powell, Douglas R.","Sodium tris(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section E","2005","61","6","m1144","m1146","10.1107/S1600536805015205","","","0.71073","MoKα","","0.0438","0.0386","","","0.1079","0.1129","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2215685","7.8731","0.0001","7.8731","0.0001","7.8731","0.0001","90","","90","","90","","488.02","0.011","291","0.3","291","0.3","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","Hydrazine Dihydrochloride","Hydrogenhydrazinium dichloride","","- Cl2 H6 N2 -","- Cl2 H6 N2 -","- Cl8 H24 N8 -","4","0.166667","WM2141","Kruszynski, Rafal; Trzesowska, Agata","Redetermination of hydrogenhydrazinium dichloride","Acta Crystallographica Section E","2007","63","10","i179","i179","10.1107/S1600536807042523","","","0.71073","MoKα","","0.0172","0.0172","","","0.0437","0.0437","","","","","","1.335","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232239","15.0626","0.0001","15.0626","0.0001","15.0626","0.0001","90","","90","","90","","3417.43","0.04","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","tricalcium oxynitride silicate","","- Ca2.894 N1.76 O4.24 Si2 -","- Ca2.894 N1.76 O4.24 Si2 -","- Ca69.456 N42.24 O101.76 Si48 -","24","1","FJ2455","Sharafat, Ali; Berastegui, Pedro; Esmaeilzadeh, Saeid; Eriksson, Lars; Grins, Jekabs","A cubic calcium oxynitrido-silicate, Ca~2.89~Si~2~N~1.76~O~4.24~","Acta Crystallographica Section E","2011","67","11","i66","","10.1107/S1600536811042607","","","0.71073","MoKα","","0.0398","0.0319","","","0.0667","0.0689","","","","","","1.22","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239407","12.625","0.004","12.625","","12.625","","90","","90","","90","","2012.3","0.6","150","2","150","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tetracadmium diarsenide tribromide","","- As2 Br3 Cd4 -","- As2 Br3 Cd4 -","- As16 Br24 Cd32 -","8","0.333333","VN2080","Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Otero-Diáz, L. Carlos","Cd~4~As~2~Br~3~","Acta Crystallographica Section E","2014","70","3","i15","","10.1107/S160053681400395X","","","0.71073","MoKα","","0.0508","0.0386","","","0.0883","0.0923","","","","","","1.09","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2242573","15.6497","0.0019","15.6497","0.0019","15.6497","0.0019","90","","90","","90","","3832.8","0.8","173","2","173.15","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","2-Bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane","","- C9 H27 Br Si4 -","- C9 H27 Br Si4 -","- C72 H216 Br8 Si32 -","8","0.333333","","Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R.","Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane","Acta Crystallographica Section E","2018","74","8","1142","1146","10.1107/S2056989018009696","","","0.71073","MoKα","","0.0405","0.0284","","","0.0683","0.0748","","","","","","1.05","","","","has coordinates,has Fobs","209237","2020-10-21","18:00:00",""
"2244159","12.2966","0.0002","12.2966","0.0002","12.2966","0.0002","90","","90","","90","","1859.32","0.05","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Poly[dimagnesium potassium hexaborate hydroxyide monohydrate]","","- B12 H3 K Mg2 O22 -","- B12 H3.0006 K Mg2 O22.0004 -","- B48 H12.0024 K4 Mg8 O88.0016 -","4","0.166667","TX2057","Qiu, Qi-Ming; Song, Jian-Biao","Crystal structure of MgK~0.5~[B~6~O~10~](OH)~0.5~·0.5H~2~O, poly[dimagnesium potassium bis(hexaborate) hydroxide monohydrate]","Acta Crystallographica Section E","2022","78","10","1003","1005","10.1107/S2056989022008982","","","0.71073","MoKα","","0.0459","0.0391","","","0.1092","0.1155","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","279113","2022-11-08","19:40:34",""
"2310113","40.5405","","40.5405","","40.5405","","90","","90","","90","","66629.6","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Al72.515 Cr4.928 Fe7.853 Pd22.498 -","- Al72.52 Cr4.93 Fe7.844 Pd22.496 -","- Al2900.8 Cr197.2 Fe313.76 Pd899.84 -","40","1.66667","DM5040","Fujita, Nobuhisa; Takano, Hikari; Yamamoto, Akiji; Tsai, An-Pang","Cluster-packing geometry for Al-based F-type icosahedral alloys","Acta Crystallographica Section A","2013","69","3","322","340","10.1107/S0108767313005035","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310368","12.352","","12.352","","12.352","","90","","90","","90","","1884.57","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Al (S O4)2 (H2 O)12","","- Al Cs H24 O20 S2 -","- Al Cs H24 O20 S2 -","- Al4 Cs4 H96 O80 S8 -","4","0.166667","","Cromer, D.T.; Kay, M.I.; Larson, A.C.","Refinement of the alum structures. I. X-ray and neutron diffraction study of Cs Al (S O4)2 * (H2 O)12, a beta Alum","Acta Crystallographica (1,1948-23,1967)","1966","21","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310370","12.243","","12.243","","12.243","","90","","90","","90","","1835.12","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(N D4) Al (S O4)2 (D2 O)12","","- Al D28 N O20 S2 -","- Al D28 N O20 S2 -","- Al4 D112 N4 O80 S8 -","4","0.166667","","Cromer, D.T.; Kay, M.I.","Refinement of the alum structures IV. Neutron diffraction study of deuterated ammonium alum, N D4 Al (S O4)2 (D2 O)12, an alpha-Alum","Acta Crystallographica (1,1948-23,1967)","1967","22","","800","805","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310817","12.26","","12.26","","12.26","","90","","90","","90","","1842.77","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Sn I4","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Meller, F.; Fankuchen, I.","The crystal structure of tin tetraiodide","Acta Crystallographica (1,1948-23,1967)","1955","8","","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310876","10.84","","10.84","","10.84","","90","","90","","90","","1273.76","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ni (C O)4","","- C4 Ni O4 -","- C4 Ni O4 -","- C32 Ni8 O32 -","8","0.333333","","Ladell, J.; Post, B.; Fankuchen, I.","The Crystal Structure of Nickel Carbonyl, Ni (C O)4","Acta Crystallographica (1,1948-23,1967)","1952","5","","795","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000231","17.7361","0.0004","17.7361","","17.7361","","90","","90","","90","","5579.23","0.13","100","","100","","","","","","","","","6","P a -3","-P 2ac 2ab 3","","","","","- C26 H35 Br3 N Ni P -","","","","","","Francois Baril-Robert Nicolas Belanger-Desmarais, Christian Reber","","To be published","","","","","","","","","1.54178","CuKα","","0.0359","0.03","","","0.0825","0.0857","","","","","","1.033","","","","","214798","2020-10-21","18:00:00","2019-09-26"
"4000095","10.9267","0.0003","10.9267","0.0003","10.9267","0.0003","90","","90","","90","","1304.57","0.06","293","0.2","293","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ga K O14 Te6 -","- Ga K O14 Te6 -","- Ga4 K4 O56 Te24 -","4","0.166667","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0175","0.0173","","0.0462","0.0461","","","","1.319","1.321","1.321","","","","","has coordinates","208250","2020-10-21","18:00:00",""
"4003029","5.4475","0.0001","5.4475","0.0001","5.4475","0.0001","90","","90","","90","","161.656","0.005","100","2","100","2","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.166667","","Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill","NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials","Chemistry of Materials","2019","31","9","3407","","10.1021/acs.chemmater.9b00565","","","0.71073","MoKα","","0.0214","0.0189","","","0.0393","0.0401","","","","","","1.223","","","","has coordinates","220448","2020-10-21","18:00:00",""
"4003218","33.9803","0.0005","33.9803","0.0005","33.9803","0.0005","90","","90","","90","","39235.7","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H42 N12 O19 Zn4 -","- C60 H42 N12 O19 Zn4 -","- C240 H168 N48 O76 Zn16 -","4","0.166667","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.2716","0.1684","","","0.3433","0.3897","","","","","","1.08","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4021982","19.732","0.002","19.732","0.002","19.732","0.002","90","","90","","90","","7683.2","1.6","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 Br3 O3 -","- C39 H45 Br3 O3 -","- C312 H360 Br24 O24 -","8","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.0999","0.0457","","","0.1096","0.1192","","","","","","0.827","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021985","19.844","0.005","19.844","0.005","19.844","0.005","90","","90","","90","","7814","3","298","2","298","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 I3 O3 -","- C39 H45 I3 O3 -","- C312 H360 I24 O24 -","8","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71069","MoKα","","0.0809","0.0519","","","0.1338","0.1528","","","","","","1.016","","","","has coordinates,has disorder","277942","2022-09-17","18:22:32",""
"4027818","13.1075","","13.1075","","13.1075","","90","","90","","90","","2251.95","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Hg7 As4) (Ag I3)2","","- Ag2 As4 Hg7 I6 -","- Ag2 As4 Hg7 I6 -","- Ag8 As16 Hg28 I24 -","4","0.166667","","Olenev, A.V.; Vorontsov, I.I.; Baranov, A.I.; Antipin, M.Yu.; Shevelkov, A.V.; Oleneva, O.S.","Synthesis, Crystal and Electronic Structure of [Hg7 As4] (Ag I3)2, a Novel Supramolecular Complex with the Off-plane (AgI3)2(2-) Guest Anion.","European Journal of Inorganic Chemistry","2003","2003","","1053","1057","10.1002/ejic.200390137","","","","","","","","","","","","","","","","","","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4031390","12.452","","12.452","","12.452","","90","","90","","90","","1930.71","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs V (S O4)2 (H2 O)12","","- Cs H24 O20 S2 V -","- Cs H24 O20 S2 V -","- Cs4 H96 O80 S8 V4 -","4","0.166667","","Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H.","Structural studies on the cesium alums Cs M(III) (S O4)2 (H2 O)12","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1981","1981","","2105","2111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031391","12.413","","12.413","","12.413","","90","","90","","90","","1912.63","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Cr (S O4)2 (H2 O)12","","- Cr Cs H24 O20 S2 -","- Cr Cs H24 O20 S2 -","- Cr4 Cs4 H96 O80 S8 -","4","0.166667","","Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H.","Structural studies on the cesium alums Cs M(III) (S O4)2 (H2 O)12","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1981","1981","","2105","2111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031392","12.449","","12.449","","12.449","","90","","90","","90","","1929.32","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Fe (S O4)2 (H2 O)12","","- Cs Fe H24 O20 S2 -","- Cs Fe H24 O20 S2 -","- Cs4 Fe4 H96 O80 S8 -","4","0.166667","","Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H.","Structural studies of the cesium alums Cs M(III) (S O4)2 (H2 O)12","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1981","1981","","2105","2111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031393","12.292","","12.292","","12.292","","90","","90","","90","","1857.24","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Co (S O4)2 (H2 O)12","","- Co Cs H24 O20 S2 -","- Co Cs H24 O20 S2 -","- Co4 Cs4 H96 O80 S8 -","4","0.166667","","Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H.","Structural studies of the cesium alums Cs M(III) (S O4)2 (H2 O)12","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1981","1981","","2105","2111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031394","12.418","","12.418","","12.418","","90","","90","","90","","1914.94","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Ga (S O4)2 (H2 O)12","","- Cs Ga H24 O20 S2 -","- Cs Ga H24 O20 S2 -","- Cs4 Ga4 H96 O80 S8 -","4","0.166667","","Beattie, J.K.; Best, S.P.; White, A.H.; Skelton, B.W.","Structural studies on the cesium alums Cs M(III) (S O4)2 (H2 O)12","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1981","1981","","2105","2111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031395","12.54","","12.54","","12.54","","90","","90","","90","","1971.94","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs In (S O4)2 (H2 O)12","","- Cs H24 In O20 S2 -","- Cs H24 In O20 S2 -","- Cs4 H96 In4 O80 S8 -","4","0.166667","","Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H.","Structural studies on the cesium alums Cs M(III) (S O4)2 (H2 O)12","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1981","1981","","2105","2111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031584","12.436","","12.436","","12.436","","90","","90","","90","","1923.28","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Mo (S O4)2 (D2 O)12","","- Cs D24 Mo O20 S2 -","- Cs D24 Mo O20 S2 -","- Cs4 D96 Mo4 O80 S8 -","4","0.166667","","Best, S.P.; Forsyth, J.P.; Tregenna-Piggott, P.L.","Influence of the stereochemistry of water co-ordination to metall(III) cations on the M-O bond length and electronic structure of the cation","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1993","1993","","2711","2715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031794","12.395","","12.395","","12.395","","90","","90","","90","","1904.32","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Ir (H2 O)6 (S O4)2 (H2 O)6","","- Cs H24 Ir O20 S2 -","- Cs H24 Ir O20 S2 -","- Cs4 H96 Ir4 O80 S8 -","4","0.166667","","Armstrong, R.S.; Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H.","Crystal Structures of the alpha Alums Cs M(S O4)2 * 12 H2 O (M = Rh or Ir)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1983","1983","","1973","1975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031808","7.025","","7.025","","7.025","","90","","90","","90","","346.688","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Mg Te2 -","- Mg Te2 -","- Mg4 Te8 -","4","0.166667","","Yanagisawa, S.; Tashiro, M.; Anzai, S.","Crystal Structure of Magnesium Ditelluride","Journal of Inorganic and Nuclear Chemistry","1969","31","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4038065","19.9143","0.0008","19.9143","0.0008","19.9143","0.0008","90","","90","","90","","7897.6","0.5","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C88 H108 B6 O12 -","- C87.999 H107.998 B6 O12 -","- C351.996 H431.99 B24 O48 -","4","0.166667","","Nagase, Mai; Kato, Kenta; Yagi, Akiko; Segawa, Yasutomo; Itami, Kenichiro","Six-fold C‒H borylation of hexa-peri-hexabenzocoronene","Beilstein Journal of Organic Chemistry","2020","16","","391","397","10.3762/bjoc.16.37","","x-ray","0.71073","MoKα","","0.1252","0.0733","","","0.2041","0.2378","","","","","","1.093","","","","has coordinates,has disorder","258194","2020-10-21","18:00:00",""
"4038951","18.9035","0.0009","18.9035","0.0009","18.9035","0.0009","90","","90","","90","","6755","0.6","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27] nonacosa-2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C60 fullerene mesitylene solvate","","- C109 H28 N12 S6 -","- C109.014 H28.0016 N12 S6 -","- C436.055 H112.006 N48 S24 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.1284","0.1142","","","0.2762","0.2868","","","","","","1.083","","","","has coordinates,has disorder","260370","2021-01-02","15:13:46",""
"4038952","19.504","0.0003","19.504","0.0003","19.504","0.0003","90","","90","","90","","7419.4","0.2","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C70 fullerene carbon disulfide solvate","","- C113 H16 N12 S12 -","- C112.976 H16 N12 S12 -","- C451.905 H64 N48 S48 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0686","0.0641","","","0.1724","0.1774","","","","","","1.208","","","","has coordinates,has disorder","260371","2021-01-02","15:14:12",""
"4061560","17.555","0.002","17.555","0.002","17.555","0.002","90","","90","","90","","5410.1","1.1","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C26 H45 P3 Ru -","- C25.9 H27 P3 Ru -","- C207.2 H216 P24 Ru8 -","8","0.333333","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062043","19.067","0.002","19.067","0.002","19.067","0.002","90","","90","","90","","6931.7","1.3","183","2","183","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C7 H17 Li O P2 -","- C7 H17 Li O P2 -","- C168 H408 Li24 O24 P48 -","24","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178500","2020-10-21","18:00:00",""
"4062477","15.2629","0.0007","15.2629","0.0007","15.2629","0.0008","90","","90","","90","","3555.6","0.3","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C21 H15 F3 Ge -","- C21 H15 F3 Ge -","- C168 H120 F24 Ge8 -","8","0.333333","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.","Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.","Organometallics","2003","22","26","5534","5542","10.1021/om034146t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062478","15.1654","0.0007","15.1654","0.0007","15.1654","0.0007","90","","90","","90","","3487.9","0.3","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C21 H15 F3 Si -","- C21 H15 F3 Si -","- C168 H120 F24 Si8 -","8","0.333333","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.","Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.","Organometallics","2003","22","26","5534","5542","10.1021/om034146t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063340","28.6787","0.0003","28.6787","0.0003","28.6787","0.0003","90","","90","","90","","23587.3","0.4","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C258 H330 N18 O6 Sr6 -","- C258 H330 N18 O6 Sr6 -","- C1032 H1320 N72 O24 Sr24 -","4","0.166667","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Kḧon","Dearomatization and C‒H Deprotonation with Heavier Group 2 Alkyls: Does Size Matter?","Organometallics","2010","29","19","4203","4206","10.1021/om100649z","","","0.71073","MoKα","","0.0892","0.0472","","","0.0827","0.0962","","","","","","1.043","","","","has coordinates,has disorder","178528","2020-10-21","18:00:00",""
"4063341","28.7452","0.0003","28.7452","0.0003","28.7452","0.0003","90","","90","","90","","23751.8","0.4","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C43 H55 Ba N3 O -","- C43 H55 Ba N3 O -","- C1032 H1320 Ba24 N72 O24 -","24","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Kḧon","Dearomatization and C–H Deprotonation with Heavier Group 2 Alkyls: Does Size Matter?","Organometallics","2010","29","19","4203","4206","10.1021/om100649z","","","0.71073","MoKα","","0.1115","0.0692","","","0.1701","0.1947","","","","","","1.085","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4068182","21.7483","0.0006","21.7483","0.0006","21.7483","0.0006","90","","90","","90","","10286.7","0.5","200","2","200","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C51 H66 Cr2 N3 P4 -","- C51 H66 Cr2 N3 P4 -","- C408 H528 Cr16 N24 P32 -","8","0.333333","","Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Murugesu, Muralee; Budzelaar, Peter","Isolation and Characterization of a Class II Mixed-Valence Chromium(I)/(II) Self-Activating Ethylene Trimerization Catalyst","Organometallics","2012","31","1","486","","10.1021/om201181n","","","0.71073","MoKα","","0.069","0.0426","","","0.1121","0.1408","","","","","","1.035","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4075081","19.7087","0.0005","19.7087","0.0005","19.7087","0.0005","90","","90","","90","","7655.5","0.3","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C40 H51 Br3 Ge O3 -","- C37 H48 Br3 Ge O3 -","- C296 H384 Br24 Ge8 O24 -","8","0.333333","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0397","0.0392","","","0.0979","0.0983","","","","","","1.173","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075082","19.9244","0.0005","19.9244","0.0005","19.9244","0.0005","90","","90","","90","","7909.6","0.3","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C37 H48 Ge I3 O3 -","- C37 H48 Ge I3 O3 -","- C296 H384 Ge8 I24 O24 -","8","0.333333","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0592","0.0536","","","0.1592","0.1634","","","","","","1.073","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4080465","25.029","0.003","25.029","0.003","25.029","0.003","90","","90","","90","","15679","3","173","","173","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C28 H22 N6 Ni O2 -","- C28 H22 N6 Ni O2 -","- C672 H528 N144 Ni24 O48 -","24","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0554","0.0382","","","0.0963","0.1047","","","","","","1.086","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080468","25.205","0.003","25.205","0.003","25.205","0.003","90","","90","","90","","16013","3","173.2","0.1","173","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C29 H26 N6 O3 Pd -","- C29 H26 N6 O3 Pd -","- C696 H624 N144 O72 Pd24 -","24","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0343","0.0256","","","0.0593","0.0627","","","","","","1.086","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4089392","21.0954","0.0003","21.0954","0.0003","21.0954","0.0003","90","","90","","90","","9387.8","0.2","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Al4 O6 -","- C48 H60 Al4 O6 -","- C384 H480 Al32 O48 -","8","0.333333","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.1277","0.0667","","","0.1587","0.192","","","","","","1.029","","","","has coordinates,has disorder","243627","2020-10-21","18:00:00",""
"4100374","26.0092","0.0003","26.0092","0.0003","26.0092","0.0003","90","","90","","90","","17594.7","0.4","298","2","298","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C84 H84 Cl5 F6 O3 P7 Ru3 -","- C84 H84 Cl5 F6 O3 P7 Ru3 -","- C672 H672 Cl40 F48 O24 P56 Ru24 -","8","0.333333","","Chen, Yiyun; .; Ho, Douglas M.; .; Lee, Chulbom; .","Ruthenium-Catalyzed Hydrative Cyclization of 1,5-Enynes","Journal of the American Chemical Society","2005","","","","","10.1021/ja053462r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4101360","22.412","0.002","22.412","0.002","22.412","0.002","90","","90","","90","","11257.5","1.7","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Mg2.52 Sc11.18 Zn73.61 -","- Mg2.535 Sc11.17 Zn73.612 -","- Mg20.28 Sc89.36 Zn588.896 -","8","0.333333","","Lin, Qisheng; Corbett, John D","The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks.","Journal of the American Chemical Society","2006","128","40","13268","13273","10.1021/ja063897u","","","0.71073","MoKα","","0.1326","0.0663","","","0.1201","0.144","","","","","","1.016","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4107383","39.288","0.002","39.288","0.002","39.288","0.002","90","","90","","90","","60643","5","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C32.55 H13 Co1.5 N2 O23.3 -","- C32.55 H13 Co1.5 N2 O23.2933 -","- C781.2 H312 Co36 N48 O559.04 -","24","1","","Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko","Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron","Journal of the American Chemical Society","2008","130","","1560","1561","10.1021/ja078060t","","","0.71073","MoKα","","0.1627","0.1296","","","0.2902","0.3058","","","","","","1.18","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107626","20.9742","0.0007","20.9742","0.0007","20.9742","0.0007","90","","90","","90","","9226.9","0.5","293.1","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C30 H57 Cr2 N21 Ni3 O3 -","- C30 H57 Cr2 N21 Ni3 O3 -","- C240 H456 Cr16 N168 Ni24 O24 -","8","0.333333","","Masaaki Ohba; Wakako Kaneko; Susumu Kitagawa; Takuho Maeda; Masaki Mito","Pressure Response of Three-Dimensional Cyanide-Bridged Bimetallic Magnets","Journal of the American Chemical Society","2008","130","","4475","4484","10.1021/ja7110509","","","0.7107","MoKα","","","0.031","","","","0.0932","","","","","","0.775","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108128","24.8817","0.0008","24.8817","0.0008","24.8817","0.0008","90","","90","","90","","15404.2","0.9","298","2","298","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C75 H96 S3 -","- C75 H96 S3 -","- C600 H768 S24 -","8","0.333333","","Jin-Liang Wang; Jing Yan; Zheng-Ming Tang; Qi Xiao; Yuguo Ma; Jian Pei","Gradient Shape-Persistent π-Conjugated Dendrimers for Light-Harvesting: Synthesis, Photophysical Properties, and Energy Funneling","Journal of the American Chemical Society","2008","130","","9952","9962","10.1021/ja803109r","","","0.71073","MoKα","","0.1615","0.0689","","","0.1704","0.1964","","","","","","0.96","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108982","16.2538","0.0003","16.2538","0.0003","16.2538","0.0003","90","","90","","90","","4294.03","0.14","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","O[Ir[(C6H3Me2)]3]2","Oxobis(tris(dimethylphenyl)iridium(IV)) deuterodichloromethane solvate","","- C49 H54 Cl2 D2 Ir2 O -","- C49.0002 H56.0004 Cl2 Ir2 O -","- C196.001 H224.002 Cl8 Ir8 O4 -","4","0.166667","","Kevin C. Fortner; David S. Laitar; John Muldoon; Lihung Pu; Sonja B. Braun-Sand; Olaf Wiest; Seth N. Brown","Ultrafast and Ultraslow Oxygen Atom Transfer Reactions between Late Metal Centers","Journal of the American Chemical Society","2007","129","","588","600","10.1021/ja065713h","","","0.71073","MoKα","","0.0177","0.0156","","0.0396","","0.0385","","","1.082","","","1.094","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4109449","24.632","0.003","24.632","0.003","24.632","0.003","90","","90","","90","","14945","3","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Au37 Ca12.6 In39.6 -","- Au37.003 Ca12.64 In39.609 -","- Au296.024 Ca101.12 In316.872 -","8","0.333333","","Qisheng Lin; John D. Corbett","Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning","Journal of the American Chemical Society","2007","129","","6789","6797","10.1021/ja069143x","","","0.71073","MoKα","","0.098","0.0557","","","0.1242","0.1432","","","","","","1.023","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4110725","20.9569","0.0008","20.9569","0.0008","20.9569","0.0008","90","","90","","90","","9204.1","0.6","133","2","146","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C39 H54 K2 N6 O12 Ti -","- C39 H54 K2 N6 O12 Ti -","- C312 H432 K16 N48 O96 Ti8 -","8","0.333333","","Anna V. Davis; Timothy K. Firman; Benjamin P. Hay; Kenneth N. Raymond","d-Orbital Effects on Stereochemical Non-Rigidity: Twisted TiIV Intramolecular Dynamics","Journal of the American Chemical Society","2006","128","","9484","9496","10.1021/ja0617946","","","0.71073","MoKα","","0.0739","0.0546","","","0.1506","0.1663","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111647","22.393","0.005","22.393","0.005","22.393","0.005","90","0.005","90","0.005","90","0.005","11229","4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C42 H24 N2 O13 Zn4 -","- C14 H8 N0.666667 O4.33333 Zn1.33333 -","- C336 H192 N16 O104 Zn32 -","24","1","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1584","0.072","","","0.1888","0.2537","","","","","","1.152","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4112907","20.5213","0.0003","20.5213","0.0003","20.5213","0.0003","90","","90","","90","","8642","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33(H2O)","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0375","0.035","","","0.106","0.1084","","","","","","1.047","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112908","20.7929","0.0003","20.7929","0.0003","20.7929","0.0003","90","","90","","90","","8989.7","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3[C4H4O(COO)4](OH)2(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~3H2O)","","- C8 H6 O15.67 Zn3.06 -","- C8 H6 O15.6667 Zn3.06017 -","- C192 H144 O376 Zn73.444 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0315","0.0299","","","0.0954","0.0963","","","","","","1.113","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112909","20.329","0.001","20.329","0.001","20.329","0.001","90","","90","","90","","8401.3","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)","","- C8 H6 Co2 O10 -","- C8 H6 Co2 O10 -","- C192 H144 Co48 O240 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1514","0.0695","","","0.1432","0.1773","","","","","","1.004","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112910","20.448","0.001","20.448","0.001","20.448","0.001","90","","90","","90","","8549.7","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33H2O","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0924","0.0541","","","0.1302","0.1481","","","","","","1.073","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112911","20.273","0.001","20.273","0.001","20.273","0.001","90","","90","","90","","8332.1","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)","","- C8 H4 Co2 O10 -","- C8 H4 Co2 O10 -","- C192 H96 Co48 O240 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.203","0.0821","","","0.1852","0.2211","","","","","","0.938","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112912","20.495","0.001","20.495","0.001","20.495","0.001","90","","90","","90","","8608.8","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33(H2O)","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0817","0.0531","","","0.1362","0.1528","","","","","","1.038","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112913","20.482","0.001","20.482","0.001","20.482","0.001","90","","90","","90","","8592.5","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3(O)0.75[C4H4O(COO)4](OH)0.5(H2O)0.83} x [Zn(OH)2(H2O)4]0.02","","- C8 H4 O11.08 Zn3.02 -","- C8 H4 O11.0833 Zn3.02333 -","- C192 H96 O266 Zn72.56 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1633","0.071","","","0.1443","0.184","","","","","","1.013","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112914","20.483","0.001","20.483","0.001","20.483","0.001","90","","90","","90","","8593.7","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Zn3(O)[C4H4O(COO)4](H2O)0.5","","- C8 H4 O10.5 Zn3 -","- C8 H4 O10.5 Zn3.02333 -","- C192 H96 O252 Zn72.56 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1732","0.0766","","","0.1662","0.2086","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112915","20.713","0.001","20.713","0.001","20.713","0.001","90","","90","","90","","8886.5","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3(O)0.12[C4H4O(COO)4](OH)1.76(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~2.5H2O)","","- C8 H4 O15.06 Zn3.01 -","- C8 H4 O15.0467 Zn3.01217 -","- C192 H96 O361.12 Zn72.292 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1268","0.0595","","","0.1352","0.1636","","","","","","1.034","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113398","9.8097","0.0007","9.8097","0.0007","9.8097","0.0007","90","","90","","90","","943.99","0.12","90","2","90","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","bis(methyl isocyanide) gold PF6","","","- C4 H6 Au F6 N2 P -","- C4 H6 Au F6 N2 P -","- C16 H24 Au4 F24 N8 P4 -","4","0.166667","","Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch","Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence","Journal of the American Chemical Society","2003","125","","1033","1040","10.1021/ja020902v","","","0.71073","MoKα","","0.0407","0.0356","","","0.0727","0.0745","","","","","","1.179","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4114486","27.1909","0.0004","27.1909","0.0004","27.1909","0.0004","90","","90","","90","","20103.5","0.5","158","2","293","2","","","","","","","","10","P a -3","-P 2ac 2ab 3","205","","","","- C87 H180 Cu6 F27 N30 O27 Os2 Re4 S9 Se8 -","- C115 H221.94 Cu6 F30 N44 O27 Os1.02 Re4.98 S9 Se8 -","- C460 H887.76 Cu24 F120 N176 O108 Os4.08 Re19.92 S36 Se32 -","4","0.166667","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.2343","0.0628","","0.2503","0.1696","","","","1.31","1.554","1.554","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114487","27.2115","0.0002","27.2115","0.0002","27.2115","0.0002","90","","90","","90","","20149.2","0.3","132","2","293","2","","","","","","","","10","P a -3","-P 2ac 2ab 3","205","","","","- C115 H222 Cu6 F27 N44 O27 Os2 Re4 S9 Se8 -","- C115 H221.94 Cu6 F27 N44 O27 Os1.98 Re4.02 S9 Se8 -","- C460 H887.76 Cu24 F108 N176 O108 Os7.92 Re16.08 S36 Se32 -","4","0.166667","","Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long","Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies","Journal of the American Chemical Society","2003","125","","15543","15553","10.1021/ja037444q","","","0.71073","MoKα","","0.11","0.0593","","0.1686","0.1442","","","","1.546","1.787","1.787","","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4116775","22.013","0.002","22.013","0.002","22.013","0.002","90","","90","","90","","10666.9","1.7","293","2","293","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","Compound 6a","","","- C49 H57 Co N3 O3 P Si4 Zr -","- C49 H57 Co N3 O3 P Si4 Zr -","- C392 H456 Co8 N24 O24 P8 Si32 Zr8 -","8","0.333333","","Georg Jansen; Martin Schubart; Bernd Findeis; Lutz H. Gade; Ian J. Scowen; Mary McPartlin","Unsupported Ti-Co and Zr-Co Bonds in Heterobimetallic Complexes: A Theoretical Description of Metal-Metal Bond Polarity","Journal of the American Chemical Society","1998","120","","7239","7251","10.1021/ja974160v","","","0.71073","MoKα","","0.1302","0.056","","0.1085","0.0847","","","","1.049","1.156","1.156","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4117098","12.3336","0.0009","12.3336","0.0009","12.3336","0.0009","90","","90","","90","","1876.2","0.2","213","2","213","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Hexachloro-bis(trimethylphosphine)-di-rhenium (III)","Bis(trichloro-trimethylphosphine)-di-rhenium (III)","","- C6 H18 Cl6 P2 Re2 -","- C6 H18 Cl6 P2 Re1.98 -","- C24 H72 Cl24 P8 Re7.92 -","4","0.166667","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0237","0.0237","","0.0469","0.0469","","","","1.24","1.241","1.241","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117816","24.349","0.0009","24.349","0.0009","24.349","0.0009","90","","90","","90","","14435.9","0.9","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C143 H139 Cl2 N23 O23 S6 Zn6 -","- C143 H129 Cl2 N23 O23 S6 Zn6 -","- C572 H516 Cl8 N92 O92 S24 Zn24 -","4","0.166667","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.1372","0.0923","","","0.2494","0.302","","","","","","1.048","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4119631","22.431","0.0015","22.431","0.0015","22.431","0.0015","90","","90","","90","","11286.2","1.3","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H30 F12 I14 S2 -","- C60 H9.9 F12 I14 S1.98 -","- C240 H39.6 F48 I56 S7.92 -","4","0.166667","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.101","0.0644","","","0.2187","0.2397","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119779","12.48147","0.00027","12.48147","","12.48147","","90","","90","","90","","1944.45","0.04","295","","295","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C2 N2 Zn -","- C2.33333 N2.33333 Zn -","- C28 N28 Zn12 -","12","0.5","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","0.424","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119780","12.46007","0.00083","12.46007","","12.46007","","90","","90","","90","","1934.47","0.13","295","","295","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C2 N2 Zn -","- C2.33333 N2.33333 Zn -","- C28 N28 Zn12 -","12","0.5","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.60665","synchrotron","","","","","","","","","","0.277","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4120318","23.0569","0.0013","23.0569","0.0013","23.0569","0.0013","90","","90","","90","","12257.5","1.2","100","1","100","1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C18 H30 Fe Li0.33 N2.33 O Si -","- C18 H30 Fe Li0.11 N2.33333 O Si -","- C432 H720 Fe24 Li2.64 N56 O24 Si24 -","24","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.0456","0.0304","","","0.0751","0.0806","","","","","","1.021","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4123452","25.888","0.003","25.888","0.003","25.888","0.003","90","","90","","90","","17350","3","250","2","250","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-155-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C432 H288 N48 O104 Zn32 -","8","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.7","synchrotron","","0.0767","0.0709","","","0.2421","0.2502","","","","","","1.198","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123925","34.2011","0.0008","34.2011","0.0008","34.2011","0.0008","90","","90","","90","","40005.5","1.6","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C165 H157 Ag29 N7 O7 P4 S24 -","- C144 H108 Ag29 P4 S24 -","- C1152 H864 Ag232 P32 S192 -","8","0.333333","","AbdulHalim, Lina G.; Bootharaju, Megalamane S.; Tang, Qing; Del Gobbo, Silvano; AbdulHalim, Rasha G.; Eddaoudi, Mohamed; Jiang, De-En; Bakr, Osman M.","Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster.","Journal of the American Chemical Society","2015","137","37","11970","11975","10.1021/jacs.5b04547","","","1.54178","CuKα","","0.1644","0.0894","","","0.2114","0.2758","","","","","","1.153","","","","has coordinates","160538","2020-10-21","18:00:00",""
"4124648","6.441","","6.441","","6.441","","90","","90","","90","","267.214","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Rh Te2 -","- Rh Te2 -","- Rh4 Te8 -","4","0.166667","","Geller, S.","The Crystal Structures of Rh Te and Rh Te2","Journal of the American Chemical Society","1955","77","","2641","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124754","17.8048","0.0005","17.8048","0.0005","17.8048","0.0005","90","","90","","90","","5644.3","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Fe-CAT-420","","","- C52 H60 Fe4 N6 O20.33 S1.73 -","- C52 H60 Fe4 N6 O20.334 S1.734 -","- C208 H240 Fe16 N24 O81.336 S6.936 -","4","0.166667","","Nguyen, Nhung T. T.; Furukawa, Hiroyasu; Gándara, Felipe; Trickett, Christopher A.; Jeong, Hyung Mo; Cordova, Kyle E.; Yaghi, Omar M.","Three-Dimensional Metal-Catecholate Frameworks and Their Ultrahigh Proton Conductivity.","Journal of the American Chemical Society","2015","137","49","15394","15397","10.1021/jacs.5b10999","","","0.7749","synchrotron","","0.0808","0.0662","","","0.18","0.1929","","","","","","1.062","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4125038","21.7394","0.0003","21.7394","0.0003","21.7394","0.0003","90","","90","","90","","10274.1","0.2","150","","150","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate ethanolate","","- C48 H48.87 Ag3 Cd N7 O3.44 P2 -","- C48 H48.873 Ag3 Cd N7 O3.437 P2 -","- C384 H390.984 Ag24 Cd8 N56 O27.496 P16 -","8","0.333333","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.049","0.0377","","0.0875","0.082","0.0875","","","","","","1.067","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4128899","22.557","0.0018","22.557","0.0018","22.557","0.0018","90","","90","","90","","11477.4","1.6","150","2","150","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","","","","- C20 H112 Mo2 N10 Na O96 P Se W22 -","- C4.8 Mo1.98 N2.4 O83 P Se W22.02 -","- C19.2 Mo7.92 N9.6 O332 P4 Se4 W88.08 -","4","0.166667","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.1004","0.0794","","","0.2043","0.2389","","","","","","1.214","","","","has coordinates,has disorder","221934","2020-10-21","18:00:00",""
"4130622","21.2832","0.0004","21.2832","0.0004","21.2832","0.0004","90","","90","","90","","9640.7","0.3","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","¡®MOF-950¡¯","¡®MOF-950¡¯","","- C30 H18 N0 O13 Zn4 -","- C30 H18 O13 Zn4 -","- C120 H72 O52 Zn16 -","4","0.166667","","Jiang, Juncong; Furukawa, Hiroyasu; Zhang, Yue-Biao; Yaghi, Omar M.","High Methane Storage Working Capacity in Metal-Organic Frameworks with Acrylate Links.","Journal of the American Chemical Society","2016","138","32","10244","10251","10.1021/jacs.6b05261","","","1.54178","CuKα","","0.0999","0.0824","","","0.2271","0.2495","","","","","","1.005","","","","has coordinates,has disorder","241015","2020-10-21","18:00:00",""
"4131322","21.1756","0.0007","21.1756","0.0007","21.1756","0.0007","90","","90","","90","","9495.3","0.5","120","","120","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Fe N3 Nb P4 -","- C48 H60 Fe N3 Nb P4 -","- C384 H480 Fe8 N24 Nb8 P32 -","8","0.333333","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0608","0.0337","","0.0662","0.0578","0.0662","","","","","","1.0091","","","","has coordinates","241550","2020-10-21","18:00:00",""
"4132715","40.52","0.002","40.52","0.002","40.52","0.002","90","","90","","90","","66529","6","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole PCN-81","- C17 H8 Cu N O4 -","- C17 H8 Cu N O4 -","- C816 H384 Cu48 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","","","","","","","","","","","","","","","","","","","has coordinates","287155","2023-10-27","23:54:11",""
"4132716","40.53","0.004","40.53","0.004","40.53","0.004","90","","90","","90","","66578","11","7.06","0.05","7.06","0.05","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole/PCN-81 w/ 3.71(3) CD4","- C20.25 H8 Cu D13 N O4 -","- C20.2483 H8 Cu D12.9963 N O4 -","- C971.92 H384 Cu48 D623.824 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","2.0775","neutron","","","","","","","","","","2.8022","","","","","","","has coordinates","242637","2020-10-21","18:00:00",""
"4132719","40.519","0.002","40.519","0.002","40.519","0.002","90","","90","","90","","66524","6","7.06","0.05","7.06","0.05","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole/PCN-81 w/ 1.95(15) CD4","- C18.89 H8 Cu D7.56 N O4 -","- C18.8915 H8 Cu D7.5585 N O4 -","- C906.792 H384 Cu48 D362.808 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","2.0775","neutron","","","","","","","","","","1.3026","","","","","","","has coordinates","242640","2020-10-21","18:00:00",""
"4132829","15.389","0.002","15.389","0.002","15.389","0.002","90","","90","","90","","3644.4","0.8","143","2","143","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C56 H40 O2 -","- C55.9992 H39.9984 O1.9998 -","- C223.997 H159.994 O7.9992 -","4","0.166667","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0586","0.0447","","","0.1178","0.1269","","","","","","1.071","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4134359","20.8114","0.0005","20.8114","0.0005","20.8114","0.0005","90","","90","","90","","9013.7","0.4","125","2","125","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","19023-NiLa","","","- C39 H63 La N3 Ni P3 -","- C39 H63 La N3 Ni P3 -","- C312 H504 La8 N24 Ni8 P24 -","8","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0382","0.0301","","","0.0613","0.0657","","","","","","1.21","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134525","42.4955","0.0011","42.4955","0.0011","42.4955","0.0011","90","","90","","90","","76741","3","150","2","150.01","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H114 N26 O22.33 P1.33 -","- C90 H114 N26 O22.3333 P1.33333 -","- C2160 H2735.99 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1561","0.1173","","","0.3064","0.3463","","","","","","1.003","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134526","42.271","0.006","42.271","","42.271","","90","","90","","90","","75531","11","150","2","150.02","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H110 N26 O22.33 P1.33 -","- C90 H110 N26 O22.3333 P1.33333 -","- C2160 H2640 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1427","0.108","","","0.2926","0.3237","","","","","","1.012","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4301558","17.7403","0.0004","17.7403","0.0004","17.7403","0.0004","90","","90","","90","","5583.2","0.2","103","2","103","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C31 H47 La O -","- C30.99 H39 La O -","- C247.92 H312 La8 O8 -","8","0.333333","","William J. Evans; Sara E. Lorenz; Joseph W. Ziller","Investigating Metal Size Effects in the Ln2(μ-η2:η2-N2) Reduction System: Reductive Reactivity with Complexes of the Largest and Smallest Trivalent Lanthanide Ions, La3+ and Lu3+","Inorganic Chemistry","2009","48","","2001","2009","10.1021/ic801853d","","","0.71073","MoKα","","0.0606","0.0447","","","0.0952","0.1095","","","","","","1.197","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301617","17.6324","0.0003","17.6324","0.0003","17.6324","0.0003","90","","90","","90","","5481.94","0.16","298","2","298","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Potassium octakis(mu3-sulfido)-hexaformato-hexa-rhenium(III)","","- C6 H6 K4 O12 Re6 S8 -","- C6 H6 K4 O12 Re6 S8 -","- C48 H48 K32 O96 Re48 S64 -","8","0.333333","","Konstantin A. Brylev; Yuri V. Mironov; Svetlana G. Kozlova; Vladimir E. Fedorov; Sung-Jin Kim; Hans-Jürgen Pietzsch; Holger Stephan; Akitaka Ito; Shoji Ishizaka; Noboru Kitamura","The First Octahedral Cluster Complexes With Terminal Formate Ligands: Synthesis, Structure, and Properties of K4[Re6S8(HCOO)6] and Cs4[Re6S8(HCOO)6]","Inorganic Chemistry","2009","48","","2309","2315","10.1021/ic802178q","","x-ray","0.71073","MoKα","","0.0257","0.0208","","","0.0444","0.0448","","","","","","1.732","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4302886","24.453","0.002","24.453","0.002","24.453","0.002","90","","90","","90","","14622","2","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C36 H162 Fe8 N12 Na2 O100 P24 -","- C36 H96 Fe8 N12 Na2 O99.98 P24 -","- C144 H384 Fe32 N48 Na8 O399.92 P96 -","4","0.166667","","Zi-Yi Du; Yu-Hui Sun; Qing-Yan Liu; Yong-Rong Xie; He-Rui Wen","Octanuclear Aluminum(III) and Iron(III) Phosphonate Cages Encapsulating Two NaI Ions","Inorganic Chemistry","2009","48","","7015","7017","10.1021/ic901130a","","","0.71073","MoKα","","0.0617","0.0488","","","0.1475","0.1614","","","","","","1.055","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4302887","24.1955","0.0005","24.1955","0.0005","24.1955","0.0005","90","","90","","90","","14164.6","0.5","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C36 H158 Al8 N12 Na2 O98 P24 -","- C36 H108 Al8 N12 Na2 O98 P24 -","- C144 H432 Al32 N48 Na8 O392 P96 -","4","0.166667","","Zi-Yi Du; Yu-Hui Sun; Qing-Yan Liu; Yong-Rong Xie; He-Rui Wen","Octanuclear Aluminum(III) and Iron(III) Phosphonate Cages Encapsulating Two NaI Ions","Inorganic Chemistry","2009","48","","7015","7017","10.1021/ic901130a","","","0.71073","MoKα","","0.078","0.0644","","","0.1785","0.1923","","","","","","1.147","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4303520","10.1087","0.0001","10.1087","0.0001","10.1087","0.0001","90","","90","","90","","1032.97","0.018","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","bis(acetonitrile)iodonium hexafluoroarsenate","","","- C4 H6 As F6 I N2 -","- C4 H6 As F6 I N2 -","- C16 H24 As4 F24 I4 N8 -","4","0.166667","","Margaret-Jane Crawford; Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Jan M. Welch","Does [I3]+ Act as an ""[I]+"" Donor to CH3CN and N2O? Structure of [H3CCN-I-NCCH3]+[AsF6]-","Inorganic Chemistry","2009","48","","9983","9985","10.1021/ic9015492","","","0.71073","MoKα","","0.0289","0.0143","","","0.032","0.0355","","","","","","0.877","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4304553","33.8871","0.0013","33.8871","0.0013","33.8871","0.0013","90","","90","","90","","38914","3","113","2","113","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C22 H60 La4 N9 Na Ni5 O58 -","- C22 H25 La3.86887 N9 Na Ni5 O48 -","- C528 H600 La92.8528 N216 Na24 Ni120 O1152 -","24","1","","Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Gary Nichol; Rong-Bin Huang; Lan-Sun Zheng","Dual Shell-like Magnetic Clusters Containing NiII and LnIII (Ln = La, Pr, and Nd) Ions","Inorganic Chemistry","2008","47","","2728","2739","10.1021/ic702079e","","","0.71073","MoKα","","0.0641","0.0522","","","0.1448","0.1509","","","","","","1.088","","","","has coordinates,has disorder","179083","2020-10-21","18:00:00",""
"4304620","22.3171","0.0006","22.3171","0.0006","22.3171","0.0006","90","","90","","90","","11115.1","0.5","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C114 H158 Fe2 K2 N14 O14 -","- C114 H144 Fe2 K2 N14 O14 -","- C456 H576 Fe8 K8 N56 O56 -","4","0.166667","","Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Rupam Dinda; Richard J. Staples; Ekkehard Sinn; Nigam P. Rath; Pericles Stavropoulos","Synthesis, Characterization, and Reactivity of Iron Trisamidoamine Complexes That Undergo Both Metal- and Ligand-Centered Oxidative Transformations","Inorganic Chemistry","2008","47","","1165","1172","10.1021/ic702154z","","","0.71073","MoKα","","0.1662","0.1253","","","0.3323","0.3675","","","","","","1.458","","","","has coordinates,has disorder","179084","2020-10-21","18:00:00",""
"4304962","9.0882","0.0007","9.0882","0.0007","9.0882","0.0007","90","","90","","90","","750.64","0.1","273","2","273","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Au3 Ca Ga -","- Au3 Ca Ga -","- Au24 Ca8 Ga8 -","8","0.333333","","Qisheng Lin; John D. Corbett","Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal","Inorganic Chemistry","2008","47","","3462","3464","10.1021/ic800087q","","","0.71073","MoKα","","0.0294","0.0284","","","0.0628","0.0634","","","","","","1.182","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304963","9.1107","0.0005","9.1107","0.0005","9.1107","0.0005","90","","90","","90","","756.23","0.07","273","2","273","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Au3.11 Ca Ga0.89 -","- Au3.109 Ca Ga0.891 -","- Au24.872 Ca8 Ga7.128 -","8","0.333333","","Qisheng Lin; John D. Corbett","Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal","Inorganic Chemistry","2008","47","","3462","3464","10.1021/ic800087q","","","0.71073","MoKα","","0.0321","0.0309","","","0.0799","0.081","","","","","","1.169","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304964","9.1022","0.0004","9.1022","0.0004","9.1022","0.0004","90","","90","","90","","754.12","0.06","273","2","273","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Au3.13 Ca Ga0.87 -","- Au3.133 Ca Ga0.867 -","- Au25.064 Ca8 Ga6.936 -","8","0.333333","","Qisheng Lin; John D. Corbett","Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal","Inorganic Chemistry","2008","47","","3462","3464","10.1021/ic800087q","","","0.71073","MoKα","","0.0321","0.0303","","","0.0793","0.0806","","","","","","1.135","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305718","23.9377","0.0008","23.9377","0.0008","23.9377","0.0008","90","","90","","90","","13716.6","0.8","273","2","273","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Au57.11 Ca13 Ga23.4 -","- Au57.112 Ca13 Ga23.404 -","- Au456.896 Ca104 Ga187.232 -","8","0.333333","","Qisheng Lin; John D. Corbett","Approximant Phases and an Icosahedral Quasicrystal in the Ca-Au-Ga System: The Influence of Size of Gallium versus Indium","Inorganic Chemistry","2008","47","","7651","7659","10.1021/ic800694j","","","0.71073","MoKα","","0.1333","0.052","","","0.0977","0.1102","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305871","29.7407","0.0006","29.7407","0.0006","29.7407","0.0006","90","","90","","90","","26305.9","0.9","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Heptanuclear Cd(II) cluster","","","- C105 H74 Br3 Cd7 N37 O19 P2 -","- C104.97 H73.92 Br3 Cd7 N36.99 O18.91 P1.99 -","- C839.76 H591.36 Br24 Cd56 N295.92 O151.28 P15.92 -","8","0.333333","","Ai-Xin Zhu; Jie-Peng Zhang; Yan-Yong Lin; Xiao-Ming Chen","Pentanuclear and Heptanuclear Helicates By Self-Assembly of d10 Metal Ions and a Rigid Aromatic Bis-Bidentate Chelator","Inorganic Chemistry","2008","47","","7389","7395","10.1021/ic8007969","","","0.71073","MoKα","","0.1001","0.071","","","0.1937","0.2213","","","","","","1.022","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4306523","9.57713","0.00021","9.57713","0.00021","9.57713","0.00021","90","","90","","90","","878.43","0.03","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Lithium dodecahydrododecaborate","","- B12 H12 Li2 -","- B12 H12 Li2 -","- B48 H48 Li8 -","4","0.166667","","Jae-Hyuk Her; Muhammed Yousufuddin; Wei Zhou; Satish S. Jalisatgi; James G. Kulleck; Jason A. Zan; Son-Jong Hwang; Robert C. Bowman; Terrence J. Udovic","Crystal Structure of Li2B12H12: a Possible Intermediate Species in the Decomposition of LiBH4","Inorganic Chemistry","2008","47","","9757","9759","10.1021/ic801345h","powder diffraction","","1.54059","CuKα","","","","","","","","","0.013","1.244","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308067","14.486","0.004","14.486","0.004","14.486","0.004","90","","90","","90","","3039.8","1.5","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C24 H58 Al2 N2 P2 -","- C24 H58.02 Al1.98 N2 P2 -","- C96 H232.08 Al7.92 N8 P8 -","4","0.166667","","Silke Courtenay; Denise Walsh; Sarah Hawkeswood; Pingrong Wei; Anjan Kumar Das; Douglas W. Stephan","Boron and Aluminum Complexes of Sterically Demanding Phosphinimines and Phosphinimides","Inorganic Chemistry","2007","46","","3623","3631","10.1021/ic0700351","","","0.71073","MoKα","","0.0633","0.0482","","","0.1423","0.1527","","","","","","1.058","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308069","14.298","0.004","14.298","0.004","14.298","0.004","90","","90","","90","","2923","1.4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H54 B2 F4 N2 P2 -","- C24 H54 B1.98 F4.02 N2 P2 -","- C96 H216 B7.92 F16.08 N8 P8 -","4","0.166667","","Silke Courtenay; Denise Walsh; Sarah Hawkeswood; Pingrong Wei; Anjan Kumar Das; Douglas W. Stephan","Boron and Aluminum Complexes of Sterically Demanding Phosphinimines and Phosphinimides","Inorganic Chemistry","2007","46","","3623","3631","10.1021/ic0700351","","","0.71073","MoKα","","0.0802","0.0588","","","0.1571","0.1757","","","","","","1.047","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308624","20.506","0.004","20.506","0.004","20.506","0.004","90","","90","","90","","8623","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C7 H11 Cl N O12 Pr -","- C7 H11 Cl N O12.0133 Pr -","- C168 H264 Cl24 N24 O288.32 Pr24 -","24","1","","Bin Zhao; Long Yi; Yan Dai; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Systematic Investigation of the Hydrothermal Syntheses of Pr(III)-PDA (PDA = Pyridine-2,6-dicarboxylate Anion) Metal-Organic Frameworks","Inorganic Chemistry","2005","44","","911","920","10.1021/ic049498m","","","0.71073","MoKα","","0.032","0.0215","","","0.0443","0.0485","","","","","","1.094","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308801","19.9818","0.0006","19.9818","0.0006","19.9818","0.0006","90","","90","","90","","7978.2","0.4","100","","100","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C7 H11 Cl La N O8 -","- C7 H3 Cl La N O8 -","- C168 H72 Cl24 La24 N24 O192 -","24","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their Conversion into an Open-Framework Structure","Inorganic Chemistry","2005","44","","3156","3161","10.1021/ic048159q","","","0.71073","MoKα","","0.0976","0.0933","","","0.2352","0.2373","","","","","","1.304","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308802","20.3661","0.0005","20.3661","0.0005","20.3661","0.0005","90","","90","","90","","8447.4","0.4","100","","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C7 H11 La N2 O11 -","- C7 H3 La N2 O11 -","- C168 H72 La24 N48 O264 -","24","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their Conversion into an Open-Framework Structure","Inorganic Chemistry","2005","44","","3156","3161","10.1021/ic048159q","","","0.71073","MoKα","","0.048","0.0464","","","0.1295","0.1304","","","","","","1.125","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308932","11.7472","0.0004","11.7472","0.0004","11.7472","0.0004","90","","90","","90","","1621.07","0.1","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.0237","0.0223","","","0.0568","0.0574","","","","","","1.143","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308933","11.8847","0.0003","11.8847","0.0003","11.8847","0.0003","90","","90","","90","","1678.67","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C3 H3 Br Cu N3 S3 -","- C3 H3 Br Cu N3 S3 -","- C24 H24 Br8 Cu8 N24 S24 -","8","0.333333","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.0411","0.0392","","","0.0866","0.0872","","","","","","1.344","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308934","12.0266","0.0004","12.0266","0.0004","12.0266","0.0004","90","","90","","90","","1739.52","0.1","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C3 H3 Cu I N3 S3 -","- C3 H3 Cu I N3 S3 -","- C24 H24 Cu8 I8 N24 S24 -","8","0.333333","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.0865","0.0836","","","0.188","0.1894","","","","","","1.314","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4310020","19.0415","0.0003","19.0415","0.0003","19.0415","0.0003","90","","90","","90","","6904.04","0.19","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C54 H102 Cr Li3 O6 Si6 -","- C54 H102 Cr Li3 O6 Si6 -","- C216 H408 Cr4 Li12 O24 Si24 -","4","0.166667","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.0537","0.0374","","0.1123","0.1046","","","","1.047","1.139","1.139","","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310022","18.8534","0.0013","18.8534","0.0013","18.8534","0.0013","90","","90","","90","","6701.5","0.8","293","2","293","2","","","","","","","synthetic","6","P a -3","-P 2ac 2ab 3","205","","","","- C42 H84 Co Li3 O3 Si6 -","- C36 H68 Co0.666667 Li2 O4 Si4 -","- C216 H408 Co4 Li12 O24 Si24 -","6","0.25","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.094","0.0542","","0.1609","0.1354","","","","1.043","1.081","1.081","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310183","19.99","0.002","19.99","0.002","19.99","0.002","90","","90","","90","","7988","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H78 Cu3 N6 O21 -","- C90 H72 Cu3 N6 O21 -","- C360 H288 Cu12 N24 O84 -","4","0.166667","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.1508","0.124","","","0.218","0.2292","","","","","","1.372","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310184","20.205","0.002","20.205","0.002","20.205","0.002","90","","90","","90","","8248.5","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H78 Mn3 N6 O21 -","- C90 H72 Mn3 N6 O21 -","- C360 H288 Mn12 N24 O84 -","4","0.166667","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.0603","0.0559","","","0.1364","0.139","","","","","","1.323","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310185","20.007","0.003","20.007","0.003","20.007","0.003","90","","90","","90","","8008","2","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H78 Co3 N6 O21 -","- C90 H72 Co3 N6 O21 -","- C360 H288 Co12 N24 O84 -","4","0.166667","","Xian-He Bu; Ming-Liang Tong; Ya-Bo Xie; Jian-Rong Li; Ho-Chol Chang; Susumu Kitagawa; Joan Ribas","Synthesis, Structures, and Magnetic Properties of the Copper(II), Cobalt(II), and Manganese(II) Complexes with 9-Acridinecarboxylate and 4-Quinolinecarboxylate Ligands","Inorganic Chemistry","2005","44","","9837","9846","10.1021/ic050886d","","","0.71073","MoKα","","0.0572","0.0492","","","0.1244","0.1289","","","","","","1.178","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310788","13.7849","0.0011","13.7849","0.0011","13.7849","0.0011","90","","90","","90","","2619.5","0.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- In K Se4 Sn -","- In K Se4 Sn -","- In12 K12 Se48 Sn12 -","12","0.5","","Seong-Ju Hwang; Ratnasabapathy G. Iyer; Pantelis N. Trikalitis; Andrew G. Ogden; Mercouri G. Kanatzidis","Cooling of Melts: Kinetic Stabilization and Polymorphic Transitions in the KInSnSe4 System","Inorganic Chemistry","2004","43","","2237","2239","10.1021/ic0351545","","","0.71073","MoKα","","0.0724","0.0641","","","0.1056","0.108","","","","","","1.296","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4312648","21.535","0.002","21.535","0.002","21.535","0.002","90","","90","","90","","9987","1.6","298","2","298","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","4","","","- C48 H45 Ag Au B2 F8 N6 P3 -","- C48 H45 Ag Au B2 F7.98 N6 P3 -","- C384 H360 Ag8 Au8 B16 F63.84 N48 P24 -","8","0.333333","","Vincent J. Catalano; Stephen J. Horner","Luminescent Gold(I) and Silver(I) Complexes of 2-(Diphenylphosphino)-1-methylimidazole (dpim): Characterization of a Three-Coordinate Au(I)-Ag(I) Dimer with a Short Metal-Metal Separation","Inorganic Chemistry","2003","42","","8430","8438","10.1021/ic030200m","","","0.71073","MoKα","","0.0736","0.0487","","","0.1196","0.1313","","","","","","1.191","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4314341","20.1198","0.0004","20.1198","0.0004","20.1198","0.0004","90","","90","","90","","8144.6","0.3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H110 N6 O64 P6 Zn9 -","- C24 H42 N6 O64 P6 Zn9 -","- C96 H168 N24 O256 P24 Zn36 -","4","0.166667","","Chong Lei; Jiang-Gao Mao; Yan-Qiong Sun; Hui-Yi Zeng; Abraham Clearfield","{Zn6[MeN(CH2CO2)(CH2PO3)]6(Zn)}4- Anion: The First Example of the Oxo-Bridged Zn6 Octahedron with a Centered Zn(II) Cation","Inorganic Chemistry","2003","42","","6157","6159","10.1021/ic034137c","","","0.71073","MoKα","","0.0539","0.0362","","","0.0814","0.0906","","","","","","1.153","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4315757","22.1544","0.0003","22.1544","0.0003","22.1544","0.0003","90","","90","","90","","10873.8","0.3","173","2","173","2","","","","","","","synthesis as described","6","P a -3","-P 2ac 2ab 3","205","rpVL815","","","- C63 H63 Au Cl O4 Sb3 -","- C63 H63 Au Cl O4 Sb3 -","- C504 H504 Au8 Cl8 O32 Sb24 -","8","0.333333","","Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru","Study of the Coordination Abilities of Stibine Ligands to Gold(I)","Inorganic Chemistry","2010","49","","5530","5541","10.1021/ic1003484","","x-ray","0.71073","MoKα","","0.0738","0.0514","","","0.126","0.141","","","","","","1.163","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4316269","18.346","0.002","18.346","0.002","18.346","0.002","90","","90","","90","","6174.8","1.2","203","2","203","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","catena-{hemi(hexaaquapotassium)-hemi[(18-crown-6)potassium]- [(μ-mesoxalato-κO,O'':O':O'':O''',O'''':O''''')tricopper- manganese]}.5.25hydrate, with H2 on crystal water and 18-c-6 included for calculation: C15 H31.50 Cu3 K Mn O29.25, M = 964.56, Z = 8, F(000) = 3892, Dx = 2.075 g/cm-3, kmin -20, lmin -19 hmax 19, kmax 15 lmax5 C36 H12 Cu12 Mn4 O72, 12(C2 O), K O3, 12(O1.17), 16.08(O), 3(K)","","- C60 H12 Cu12 K4 Mn4 O117.12 -","- C60 H12 Cu12 K4 Mn4 O117.12 -","- C120 H24 Cu24 K8 Mn8 O234.24 -","2","0.0833333","","Beatriz Gil-Hernández; Pedro Gili; Jana K. Vieth; Christoph Janiak; Joaquín Sanchiz","Magnetic Ordering in Two Molecule-Based (10,3)-a Nets Prepared from a Copper(II) Trinuclear Secondary Building Unit","Inorganic Chemistry","2010","49","","7478","7490","10.1021/ic100796e","","","0.71073","MoKα","","0.1446","0.0765","","","0.1467","0.1716","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4316474","20.95","0.002","20.95","0.002","20.95","0.002","90","","90","","90","","9195","1.5","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C60 H90 Cd6 Cl14 N24 O20 -","- C60 H90 Cd6 Cl14 N24 O20 -","- C240 H360 Cd24 Cl56 N96 O80 -","4","0.166667","","Xing Feng; Zhong-Fei Li; Sai-Feng Xue; Zhu Tao; Qian-Jiang Zhu; Yun-Qian Zhang; Jing-Xin Liu","Complexation of Cyclohexanocucurbit[6]uril with Cadmium Ions: X-ray Crystallographic and Electrochemical Study","Inorganic Chemistry","2010","49","","7638","7640","10.1021/ic1013494","","","0.71073","MoKα","","0.0531","0.0463","","","0.1325","0.1413","","","","","","1.099","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316968","18.2412","0.0001","18.2412","0.0001","18.2412","0.0001","90","","90","","90","","6069.6","0.06","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C51 H54 Gd2 N20 O21 -","- C51 H43.98 Gd2 N20 O21.02 -","- C204 H175.92 Gd8 N80 O84.08 -","4","0.166667","","Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su","Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption","Inorganic Chemistry","2010","49","","10166","10173","10.1021/ic1014384","","","0.71073","MoKα","","0.0469","0.0287","","","0.0733","0.0784","","","","","","1.017","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316969","18.3775","0.0012","18.3775","0.0012","18.3775","0.0012","90","","90","","90","","6206.7","0.7","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C51 H54 Er2 N20 O21 -","- C51 H42 Er2 N20 O21.02 -","- C204 H168 Er8 N80 O84.08 -","4","0.166667","","Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su","Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption","Inorganic Chemistry","2010","49","","10166","10173","10.1021/ic1014384","","","0.71073","MoKα","","0.0645","0.0419","","","0.1195","0.157","","","","","","1.011","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4317015","24.444","0.001","24.444","0.001","24.444","0.001","90","","90","","90","","14605.5","1","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Au47.2 Ca13 Sn28.1 -","- Au47.21 Ca13 Sn28.786 -","- Au377.68 Ca104 Sn230.288 -","8","0.333333","","Qisheng Lin; John D. Corbett","Development of an Icosahedral Quasicrystal and Two Approximants in the Ca-Au-Sn System: Syntheses and Structural Analyses","Inorganic Chemistry","2010","49","","10436","10444","10.1021/ic101356n","","","0.71073","MoKα","","0.324","0.0592","","","0.0857","0.1654","","","","1.11","1.11","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317359","27.26","0.012","27.26","0.012","27.26","0.012","90","","90","","90","","20257","15","213","2","213","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C48 H30 N12 O13 Zn4 -","- C48 H30 N12 O13 Zn4 -","- C192 H120 N48 O52 Zn16 -","4","0.166667","","Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Jian-Rong Li; Zheng-Bo Han; Hong-Cai Zhou","Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy Metal Ions and Size-Selective Catalysis","Inorganic Chemistry","2010","49","","11637","11642","10.1021/ic101935f","","","0.71073","MoKα","","0.1597","0.0494","","","0.102","0.1103","","","","","","0.989","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317360","27.3","0.02","27.3","0.02","27.3","0.02","90","","90","","90","","20346","3","213","2","213","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C216 H144 N24 O52 Zn16 -","4","0.166667","","Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Jian-Rong Li; Zheng-Bo Han; Hong-Cai Zhou","Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy Metal Ions and Size-Selective Catalysis","Inorganic Chemistry","2010","49","","11637","11642","10.1021/ic101935f","","","0.71073","MoKα","","0.2763","0.0821","","","0.1772","0.2108","","","","","","1.013","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317623","22.76","0.003","22.76","0.003","22.76","0.003","90","","90","","90","","11790","3","203","2","203","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Hexakis(dimethylammonium) tetra(mu4-thio)dodecaisothiocyanatotetratungsten(III,IV) semihydrate","","- C24 H49 N18 O0.5 S16 W4 -","- C24 H48 N18 O0.51 S16 W4 -","- C192 H384 N144 O4.08 S128 W32 -","8","0.333333","","Maxim N. Sokolov; Danil N. Dybtsev; Alexander V.Virovets; Vladimir P.Fedin; Pedro Esparza; Rita Hernandez-Molina; Dieter Fenske; A. Geoffrey Sykes","Preparation and Properties of the Aqua Ions [W4S4(H2O)12]n+ (n= 5, 6) and Crystal Structure of (Me2NH2)6[W4S4(NCS)12].0.5H2O#","Inorganic Chemistry","2002","41","","1136","1139","10.1021/ic010830t","","","0.56086","AgKα","","0.1026","0.0768","","","0.1924","0.2206","","","","","","1.013","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4318825","22.0634","0.0008","22.0634","0.0008","22.0634","0.0008","90","","90","","90","","10740.3","0.7","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C42 H46 B4 F16 N12 O2 Zn2 -","- C21 H22.98 B2 F8 N6 O0.99 Zn -","- C336 H367.68 B32 F128 N96 O15.84 Zn16 -","16","0.666667","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.1913","0.0619","","","0.0652","0.0771","","","","","","1.012","","","","has coordinates,has disorder","179268","2020-10-21","18:00:00",""
"4318826","21.982","0.003","21.982","0.003","21.982","0.003","90","","90","","90","","10622","3","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C42 H44 B4 Co2 F16 N12 O -","- C42 H43.98 B4 Co2 F16 N12 O0.99 -","- C336 H351.84 B32 Co16 F128 N96 O7.92 -","8","0.333333","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.1171","0.0756","","","0.1939","0.2208","","","","","","1.028","","","","has coordinates,has disorder","179268","2020-10-21","18:00:00",""
"4318827","21.98","0.003","21.98","0.003","21.98","0.003","90","","90","","90","","10619","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C42 H42 B4 F16 N12 Ni2 -","- C42 H42 B4 F16.01 N12 Ni2 -","- C336 H336 B32 F128.08 N96 Ni16 -","8","0.333333","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.1203","0.0771","","","0.1942","0.221","","","","","","1.028","","","","has coordinates,has disorder","179268","2020-10-21","18:00:00",""
"4318828","21.973","0.003","21.973","0.003","21.973","0.003","90","","90","","90","","10609","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C21 H21 B2 Cu F8 N6 -","- C21 H21 B2 Cu F8 N6 -","- C336 H336 B32 Cu16 F128 N96 -","16","0.666667","","Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin","Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing","Inorganic Chemistry","2002","41","","5978","5985","10.1021/ic0203623","","","0.71073","MoKα","","0.1031","0.072","","","0.1852","0.2211","","","","","","1.045","","","","has coordinates,has disorder","179268","2020-10-21","18:00:00",""
"4319200","14.0762","0.0001","14.0762","0.0001","14.0762","0.0001","90","","90","","90","","2789.05","0.03","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C12 H18 Ga N3 O6 -","- C12 H18 Ga N3 O6 -","- C96 H144 Ga8 N24 O48 -","8","0.333333","","Hongyan Luo; Natashia Eberly; Robin D. Rogers; Martin W. Brechbiel","Syntheses and Characterizations of Metal Complexes Derived from cis,cis-1,3,5-Triaminocyclohexane-N,N',N''-triacetic Acid","Inorganic Chemistry","2001","40","","493","498","10.1021/ic000603b","","","0.71073","MoKα","","0.0628","0.043","","0.0936","0.086","","","","1.139","1.187","1.187","","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319285","21.8012","0.0009","21.8012","0.0009","21.8012","0.0009","90","","90","","90","","10361.9","0.7","173","2","173","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C110 H158 O6 Zn6 -","- C110 H152 O6 Zn6 -","- C440 H608 O24 Zn24 -","4","0.166667","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.04","0.0288","","","0.0711","0.0775","","","","","","1.051","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319289","23.604","0.0006","23.604","0.0006","23.604","0.0006","90","","90","","90","","13150.9","0.6","173","2","173","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C65 H108 O7 Zn3 -","- C65.72 H100 O6.75 Zn3 -","- C525.76 H800 O54 Zn24 -","8","0.333333","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.0657","0.0462","","","0.0986","0.1091","","","","","","1.122","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00",""
"4320271","21.669","0.006","21.669","0.006","21.669","0.006","90","","90","","90","","10175","5","212","2","212","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","none","Bis(tetra(mu3-thio)(phosporoustrihydroxo)trichlorohexaaquatrimolybdenum palladium) cucurbituril dichloride dodecahydrate","","- C36 H106 Cl8 Mo6 N24 O50 P2 Pd2 S8 -","- C36 H36 Cl7.98 Mo6 N24 O49.98 P2 Pd2 S8 -","- C144 H144 Cl31.92 Mo24 N96 O199.92 P8 Pd8 S32 -","4","0.166667","","Maxim N. Sokolov; Alexander V.Virovets; Danil N. Dybtsev; Elena V. Chubarova; Vladimir P.Fedin; Dieter Fenske","Phosphorous Acid and Arsenious Acid as Ligands","Inorganic Chemistry","2001","40","","4816","4817","10.1021/ic015520p","","","0.71073","MoKα","","0.0998","0.0599","","","0.1462","0.1771","","","","","","1.117","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320272","21.7016","0.0012","21.7016","0.0012","21.7016","0.0012","90","","90","","90","","10220.6","1","298","2","298","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","none","Bis(tetra(mu3-thio)(arsenictrihydroxo)trichlorohexaaquatrimolybdenum palladium) cucurbituril dichloride nanodecahydrate","","- C36 H104 As2 Cl8 Mo6 N24 O49 Pd2 S8 -","- C36 H36 As2 Cl7.98 Mo6 N24 O49.02 Pd2 S8 -","- C144 H144 As8 Cl31.92 Mo24 N96 O196.08 Pd8 S32 -","4","0.166667","","Maxim N. Sokolov; Alexander V.Virovets; Danil N. Dybtsev; Elena V. Chubarova; Vladimir P.Fedin; Dieter Fenske","Phosphorous Acid and Arsenious Acid as Ligands","Inorganic Chemistry","2001","40","","4816","4817","10.1021/ic015520p","","","0.71073","MoKα","","0.0838","0.0587","","","0.1512","0.1663","","","","","","1.056","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4321173","29.9377","0.0014","29.9377","0.0014","29.9377","0.0014","90","","90","","90","","26832","2","158","","158","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C115 H150 Eu8 O26 -","- C114 H108 Eu8 O26 -","- C912 H864 Eu64 O208 -","8","0.333333","","William J. Evans; Michael A. Greci; Joseph W. Ziller","Reactivity of ""Eu(OiPr)2"" with Phenols: Formation of Linear Eu3, Square Pyramidal Eu5, Cubic Eu8, and Capped Cubic Eu9 Polymetallic Europium Complexes","Inorganic Chemistry","2000","39","","3213","3220","10.1021/ic9909532","","","0.71073","MoKα","","0.2071","0.1086","","","0.2515","0.3037","","","","","","1.038","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321641","12.4887","0.0014","12.4887","0.0014","12.4887","0.0014","90","","90","","90","","1947.8","0.4","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C2 H3 Ag B11 Cl11 -","- Ag B12.24 Cl11.28 -","- Ag4 B48.96 Cl45.12 -","4","0.166667","","Chi-Wing Tsang; Qingchuan Yang; Eric Tung-Po Sze; Thomas C. W. Mak; Dominic T. W. Chan; Zuowei Xie","Weakly Coordinating Nature of a Carborane Cage Bearing Different Halogen Atoms. Synthesis and Structural Characterization of Icosahedral Mixed Halocarborane Anions, 1-H-CB11Y5X6- (X, Y = Cl, Br, I)","Inorganic Chemistry","2000","39","","5851","5858","10.1021/ic000354r","","","0.71073","MoKα","","0.0776","0.0638","","","0.1699","0.1824","","","","","","1.095","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4322436","23.0997","0.0002","23.0997","0.0002","23.0997","0.0002","90","","90","","90","","12325.9","0.18","203","2","203","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C114 H108 Br15 Cu8 P6 -","- C114 H108 Br15 Cu8 P6 -","- C456 H432 Br60 Cu32 P24 -","4","0.166667","","Graham A. Bowmaker; Peter D. W. Boyd; Clifton E. F. Rickard; Marcia L. Scudder; Ian G. Dance","The [Cu8Br15]6- Ion, A Crystal-Stabilized High-Symmetry Mixed-Valence Copper Complex with a Linear Halogen Bridge","Inorganic Chemistry","1999","38","","5476","5477","10.1021/ic990754i","","","0.71073","MoKα","","0.0801","0.0679","","","0.2194","0.2304","","","","","","1.088","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4322880","21.0024","0.0001","21.0024","0.0001","21.0024","0.0001","90","","90","","90","","9264.18","0.08","298","2","298","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 Fe2 N22 O15 -","- C39 H45 Fe2 N22 O15 -","- C312 H360 Fe16 N176 O120 -","8","0.333333","","Zhiqiang Xu; Laurence K. Thompson; David O. Miller; Howard J. Clase; Judith A. K. Howard; Andrés E. Goeta","Spiral Dinuclear Complexes of Tetradentate N4 Diazine Ligands with Mn(II), Fe(II), Fe(III), Co(III), and Ni(II) Salts","Inorganic Chemistry","1998","37","","3620","3627","10.1021/ic9715761","","","0.71073","MoKα","","0.0617","0.0615","","0.1642","0.164","","","","1.117","1.117","1.117","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4322948","30.83","0.01","30.83","0.01","30.83","0.01","90","","90","","90","","29304","16","258","","258","","","","","","","","see paper","6","P a -3","-P 2ac 2ab 3","205","compound no. 9","","","- C149 H159 O13 P9 Ru3 Ti3 -","- C163 H136 O13 P9 Ru3 Ti3 -","- C1304 H1088 O104 P72 Ru24 Ti24 -","8","0.333333","","Thomas Rüther; Ulli Englert; Ulrich Koelle","Synthesis and Complexation Properties of the Anions (η5-C5Me5)Ru(PR2O)32- as Ligands","Inorganic Chemistry","1998","37","","4265","4271","10.1021/ic971319w","","","0.71073","Mo-Kα","","","0.071","","","0.073","","","","","1.417","1.417","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4323398","21.85","0.005","21.85","0.005","21.85","0.005","90","","90","","90","","10432","4","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C24 H56 Ag4 F24 N12 O4 P4 -","- C27 H38.01 Ag4 F23.96 N12 O P4 -","- C216 H304.08 Ag32 F191.68 N96 O8 P32 -","8","0.333333","","Lucia Carlucci; Gianfranco Ciani; Davide M. Proserpio; Angelo Sironi","A Novel 3D Three-Connected cubic Network Containing [Ag6(hmt)6]6+ hexagonal Units (hmt = Hexamethylenetetramine)","Inorganic Chemistry","1997","36","","1736","1737","10.1021/ic970043p","","","0.71073","MoKα","","","0.0718","","","0.1714","","","","","1.106","1.106","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4325112","20.818","0.0003","20.818","0.0003","20.818","0.0003","90","","90","","90","","9022.3","0.2","120","","120","","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Cl Co Hf I N3 P3 -","- C45 H51 Cl Co Hf I N3 P3 -","- C360 H408 Cl8 Co8 Hf8 I8 N24 P24 -","8","0.333333","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.0285","0.0232","","0.0609","0.0534","0.0609","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326250","8.8895","0.0003","8.8895","0.0003","8.8895","0.0003","90","","90","","90","","702.48","0.04","200","2","200","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Mo0.5 O7.25 V1.5 Zr -","- Mo0.5 O7.26 V1.5 Zr -","- Mo2 O29.04 V6 Zr4 -","4","0.166667","","Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row","Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7","Inorganic Chemistry","2011","50","","8774","8781","10.1021/ic201224g","","","0.71073","MoKα","","0.0449","0.026","","","0.0461","0.0483","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326251","8.8969","0.0004","8.8969","0.0004","8.8969","0.0004","90","","90","","90","","704.23","0.05","298","2","298","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Mo0.5 O7.25 V1.5 Zr -","- Mo0.5 O7.26 V1.5 Zr -","- Mo2 O29.04 V6 Zr4 -","4","0.166667","","Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row","Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7","Inorganic Chemistry","2011","50","","8774","8781","10.1021/ic201224g","","","0.71073","MoKα","","0.0362","0.0213","","","0.0436","0.0457","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326252","8.9004","0.0005","8.9004","0.0005","8.9004","0.0005","90","","90","","90","","705.06","0.07","400","2","400","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Mo0.5 O7.25 V1.5 Zr -","- Mo0.5 O7.26 V1.5 Zr -","- Mo2 O29.04 V6 Zr4 -","4","0.166667","","Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row","Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7","Inorganic Chemistry","2011","50","","8774","8781","10.1021/ic201224g","","","0.71073","MoKα","","0.0449","0.025","","","0.0532","0.0553","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326534","16.7644","0.0002","16.7644","0.0002","16.7644","0.0002","90","","90","","90","","4711.55","0.1","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ba3.97 Fe3 K1.03 O9 -","- Ba3.96925 Fe3 K1.03075 O9 -","- Ba63.508 Fe48 K16.492 O144 -","16","0.666667","","Qingbiao Zhao; Saritha Nellutla; Won-Joon Son; Shae A. Vaughn; Longfei Ye; Mark D. Smith; Vincent Caignaert; Michael Lufaso; Thomas M. Pekarek; Alex I. Smirnov; Myung-Hwan Whangbo; Hans-Conrad zur Loye","Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra","Inorganic Chemistry","2011","50","","10310","10318","10.1021/ic201374g","","","0.71073","MoKα","","0.0451","0.0314","","","0.0632","0.0679","","","","","","1.078","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326598","23.922","0.001","23.922","0.001","23.922","0.001","90","","90","","90","","13689.7","1","150","0.1","150","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C61 H110 Cl2 Cu4 I4 P4 -","- C60 H108 Cu4 I4 P4 -","- C480 H864 Cu32 I32 P32 -","8","0.333333","","Sandrine Perruchas; Cédric Tard; Xavier F. Le Goff; Alexandre Fargues; Alain Garcia; Samia Kahlal; Jean-Yves Saillard; Thierry Gacoin; Jean-Pierre Boilot","Thermochromic Luminescence of Copper Iodide Clusters: The Case of Phosphine Ligands","Inorganic Chemistry","2011","50","","10682","10692","10.1021/ic201128a","","","0.71069","MoKα","","0.0611","0.035","","","0.0728","0.0781","","","","","","1.042","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4328642","15.62209","","15.62209","","15.62209","","90","","90","","90","","3812.57","","293","","293","","","","101.325","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- N2 O4 Si2 Sr3 -","- N2 O4 Si2 Sr3 -","- N48 O96 Si48 Sr72 -","24","1","","Xiao-Ming Wang; Chun-Hai Wang; Xiao-Jun Kuang; Ru-Qiang Zou; Ying-Xia Wang; Xi-Ping Jing","Promising Oxonitridosilicate Phosphor Host Sr3Si2O4N2: Synthesis, Structure, and Luminescence Properties Activated by Eu2+ and Ce3+/Li+ for pc-LEDs","Inorganic Chemistry","2012","51","","3540","3547","10.1021/ic202340q","powder diffraction","neutron","0.71073","*neutron","","0.0085","","","","","","0.0172","0.0203","1.18","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329332","18.552","0.0003","18.552","0.0003","18.552","0.0003","90","","90","","90","","6385.17","0.18","100","0.3","100","0.3","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cu12 K6 S15 U2 -","- Cu12 K6 S15 U2 -","- Cu96 K48 S120 U16 -","8","0.333333","","Christos D. Malliakas; Jiyong Yao; Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Eun Sang Choi; Mahalingam Balasubramanian; L. Soderholm; Donald E. Ellis; Mercouri G. Kanatzidis; James A. Ibers","Oxidation State of Uranium in A6Cu12U2S15 (A = K, Rb, Cs) Compounds","Inorganic Chemistry","2012","51","","6153","6163","10.1021/ic300172k","","","0.71073","MoKα","","0.0478","0.0457","","","0.1157","0.1185","","","","","","1.19","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329960","13.126","0.002","13.126","0.002","13.126","0.002","90","","90","","90","","2261.5","0.6","100","2","100","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- K0.5 S2 Sn0.75 Zn0.25 -","- K0.5 S2 Sn0.75 Zn0.25 -","- K12 S48 Sn18 Zn6 -","24","1","","Zohreh Hassanzadeh Fard; Mercouri G. Kanatzidis","Phase-Change Materials Exhibiting Tristability: Interconverting Forms of Crystalline α-, β-, and Glassy K2ZnSn3S8","Inorganic Chemistry","2012","51","","7963","7965","10.1021/ic301276y","","","0.71073","MoKα","","0.0552","0.0481","","","0.1347","0.139","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330599","25.9744","0.0008","25.9744","0.0008","25.9744","0.0008","90","","90","","90","","17524.1","0.9","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","hexa(N-methylpyrrolidone)bis{2,7,12-trimethoxy-3,8,13-tris (4-N-oxide-pyridyloxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene} disilver(I) perchlorate N-methylpyrrolidone clathrate","","- C114 H120 Ag3 Cl3 N12 O42 -","- C114 H120 Ag3 Cl3 N12 O42 -","- C456 H480 Ag12 Cl12 N48 O168 -","4","0.166667","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1489","0.0958","","","0.272","0.2982","","","","","","1.074","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4331148","23.934","0.003","23.934","0.003","23.934","0.003","90","","90","","90","","13710","3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","'[Fe^II^{(CN)Fe^III^(saldet)}~6~]Cl~2~.H~2~O","","","- C114 H116 Cl2 Fe7 N24 O13 -","- C114 H114 Fe7 N24 O12 -","- C456 H456 Fe28 N96 O48 -","4","0.166667","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.0425","0.0325","","","0.0864","0.0891","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331149","24.1809","0.0007","24.1809","0.0007","24.1809","0.0007","90","","90","","90","","14139","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","'[Fe^II^{(CN)Fe^III^(saldet)}~6~]Cl~2~.H~2~O","","","- C114 H116 Cl2 Fe7 N24 O13 -","- C114 H114 Fe7 N24 O12 -","- C456 H456 Fe28 N96 O48 -","4","0.166667","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.0466","0.0364","","","0.1068","0.11","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331440","13.313","","13.313","","13.313","","90","","90","","90","","2359.54","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Na (Zr6 Cl10.94 I3.06 B)","","- B Cl10.94 I3.06 Na Zr6 -","- B Cl10.938 I3.062 Na Zr6 -","- B4 Cl43.752 I12.248 Na4 Zr24 -","4","0.166667","","Koeckerling, M.","Na Zr6 Cl10.94 I3.06 B : a second structure type in the (Zr6 X14 Z)-family of reduced zirconium halides. Perspectives for an even larger cluster chemistry","Inorganic Chemistry","1998","37","","380","381","10.1021/ic971009d","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332484","18.063","0.002","18.063","0.002","18.063","0.002","90","","90","","90","","5893.5","1.1","250","2","110","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","Compound1","","","- Co2 Cs Er13 I24 -","- Co2 Cs Er13 I24 -","- Co8 Cs4 Er52 I96 -","4","0.166667","","Sweet, Lucas E.; Hughbanks, Timothy","CsR(R6CoI12)2(R = Gd, Er) and (CeI)0.26(Ce6MnI9)2: Two New Structure Types Featuring R6Z Clusters","Inorganic Chemistry","2006","45","24","9696","9702","10.1021/ic060439d","","","0.71073","MoKα","","0.0701","0.0459","","","0.0932","0.1019","","","","","","1.116","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4333418","20.9553","0.0003","20.9553","0.0003","20.9553","0.0003","90","","90","","90","","9202","0.2","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C45 H48 Cl N9 Ni2 O7 -","- C45 H48 Cl N9 Ni2 O7 -","- C360 H384 Cl8 N72 Ni16 O56 -","8","0.333333","","Chaudhuri, Phalguni; Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Biswas, Biplab; Bothe, Eberhard; Bill, Eckhard","Tridentate Facial Ligation of Tris(pyridine-2-aldoximato)nickel(II) and Tris(imidazole-2-aldoximato)nickel(II) To Generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZnIINiIIand the Electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIIISpecies: A Magnetostructural, Electrochemical, and EPR Spectroscopic Study","Inorganic Chemistry","2007","46","21","9003","9016","10.1021/ic701073j","","","0.71073","MoKα","","0.0521","0.0464","","","0.1186","0.1218","","","","","","1.166","","","","has coordinates,has disorder","179437","2020-10-21","18:00:00",""
"4333826","17.0952","0.0006","17.0952","0.0006","17.0952","0.0006","90","","90","","90","","4996","0.3","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Pb2 S25 Ti7 Tl18 -","- Pb2 S25 Ti7 Tl18 -","- Pb8 S100 Ti28 Tl72 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.0522","0.0379","","","0.059","0.0646","","","","","","1.111","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333827","17.6758","0.0016","17.6758","0.0016","17.6758","0.0016","90","","90","","90","","5522.5","0.9","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Pb2 Se25 Ti7 Tl18 -","- Pb2 Se25 Ti7 Tl18 -","- Pb8 Se100 Ti28 Tl72 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.0999","0.0535","","","0.1087","0.1304","","","","","","1.116","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333828","17.463","0.003","17.463","0.003","17.463","0.003","90","","90","","90","","5325.5","1.6","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Pb2 S25 Tl18 Zr7 -","- Pb2 S25 Tl18 Zr7 -","- Pb8 S100 Tl72 Zr28 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.1025","0.0625","","","0.1198","0.1376","","","","","","1.087","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333829","17.4489","0.0008","17.4489","0.0008","17.4489","0.0008","90","","90","","90","","5312.6","0.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Hf7 Pb2 S25 Tl18 -","- Hf7 Pb2 S25 Tl18 -","- Hf28 Pb8 S100 Tl72 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.0527","0.0362","","","0.072","0.0813","","","","","","1.089","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333830","18.001","0.003","18.001","0.003","18.001","0.003","90","","90","","90","","5833","1.7","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Hf7 Pb2 Se25 Tl18 -","- Hf7 Pb2 Se25 Tl18 -","- Hf28 Pb8 Se100 Tl72 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.0603","0.0374","","","0.0641","0.0737","","","","","","1.068","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4335859","19.574","0.002","19.574","0.002","19.574","0.002","90","","90","","90","","7499.6","1.3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H78 N6 O24 Ti6 -","- C60 H78 N6 O24 Ti6 -","- C240 H312 N24 O96 Ti24 -","4","0.166667","","Keunil Hong; Hyungphil Chun","Nonporous Titanium-Oxo Molecular Clusters That Reversibly and Selectively Adsorb Carbon Dioxide","Inorganic Chemistry","2013","52","","9705","9707","10.1021/ic401122u","","","0.85","Synchrotron","","0.1032","0.0889","","","0.2654","0.2861","","","","","","1.134","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335948","29.4972","0.0002","29.4972","0.0002","29.4972","0.0002","90","","90","","90","","25665.1","0.3","150","","150","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C241 H289 Cl3 N48 O24 Pd24 -","- C241 H289 Cl3 N48 O24 Pd24 -","- C964 H1156 Cl12 N192 O96 Pd96 -","4","0.166667","","Claire A. Murray; Christine J. Cardin; Barnaby W. Greenland; Andrew Swift; Howard M. Colquhoun","Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3-) and Trithiocyanurato(3-) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules","Inorganic Chemistry","2013","52","","10424","10430","10.1021/ic401253q","","","0.71073","MoKα","","0.117","0.0842","","0.2173","0.2017","0.2173","","","","","","1.3384","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4337005","8.0301","0.0007","8.0301","0.0007","8.0301","0.0007","90","","90","","90","","517.8","0.08","298","0.2","298","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- O6 Sb0.5 Se2 V0.5 -","- O6 Sb0.5 Se2 V0.5 -","- O24 Sb2 Se8 V2 -","4","0.166667","","Yiseul Shin; Dong Woo Lee; Kwang Yong Choi; Hyun-Joo Koo; Kang Min Ok","VSb(SeO3)4, First Selenite Containing V3+ Cation: Synthesis, Structure, Characterization, Magnetic Properties, and Calculations","Inorganic Chemistry","2013","52","","14224","14230","10.1021/ic4021564","","","0.71073","MoKα","","0.0729","0.0285","","","0.0401","0.0456","","","","","","0.9","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337724","24.2185","0.0014","24.2185","0.0014","24.2185","0.0014","90","","90","","90","","14205","1.4","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C72 H101 Fe N9 O6 -","- C71.9995 H100.997 Fe N9 O6 -","- C575.996 H807.972 Fe8 N72 O48 -","8","0.333333","","Adelhardt, Mario; Chalkley, Matthew J.; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Meyer, Karsten","Synthesis and characterization of iron trisphenolate complexes with hydrogen-bonding cavities.","Inorganic chemistry","2014","53","6","2763","2765","10.1021/ic5002286","","","0.71073","MoKα","","0.084","0.0689","","","0.1805","0.1959","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337725","23.772","0.003","23.772","0.003","23.772","0.003","90","","90","","90","","13434","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69.5 H98.5 N8.5 O6 Zn -","- C69.5 H95.9997 N8.50001 O6 Zn -","- C556 H767.998 N68.0001 O48 Zn8 -","8","0.333333","","Adelhardt, Mario; Chalkley, Matthew J.; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Meyer, Karsten","Synthesis and characterization of iron trisphenolate complexes with hydrogen-bonding cavities.","Inorganic chemistry","2014","53","6","2763","2765","10.1021/ic5002286","","","0.71073","MoKα","","0.0586","0.0403","","","0.1056","0.1202","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4338195","8.8114","0.0002","8.8114","0.0002","8.8114","0.0002","90","","90","","90","","684.12","0.03","298","0.2","298","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cs O6 Se2 Y -","- Cs O6 Se2 Y -","- Cs4 O24 Se8 Y4 -","4","0.166667","","Bang, Seong-Eun; Lee, Dong Woo; Ok, Kang Min","Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2014","53","9","4756","4762","10.1021/ic500548v","","","0.71073","MoKα","","0.0169","0.0148","","","0.0383","0.0388","","","","","","1.222","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338925","12.084","0.004","12.084","0.004","12.084","0.004","90","","90","","90","","1764.5","1","173","2","173","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- H10 O6 Re6 Se8 -","- O6 Re6 Se8 -","- O24 Re24 Se32 -","4","0.166667","","Brylev, Konstantin A.; Mironov, Yuri V.; Yarovoi, Spartak S.; Naumov, Nikolai G.; Fedorov, Vladimir E.; Kim, Sung-Jin; Kitamura, Noboru; Kuwahara, Yusuke; Yamada, Konatsu; Ishizaka, Shoji; Sasaki, Yoichi","A family of octahedral rhenium cluster complexes [Re6Q8(H2O)n(OH)6-n]n-4 (Q=S, Se; n=0-6): structural and pH-dependent spectroscopic studies.","Inorganic chemistry","2007","46","18","7414","7422","10.1021/ic7005265","","","0.71073","MoKα","","0.0689","0.0389","","","0.078","0.082","","","","","","0.878","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4340306","21.821","0.003","21.821","0.003","21.821","0.003","90","","90","","90","","10390","2","195","2","195","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C84 H120 O24 Ti6 -","- C84 H120 O24 Ti6 -","- C336 H480 O96 Ti24 -","4","0.166667","","Hong, Keunil; Bak, Woojeong; Chun, Hyungphil","Robust Molecular Crystals of Titanium(IV)-oxo-Carboxylate Clusters Showing Water Stability and CO2 Sorption Capability.","Inorganic chemistry","2014","53","14","7288","7293","10.1021/ic500629y","","","0.64999","Synchrotron","","0.0685","0.055","","","0.1818","0.1905","","","","","","1.085","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340650","26.0512","0.001","26.0512","0.001","26.0512","0.001","90","","90","","90","","17680","1.2","173","2","173","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C45 H20 O19 Zr3 -","- C45 H18 O19 Zr3 -","- C360 H144 O152 Zr24 -","8","0.333333","","Wang, Bin; Huang, Hongliang; Lv, Xiu-Liang; Xie, Yabo; Li, Ming; Li, Jian-Rong","Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization.","Inorganic chemistry","2014","53","17","9254","9259","10.1021/ic5013473","","","0.71073","MoKα","","0.1041","0.0865","","","0.2048","0.2159","","","","","","1.065","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340651","26.3478","0.0001","26.3478","0.0001","26.3478","0.0001","90","","90","","90","","18290.8","0.12","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C42 H20 O22 S3 Zr3 -","- C42 H18 O22 S3 Zr3 -","- C336 H144 O176 S24 Zr24 -","8","0.333333","","Wang, Bin; Huang, Hongliang; Lv, Xiu-Liang; Xie, Yabo; Li, Ming; Li, Jian-Rong","Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization.","Inorganic chemistry","2014","53","17","9254","9259","10.1021/ic5013473","","","1.54178","CuKα","","0.0653","0.0466","","","0.1229","0.1321","","","","","","0.917","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4341239","20.5595","0.0002","20.5595","0.0002","20.5595","0.0002","90","","90","","90","","8690.36","0.15","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C67 H128 O24 Ti6 -","- C66.9996 H128 O24 Ti6 -","- C267.998 H512.001 O96 Ti24 -","4","0.166667","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.1193","0.0855","","","0.2051","0.2346","","","","","","1.165","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4342058","8.474","0.0015","8.474","0.0015","8.474","0.0015","90","","90","","90","","608.51","0.19","296","2","296","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- P2 Pt6 Sr -","- P2 Pt6 Sr -","- P8 Pt24 Sr4 -","4","0.166667","","Lv, Bing; Jawdat, BenMaan I; Wu, Zheng; Sorolla, 2nd, Maurice; Gooch, Melissa; Zhao, Kui; Deng, Liangzi; Xue, Yu-Yi; Lorenz, Bernd; Guloy, Arnold M.; Chu, Ching-Wu","Synthesis, Structure, and Superconductivity in the New-Structure-Type Compound: SrPt6P2.","Inorganic chemistry","2015","54","3","1049","1054","10.1021/ic502377v","","","0.71073","MoKα","","0.0343","0.0318","","","0.0774","0.0786","","","","","","1.223","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342427","25.6471","0.001","25.6471","0.001","25.6471","0.001","90","","90","","90","","16870","1.1","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C624 H1056 N48 O48 P48 Ru24 -","- C624 H1056 N48 O48 P48 Ru24 -","- C624 H1056 N48 O48 P48 Ru24 -","1","0.0416667","","Fogler, Eran; Efremenko, Irena; Gargir, Moti; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","New Ruthenium Nitrosyl Pincer Complexes Bearing an O2 Ligand. Mono-Oxygen Transfer.","Inorganic chemistry","2015","54","5","2253","","10.1021/ic502832j","","","0.71073","MoKα","","0.045","0.0294","","","0.0659","0.0766","","","","","","1.174","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4344141","12.4213","","12.4213","","12.4213","","90","","90","","90","","1916.47","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Mn (S O4)2 (D2 O)12","","- Cs D24 Mn O20 S2 -","- Cs D24 Mn O20 S2 -","- Cs4 D96 Mn4 O80 S8 -","4","0.166667","","Tregenna-Piggott, P.L.W.; Andres, H.P.; Wilson, C.C.; Best, S.P.; McIntyre, G.J.; Cowan, J.A.","Aqua ions. 2. Structural manifestations of the Jahn-Teller effect in the beta-alums","Inorganic Chemistry","2003","42","","1350","1365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344142","12.4091","","12.4091","","12.4091","","90","","90","","90","","1910.82","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Ti (S O4)2 (D2 O)12","","- Cs D24 O20 S2 Ti -","- Cs D24 O20 S2 Ti -","- Cs4 D96 O80 S8 Ti4 -","4","0.166667","","Tregenna-Piggott, P.L.W.; Andres, H.P.; McIntyre, G.J.; Best, S.P.; Wilson, C.C.; Cowan, J.A.","Aqua ions. 2. Structural manifestations of the Jahn-Teller effect in the beta-alums","Inorganic Chemistry","2003","42","","1350","1365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344143","12.341","","12.341","","12.341","","90","","90","","90","","1879.54","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Ga (S O4)2 (D2 O)12","","- Cs D24 Ga O20 S2 -","- Cs D24 Ga O20 S2 -","- Cs4 D96 Ga4 O80 S8 -","4","0.166667","","Tregenna-Piggott, P.L.W.; Andres, H.P.; McIntyre, G.J.; Best, S.P.; Wilson, C.C.; Cowan, J.A.","Aqua ions. 2. Structural manifestations of the Jahn-Teller effect in the beta-alums","Inorganic Chemistry","2003","42","","1350","1365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344144","12.411","","12.411","","12.411","","90","","90","","90","","1911.7","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs V (S O4)2 (D2 O)12","","- Cs D24 O20 S2 V -","- Cs D24 O20 S2 V -","- Cs4 D96 O80 S8 V4 -","4","0.166667","","Tregenna-Piggott, P.L.W.; Andres, H.P.; McIntyre, G.J.; Best, S.P.; Wilson, C.C.; Cowan, J.A.","Aqua ions. 2. Structural manifestations of the Jahn-Teller effect in the beta-alums","Inorganic Chemistry","2003","42","","1350","1365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344315","5.681","","5.681","","5.681","","90","","90","","90","","183.347","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Si P2","","- P2 Si -","- P2 Si -","- P8 Si4 -","4","0.166667","","Chattopadhyay, T.K.; von Schnering, H.G.","Electron density distribution in Si P2 with the pyrite structure","Studies in Inorganic Chemistry","1983","3","","761","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345226","37.8968","0.0003","37.8968","0.0003","37.8968","0.0003","90","","90","","90","","54426.2","0.7","180","","180","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C194 H167 Cl10 Eu4 N27 O91 -","- C194 H167 Cl10 Eu4 N27 O91 -","- C1552 H1336 Cl80 Eu32 N216 O728 -","8","0.333333","","Vuillamy, Alexandra; Zebret, Soumaila; Besnard, Céline; Placide, Virginie; Petoud, Stéphane; Hamacek, Josef","Functionalized Triptycene-Derived Tripodal Ligands: Privileged Formation of Tetranuclear Cage Assemblies with Larger Ln(III)","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02900","","","1.5418","CuKα","","0.1308","0.0909","","","0.2181","0.2487","","","","","","1.082","","","","has coordinates,has disorder","192245","2020-10-21","18:00:00",""
"4345334","28.859","0.002","28.859","0.002","28.859","0.002","90","","90","","90","","24035","3","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C102 H130 B4 N24 S7 Y4 -","- C102 H130 B4 N24 S7 Y4 -","- C816 H1040 B32 N192 S56 Y32 -","8","0.333333","","Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng","Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.","Inorganic chemistry","2017","56","4","2070","2077","10.1021/acs.inorgchem.6b02747","","","0.71073","MoKα","","0.2306","0.0805","","","0.2015","0.281","","","","","","1.173","","","","has coordinates","192893","2020-10-21","18:00:00",""
"4345774","12.5577","0.0009","12.5577","","12.5577","","90","","90","","90","","1980.3","0.14","295","","295","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- B12 Cl12 Na2 -","- B12 Cl12 Na2 -","- B48 Cl48 Na8 -","4","0.166667","","Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H.","Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12).","Inorganic chemistry","2017","56","8","4369","4379","10.1021/acs.inorgchem.6b02920","powder diffraction","neutron","1.5397","","","","","","","","","0.07905","","0.93","","","","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4345775","12.4694","0.0004","12.4694","","12.4694","","90","","90","","90","","1938.82","0.06","5","","5","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- B12 Cl12 Na2 -","- B12 Cl12 Na2 -","- B48 Cl48 Na8 -","4","0.166667","","Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H.","Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12).","Inorganic chemistry","2017","56","8","4369","4379","10.1021/acs.inorgchem.6b02920","powder diffraction","neutron","1.5397","","","","","","","","","0.03309","","1.04","","","","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4346043","26.0483","0.0007","26.0483","0.0007","26.0483","0.0007","90","","90","","90","","17674.1","0.8","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.22(CuCl2)5.22(CH3CN)10.56","","","- C83.76 H65.17 Cl10.44 Cu5.22 N21 O32 Zr6 -","- C83.76 H60.12 Cl10.44 Cu5.22 N21 O32 Zr6 -","- C335.04 H240.48 Cl41.76 Cu20.88 N84 O128 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0428","0.038","","","0.1134","0.1189","","","","","","1.059","","","","has coordinates,has disorder","231591","2020-10-21","18:00:00",""
"4346044","26.255","0.004","26.255","0.004","26.255","0.004","90","","90","","90","","18098","5","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.34(FeBr2)4.20(CH3CN)1.56","","","- C67.2 H40.72 Br8.4 Fe4.2 N12.24 O29.36 Zr6 -","- C67.2 H32.04 Br8.4 Fe4.2 N12.24 O29.36 Zr6 -","- C268.8 H128.16 Br33.6 Fe16.8 N48.96 O117.44 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0742","0.0683","","","0.2029","0.2074","","","","","","1.169","","","","has coordinates,has disorder","231592","2020-10-21","18:00:00",""
"4346045","26.0205","0.0007","26.0205","0.0007","26.0205","0.0007","90","","90","","90","","17617.6","0.8","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.22(Co(CO)4)5.22","","","- C83.52 H40 Cr5.22 N10.44 O52.88 Zr6 -","- C83.52 H31.32 Cr5.22 N10.44 O52.88 Zr6 -","- C334.08 H125.28 Cr20.88 N41.76 O211.52 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.8856","synchrotron","","0.0562","0.0539","","","0.1644","0.1666","","","","","","1.115","","","","has coordinates,has disorder","231593","2020-10-21","18:00:00",""
"4346046","26.149","0.0008","26.149","0.0008","26.149","0.0008","90","","90","","90","","17879.9","0.9","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.88(CuCl)8.34","","","- C70.56 H39.28 Cl8.34 Cu8.34 N11.76 O31.52 Zr6 -","- C70.56 H35.28 Cl8.34 Cu8.34 N11.76 O31.52 Zr6 -","- C282.24 H141.12 Cl33.36 Cu33.36 N47.04 O126.08 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0761","0.0722","","","0.2341","0.2376","","","","","","1.248","","","","has coordinates,has disorder","231594","2020-10-21","18:00:00",""
"4346047","26.0682","0.0019","26.0682","0.0019","26.0682","0.0019","90","","90","","90","","17715","2","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.4(Co(CO)4)4.95(CH3CN)0.88","","","- C86.31 H39.04 Cr4.95 N11.68 O49.38 Zr6 -","- C86.308 H32.364 Cr4.95 N11.678 O49.376 Zr6 -","- C345.232 H129.456 Cr19.8 N46.712 O197.504 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0653","0.056","","","0.1659","0.1736","","","","","","1.088","","","","has coordinates,has disorder","231595","2020-10-21","18:00:00",""
"4346050","26.0729","0.0006","26.0729","0.0006","26.0729","0.0006","90","","90","","90","","17724.3","0.7","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.34(CoCl2)4.56(CH3CN)1.22","","","- C66.52 H39.7 Cl9.12 Co4.56 N11.9 O29.36 Zr6 -","- C66.52 H32.04 Cl9.12 Co4.56 N11.9 O29.36 Zr6 -","- C266.08 H128.16 Cl36.48 Co18.24 N47.6 O117.44 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0664","0.0574","","","0.1904","0.2014","","","","","","1.097","","","","has coordinates,has disorder","231598","2020-10-21","18:00:00",""
"4346051","26.08867","0.0004","26.08867","0.0004","26.08867","0.0004","90","","90","","90","","17756.4","0.5","100","","100","","","","1","","","","synthesis","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)4.91(CuCl2)4.91","","","- C256.48 H117.936 Cl39.312 Cu19.656 N49.616 O112 Zr24 -","- C64.1328 H29.4912 Cl9.8304 Cu4.9152 N12.4064 O32 Zr6 -","- C256.531 H117.965 Cl39.3216 Cu19.6608 N49.6256 O128 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","powder diffraction","x-ray","0.413746","synchrotron","","","","","","","","","","1.42","","","","","","","has coordinates","231599","2020-10-21","18:00:00",""
"4346395","20.9641","0.0006","20.9641","0.0006","20.9641","0.0006","90","","90","","90","","9213.6","0.5","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H108 F18 P15 Re2 -","- C90 H108 F18.04 P15 Re2 -","- C360 H432 F72.16 P60 Re8 -","4","0.166667","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0432","0.0306","","","0.0713","0.0845","","","","","","1.138","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4347496","34.4443","0.0009","34.4443","0.0009","34.4443","0.0009","90","","90","","90","","40865.1","1.8","123","2","123","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C185 H300 N9 Na3 O18 Zr3 -","- C165 H252 N9 Na3 O18 Zr3 -","- C1320 H2016 N72 Na24 O144 Zr24 -","8","0.333333","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.1308","0.0994","","","0.2933","0.321","","","","","","1.105","","","","has coordinates,has disorder","232341","2020-10-21","18:00:00",""
"4348814","27.6602","0.0005","27.6602","0.0005","27.6602","0.0005","90","","90","","90","","21162.5","0.7","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Fe13 cluster capped by 6 bismuth cations and 12 TFA ligands","","","- C24 Bi6 F36 Fe13 O76 -","- C24 Bi6 F36 Fe13 O76 -","- C192 Bi48 F288 Fe104 O608 -","8","0.333333","","Sadeghi, Omid; Falaise, Clément; Molina, Pedro I.; Hufschmid, Ryan; Campana, Charles F.; Noll, Bruce C.; Browning, Nigel D.; Nyman, May","Chemical Stabilization and Electrochemical Destabilization of the Iron Keggin Ion in Water.","Inorganic chemistry","2016","55","21","11078","11088","10.1021/acs.inorgchem.6b01694","","x-ray","1.54184","CuKα","","0.0928","0.0411","","","0.0463","0.053","","","","1.36","1.36","1.16","","","","has coordinates","233389","2020-10-21","18:00:00",""
"4350333","23.0193","0.0018","23.0193","0.0018","23.0193","0.0018","90","","90","","90","","12197.7","1.7","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C82 H90 N8 Ni38 O48 Pt6 -","- C82 H89.94 N8 Ni38 O48 Pt6 -","- C328 H359.76 N32 Ni152 O192 Pt24 -","4","0.166667","","de Silva, Namal; Dahl, Lawrence F.","Aprotic synthesis and structural determination of the nanosized nonprotonated nu3-octahedral [Pt6Ni38(CO)48]6- hexaanion stabilized as a cubic solvated [NMe4]+ salt.","Inorganic chemistry","2006","45","22","8814","8816","10.1021/ic060648y","","","0.71073","MoKα","","0.0363","0.0301","","","0.073","0.0756","","","","","","1.107","","","","has coordinates","239842","2020-10-21","18:00:00",""
"4501101","27.5139","0.0002","27.5139","0.0002","27.5139","0.0002","90","","90","","90","","20828.4","0.3","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H204 Cl6 Co6 N42 O72 -","- C156 H132 Cl6 Co6 N42 O72 -","- C624 H528 Cl24 Co24 N168 O288 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.145","0.0888","","","0.2043","0.2282","","","","","","1.067","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501102","27.4578","0.0003","27.4578","0.0003","27.4578","0.0003","90","","90","","90","","20701.3","0.4","571","2","571","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C157 H151 B6 Cl3 Co6 F24 N42 O21 -","- C157 H133 B6 Cl3 Co6 F24 N42 O21 -","- C628 H532 B24 Cl12 Co24 F96 N168 O84 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.2071","0.1216","","","0.2637","0.3094","","","","","","1.056","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501103","27.689","0.005","27.689","0.005","27.689","0.005","90","0.005","90","0.005","90","0.005","21229","7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C316 H328 Cl24 N84 O102 Zn12 -","- C316 H268 Cl24 N84 O102 Zn12 -","- C632 H536 Cl48 N168 O204 Zn24 -","2","0.0833333","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71069","MoKα","","0.156","0.0589","","","0.1287","0.1411","","","","","","1.006","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501104","27.314","0.0001","27.314","0.0001","27.314","0.0001","90","","90","","90","","20377.7","0.13","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C156 H236 B6 F24 N42 O64 Zn6 -","- C156 H132 B6 F24 N42 O64 Zn6 -","- C624 H528 B24 F96 N168 O256 Zn24 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.1174","0.0678","","","0.1846","0.198","","","","","","0.968","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4502357","18.7167","0.0004","18.7167","0.0004","18.7167","0.0004","90","","90","","90","","6556.7","0.2","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C56 H66 Cl2 Cu6 N14 S6 -","- C56 H66 Cl2 Cu6 N14 S6 -","- C224 H264 Cl8 Cu24 N56 S24 -","4","0.166667","","Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong","A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties","Crystal Growth & Design","2010","10","3","1155","","10.1021/cg901031x","","","0.71073","MoKα","","0.0898","0.0797","","","0.2381","0.2489","","","","","","1.197","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502902","16.693","0.007","16.693","0.007","16.693","0.007","90","","90","","90","","4652","3","200","2","200","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C22 H33 B F4 N3 O -","- C22 H30 B F4 N3 O -","- C176 H240 B8 F32 N24 O8 -","8","0.333333","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71075","MoKα","","0.1016","0.0601","","","0.1788","0.1948","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4503063","10.7328","0.0013","10.7328","0.0013","10.7328","0.0013","90","","90","","90","","1236.3","0.3","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","tetramethylsilane","","- C4 H12 Si -","- C4 H12 Si -","- C32 H96 Si8 -","8","0.333333","","Gajda, Roman; Katrusiak, Andrzej","The Interplay of Molecular Conformation and Crystal Packing in Pressure-Frozen Tetramethylsilane","Crystal Growth & Design","2008","8","1","211","","10.1021/cg070135h","","","0.71073","MoKα","","0.0576","0.0551","","","0.0941","0.0948","","","","","","1.381","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4504314","15.0448","0.0006","15.0448","0.0006","15.0448","0.0006","90","","90","","90","","3405.3","0.2","190","2","190","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C12 H30 N26 O13.98 Zn5 -","- C12 H30 N26 O13.98 Zn5 -","- C48 H120 N104 O55.92 Zn20 -","4","0.166667","","Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.","Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System","Crystal Growth & Design","2007","7","7","1343","","10.1021/cg070295t","","x-ray","0.7749","synchrotron","","0.0491","0.0398","","","0.1015","0.1072","","","","","","1.079","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4505569","31.4338","0.0009","31.4338","0.0009","31.4338","0.0009","90","","90","","90","","31059.2","1.5","100","2","100","2","","","","","","","synthesis as described","5","P a -3","-P 2ac 2ab 3","205","","hexakis(diethylammonium) [dodekakis(mu-pyrazine-2,5-dicarboxylato) -k2N,O:kO')hexaindate(III)]","","- C96 H96 In6 N30 O48 -","- C96 H96 In6 N30 O48 -","- C768 H768 In48 N240 O384 -","8","0.333333","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0802","0.0598","","","0.1611","0.1695","","","","","","0.895","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4509366","17.7907","0.0007","17.7907","0.0007","17.7907","0.0007","90","","90","","90","","5630.9","0.4","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Li2 N20 O12 S -","- C48 H60 Li2 N20 O12 S -","- C192 H240 Li8 N80 O48 S4 -","4","0.166667","","Custelcean, Radu; Remy, Priscilla","Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities","Crystal Growth & Design","2009","9","4","1985","","10.1021/cg801299a","","","0.71073","MoKα","","0.0733","0.0621","","","0.1678","0.1752","","","","","","1.08","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509367","17.9112","0.0005","17.9112","0.0005","17.9112","0.0005","90","","90","","90","","5746.1","0.3","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Li2 N20 O12 Se -","- C48 H60 Li2 N20 O12 Se -","- C192 H240 Li8 N80 O48 Se4 -","4","0.166667","","Custelcean, Radu; Remy, Priscilla","Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities","Crystal Growth & Design","2009","9","4","1985","","10.1021/cg801299a","","","0.71073","MoKα","","0.0975","0.0758","","","0.2216","0.2419","","","","","","1.064","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509368","17.7871","0.0004","17.7871","0.0004","17.7871","0.0004","90","","90","","90","","5627.5","0.2","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Li2 N20 O11 S -","- C48 H60 Li2 N20 O10.98 S -","- C192 H240 Li8 N80 O43.92 S4 -","4","0.166667","","Custelcean, Radu; Remy, Priscilla","Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities","Crystal Growth & Design","2009","9","4","1985","","10.1021/cg801299a","","","0.71073","MoKα","","0.1137","0.0933","","","0.282","0.3035","","","","","","1.103","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509693","15.2475","0.0011","15.2475","0.0011","15.2475","0.0011","90","","90","","90","","3544.8","0.4","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- As6 H20 Mo6 N2 Na2 Ni O36 -","- As6 Mo6 Na2 Ni O38 -","- As24 Mo24 Na8 Ni4 O152 -","4","0.166667","","Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units","Crystal Growth & Design","2009","9","12","5206","","10.1021/cg9006718","","","0.71073","MoKα","","0.0495","0.0403","","","0.1084","0.1139","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509869","17.832","0.004","17.832","0.004","17.832","0.004","90","","90","","90","","5670","2","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 Cl N10 Na O6 -","- C24 H30 Cl N10 Na O6 -","- C192 H240 Cl8 N80 Na8 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0813","0.0689","","","0.1801","0.1914","","","","","","1.072","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509870","18.148","0.002","18.148","0.002","18.148","0.002","90","","90","","90","","5977","1.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 Cl K N10 O6 -","- C24 H30 Cl K N10 O6 -","- C192 H240 Cl8 K8 N80 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0669","0.0556","","","0.1617","0.1695","","","","","","1.076","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509876","18.037","0.006","18.037","0.006","18.037","0.006","90","","90","","90","","5868","3","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 F K N10 O6 -","- C24 H30 F K N10 O6 -","- C192 H240 F8 K8 N80 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1054","0.075","","","0.1486","0.1681","","","","","","1.033","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4510357","24.942","0.003","24.942","0.003","24.942","0.003","90","","90","","90","","15517","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C64 H64 N6 O30 Zn5 -","- C63.96 H57.84 N5.98 O30 Zn5 -","- C255.84 H231.36 N23.92 O120 Zn20 -","4","0.166667","","Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun","A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects","Crystal Growth & Design","2014","14","4","1998","","10.1021/cg500116f","","","0.74999","Synchrotron","","0.0967","0.0709","","","0.2181","0.2343","","","","","","1.059","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4514368","35.835","0.011","35.835","0.011","35.835","0.011","90","","90","","90","","46017","2","230","2","230","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C120 H162 Ag8 F0 N60 O18 S13 -","- C120 H129.96 Ag8 N60 O18.02 S13 -","- C480 H519.84 Ag32 N240 O72.08 S52 -","4","0.166667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2806","0.0985","","","0.2249","0.2409","","","","","","1.072","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"5000115","5.4179","0.0011","5.4179","0.0011","5.4179","0.0011","90","","90","","90","","159","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Iron persulfide","Pyrite","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Brostigen, G; Kjekshus, A","Redetermined crystal structure of Fe S2 (pyrite)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1969","23","","2186","2188","10.3891/acta.chem.scand.23-2186","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"5910007","7.84","","7.84","","7.84","","90","","90","","90","","481.89","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","lead(II) nitrate","","- N2 O6 Pb -","- N2 O6 Pb -","- N8 O24 Pb4 -","4","0.166667","","Wyckoff, R. W. G.","Crystal structure of lead(II) nitrate","Crystals structures, Vol. II","1951","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","205202","2020-10-21","18:00:00",""
"5910010","5.64","","5.64","","5.64","","90","","90","","90","","179.406","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Cobalt sulphide","","- Co S2 -","- Co4 S8 -","- Co4 S8 -","","","","Wyckoff, R. W. G.","Pages 234 & 236 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910014","5.64","","5.64","","5.64","","90","","90","","90","","179.406","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Osmium sulphide","","- Os S2 -","- Os4 S8 -","- Os4 S8 -","","","","Wyckoff, R. W. G.","Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910023","6.42","","6.42","","6.42","","90","","90","","90","","264.609","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Geversite","","- Pt Sb2 -","- Pt4 Sb8 -","- Pt4 Sb8 -","","","","Wyckoff, R. W. G.","Page 238 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","238","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910034","5.93","","5.93","","5.93","","90","","90","","90","","208.528","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Osmium selenide","","- Os Se2 -","- Os4 Se8 -","- Os4 Se8 -","","","","Wyckoff, R. W. G.","Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910039","5.95","","5.95","","5.95","","90","","90","","90","","210.645","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Sperrylite","","- As2 Pt -","- As8 Pt4 -","- As8 Pt4 -","","","","Wyckoff, R. W. G.","Page 238 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","238","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910045","7.6","","7.6","","7.6","","90","","90","","90","","438.976","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Calcium nitrate","","- Ca N2 O6 -","- Ca N2 O6 -","- Ca4 N8 O24 -","4","0.166667","","Wyckoff, R. W. G.","Crystal structure of calcium nitrate","Crystals structures, Vol. II","1951","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","205206","2020-10-21","18:00:00",""
"5910065","8.11","","8.11","","8.11","","90","","90","","90","","533.41","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Barium nitrate","","- Ba N2 O6 -","- Ba N2 O6 -","- Ba4 N8 O24 -","4","0.166667","","Wyckoff, R. W. G.","Crystal structure of barium nitrate","Crystals structures, Vol. II","1951","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","205206","2020-10-21","18:00:00",""
"5910087","5.57","","5.57","","5.57","","90","","90","","90","","172.809","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Rhenium sulphide","","- Rh S2 -","- Rh4 S8 -","- Rh4 S8 -","","","","Wyckoff, R. W. G.","Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910099","10.32","","10.32","","10.32","","90","","90","","90","","1099.1","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Cl4 Zr -","- Cl32 Zr8 -","- Cl32 Zr8 -","","","","Wyckoff, R. W. G.","Page 261 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/","The second edition of Structure of Crystals","1931","","","261","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910106","6.36","","6.36","","6.36","","90","","90","","90","","257.259","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Ruthenium telleride","","- Ru Te2 -","- Ru4 Te8 -","- Ru4 Te8 -","","","","Wyckoff, R. W. G.","Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910111","5.68","","5.68","","5.68","","90","","90","","90","","183.25","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Platinum phosphide","","- P2 Pt -","- P8 Pt4 -","- P8 Pt4 -","","","","Wyckoff, R. W. G.","Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910112","6.43","","6.43","","6.43","","90","","90","","90","","265.848","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Palladium antimony","","- Pd Sb2 -","- Pd4 Sb8 -","- Pd4 Sb8 -","","","","Wyckoff, R. W. G.","Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910116","7.81","","7.81","","7.81","","90","","90","","90","","476.38","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Strontium nitrate","","- N2 O6 Sr -","- N2 O6 Sr -","- N8 O24 Sr4 -","4","0.166667","","Wyckoff, R. W. G.","Crystal structure of strontium nitrate","Crystals structures, Vol. II","1951","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","205206","2020-10-21","18:00:00",""
"5910121","5.95","","5.95","","5.95","","90","","90","","90","","210.645","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Platinum arsenide","","- As2 Pt -","- As8 Pt4 -","- As8 Pt4 -","","","","Wyckoff, R. W. G.","Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910143","6.36","","6.36","","6.36","","90","","90","","90","","257.259","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Osmium telleride","","- Os Te2 -","- Os4 Te8 -","- Os4 Te8 -","","","","Wyckoff, R. W. G.","Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910160","7.46","","7.46","","7.46","","90","","90","","90","","415.161","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Si -","- O584 P64 Si4 -","- O584 P64 Si4 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910164","7.89","","7.89","","7.89","","90","","90","","90","","491.169","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Sn -","- O584 P64 Sn4 -","- O584 P64 Sn4 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910253","7.52","","7.52","","7.52","","90","","90","","90","","425.259","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Ge O7 P2 -","- Ge4 O584 P64 -","- Ge4 O584 P64 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910269","8.721","","8.721","","8.721","","90","","90","","90","","663.283","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Th -","- O584 P64 Th4 -","- O584 P64 Th4 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910283","8.18","","8.18","","8.18","","90","","90","","90","","547.343","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Hf O7 P2 -","- Hf4 O584 P64 -","- Hf4 O584 P64 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910294","8.56","","8.56","","8.56","","90","","90","","90","","627.222","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Pu -","- O584 P64 Pu4 -","- O584 P64 Pu4 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910342","8.338","","8.338","","8.338","","90","","90","","90","","579.676","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Ce O7 P2 -","- Ce4 O584 P64 -","- Ce4 O584 P64 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000197","12.7876","0.0001","12.7876","0.0001","12.7876","0.0001","90","","90","","90","","2091.06","0.03","260","","260","","","","","","","","","3","P a -3","-P 2ac 2ab 3","","","","","- C13 H36 Si4 -","- C19 Si4 -","- C76 Si16 -","4","0.166667","SE0261","Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander","Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~","Acta Crystallographica Section B","1999","55","6","1014","1029","10.1107/S0108768199006126","","","0.82488","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176292","2020-10-21","18:00:00",""
"6000708","12.5702","0.0007","12.5702","0.0007","12.5702","0.0007","90","","90","","90","","1986.2","0.3","","","295","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Ce H12 Mg N6 O24 -","- Ce Mg N6 O24 -","- Ce4 Mg4 N24 O96 -","4","0.166667","","Guillou, N.; Louer, M.; Auffredic, J.-P.; Louer, D.","Structures and thermal-behavior of Ce(IV) magnesium-nitrate hydrates","European Journal of Solid State and Inorganic Chemistry","1995","32","","35","47","","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","0.067","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"7001000","20.9914","0.0003","20.9914","0.0003","20.9914","0.0003","90","","90","","90","","9249.6","0.2","150","","150","","","","","","","","Ross Inglis, RI898","6","P a -3","-P 2ac 2ab 3","205","","","","- C50.5 H38.5 Cl Mn3 N6.5 O11 -","- C48 H36 Cl0.999 Mn3 N6 O10.998 -","- C384 H288 Cl7.992 Mn24 N48 O87.984 -","8","0.333333","","Milios, Constantinos J.; Inglis, Ross; Jones, Leigh F.; Prescimone, Alessandro; Parsons, Simon; Wernsdorfer, Wolfgang; Brechin, Euan K.","Constructing clusters with enhanced magnetic properties by assembling and distorting Mn3 building blocks","Dalton Transactions","2009","","15","2812","2822","10.1039/b820362h","","","0.71073","MoKα","","0.0806","0.0349","","0.1337","0.0871","0.1337","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002651","14.8438","0.0003","14.8438","0.0003","14.8438","0.0003","90","","90","","90","","3270.66","0.11","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C12 H18 Cl N6 O3 Re -","- C12 H18 Cl N6 O3 Re -","- C96 H144 Cl8 N48 O24 Re8 -","8","0.333333","","Flores-Figueroa, Aarón; Kaufhold, Oliver; Feldmann, Kai-Oliver; Hahn, F. Ekkehardt","Synthesis of NHC complexes by template controlled cyclization of β-functionalized isocyanides","Dalton Transactions","2009","","42","9334","9342","10.1039/b915033a","","","0.71073","MoKα","","0.0185","0.0155","","","0.0347","0.0356","","","","","","1.13","","","","has coordinates","209617","2020-10-21","18:00:00",""
"7002656","15.467","0.003","15.467","0.003","15.467","0.003","90","","90","","90","","3700.1","1.2","173","2","173","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","Tris(trimethylsilyl)silylchloride","Tris(trimethylsilyl)silylchloride","","- C9 H27 Cl Si4 -","- C9 H27 Cl Si4 -","- C72 H216 Cl8 Si32 -","8","0.333333","","Kuzora, René; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Hypersilylated cyclodiphosphadiazanes and cyclodiphosphadiazenium salts","Dalton Transactions","2009","","42","9304","","10.1039/b911326f","","","0.71073","MoKα","","0.0559","0.0349","","","0.0847","0.0903","","","","","","1.026","","","","has coordinates","179730","2020-10-21","18:00:00",""
"7004780","21.247","0.003","21.247","0.003","21.247","0.003","90","","90","","90","","9592","2","150","0.2","150","0.2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Thorium-1,3-adamantanediacetate oxyfluoride mononitrate","Thorium-1,3-adamantanediacetate oxyfluoride mononitrate","","- C42 H54 F5 N O15 Th3 -","- C42 H54 F5.189 N O15 Th3 -","- C336 H432 F41.512 N8 O120 Th24 -","8","0.333333","","Ok, Kang Min; O'Hare, Dermot","Synthesis, structure, and characterization of a new thorium‒organic framework material, Th3F5[(C10H14)(CH2CO2)2]3(NO3)","Dalton Transactions","2008","","41","5560","5562","10.1039/b812629a","","","0.71073","MoKα","","0.1249","0.0478","","","0.0894","0.111","","","","","","0.952","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7006077","14.1964","0.001","14.1964","0.001","14.1964","0.001","90","","90","","90","","2861.1","0.3","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Bis(triethylselenonium) hexaiodozirconate(IV)","","- C12 H30 I6 Se2 Zr -","- C12 H30 I6 Se2 Zr -","- C48 H120 I24 Se8 Zr4 -","4","0.166667","","Reid, Stuart D.; Hector, Andrew L.; Levason, William; Reid, Gillian; Waller, Benjamin J.; Webster, Michael","Thio- and seleno-ether complexes with Group 4 tetrahalides and tin tetrachloride: preparation and use in CVD for metal chalcogenide films.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4769","4777","10.1039/b708809d","","","0.71073","MoKα","","0.0608","0.0435","","","0.1181","0.134","","","","","","1.082","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006698","24.2097","0.0003","24.2097","0.0003","24.2097","0.0003","90","","90","","90","","14189.5","0.3","173","2","173","2","","","","","","","synthesis as described","7","P a -3","-P 2ac 2ab 3","205","","","","- C64 H110 Cl Li N6 O4 Zn3 -","- C64.02 H110.04 Cl Li N6 O4 Zn3 -","- C512.16 H880.32 Cl8 Li8 N48 O32 Zn24 -","8","0.333333","","Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong","Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1181","1187","10.1039/b513196k","","x-ray","0.71073","MoKα","","0.0783","0.0585","","","0.1631","0.1798","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006752","20.827","0.002","20.827","0.002","20.827","0.002","90","","90","","90","","9034","1.5","98","2","98","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C64 H96 N26 Ni3 O9 -","- C63.96 H84 N25.98 Ni3 O9.02 -","- C255.84 H336 N103.92 Ni12 O36.08 -","4","0.166667","","Yamada, Susumu; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki","Self-assembled meso-helicates of linear trinuclear nickel(II)-radical complexes with triple pyrazolate bridges.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1622","1626","10.1039/b513618k","","","0.71073","MoKα","","0.081","0.0742","","","0.2531","0.2622","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7009647","28.0474","0.0006","28.0474","0.0006","28.0474","0.0006","90","","90","","90","","22063.7","0.8","220","2","220","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C120 H234 Cu18 I27 N6 O54 Rb9 -","- C120 H234 Cu18 I27 N6 O54 Rb9 -","- C480 H936 Cu72 I108 N24 O216 Rb36 -","4","0.166667","","Rusanova, Julia A.; Domasevitch, Konstantin V.; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Rusanov, Eduard B.; Nedelko, Sergey G.; Chukova, Oksana V.; Ahrens, Birte; Raithby, Paul R.","New luminescent copper(I) halide complexes containing Rb+ complexes of 18-crown-6 as counter ions prepared from zerovalent copper","Journal of the Chemical Society, Dalton Transactions","2000","","13","2175","","10.1039/b002451l","","","0.71073","MoKα","","0.1292","0.0676","","","0.1753","0.2078","","","","","","1.029","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7012155","19.818","0.0003","19.818","0.0003","19.818","0.0003","90","","90","","90","","7783.6","0.2","170","2","170","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 H30 F21 O6 Sb -","- C30 H30 F21 O6 Sb -","- C240 H240 F168 O48 Sb8 -","8","0.333333","","Horley, Graeme A.; Mahon, Mary F.; Mazhar, Muhammed; Molloy, Kieran C.; Haycock, Peter W.; Myers, Christopher P.","Antimony ??-diketonates and alkoxide/??-diketonates: remarkable formation of a 3,4-dihydro-2H-pyran ring by coupling of 1,1,1,5,5,5-hexafluoro-2,4-pentanedione ligands","Journal of the Chemical Society, Dalton Transactions","2002","","23","4416","","10.1039/b208110e","","","0.71069","MoKα","","0.0646","0.0452","","","0.1046","0.1151","","","","","","1.018","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012819","20.7127","0.0003","20.7127","0.0003","20.7127","0.0003","90","","90","","90","","8886.1","0.2","150","","150","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C57 H42 Ge Na O3 -","- C57 H42 Ge Na O3 -","- C456 H336 Ge8 Na8 O24 -","8","0.333333","","Weinert, Charles S.; Fanwick, Phillip E.; Rothwell, Ian P.","Synthesis and structures of the group 1 metal/germanium cage complexes [M(µ-OC6H3Ph2-2,6)3Ge] (M = Li, Na, K, Rb, Cs); periodic trends and alkali metal dependent arene bonding","Dalton Transactions","2003","","9","1795","","10.1039/b301623d","","","0.71073","MO-Kα","","","0.046","","","","0.113","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013974","21.075","0.004","21.075","0.004","21.075","0.004","90","","90","","90","","9361","3","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C51 H52 B Cu N6 P2 -","- C51 H52 B Cu N6 P2 -","- C408 H416 B8 Cu8 N48 P16 -","8","0.333333","","Gioia Lobbia, Giancarlo; Hanna, John V.; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Gold derivatives of scorpionates: comparison with the other coinage metal poly(pyrazolyl)borate analogues.","Dalton transactions (Cambridge, England : 2003)","2004","","6","951","958","10.1039/b316815h","","","0.71073","MoKα","","0.168","0.097","","0.198","","0.158","","","1.039","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014814","27.5792","0.0009","27.5792","0.0009","27.5792","0.0009","90","","90","","90","","20977.1","1.2","90","","90","","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C66 H145 N6 O37 P S4 Si4 W9 -","- C65.98 H135 N6 O37 P S3.99 Si4 W9 -","- C527.84 H1080 N48 O296 P8 S31.92 Si32 W72 -","8","0.333333","","Aoki, Shotaro; Kurashina, Takayuki; Kasahara, Yuhki; Nishijima, Tadashi; Nomiya, Kenji","Polyoxometalate (POM)-based, multi-functional, inorganic-organic, hybrid compounds: syntheses and molecular structures of silanol- and/or siloxane bond-containing species grafted on mono- and tri-lacunary Keggin POMs.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1243","1253","10.1039/c0dt01185a","","","0.71073","MoKα","","0.0331","0.0277","","","0.0701","0.0735","","","","","","1.177","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7015143","19.1532","0.0002","19.1532","0.0002","19.1532","0.0002","90","","90","","90","","7026.26","0.13","213","1","213","1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- Ag2 F60 O16 S2 Sb2 Se6 Te12 -","- Ag2 F60 O15.96 S2 Sb2 Se6 Te12 -","- Ag8 F240 O63.84 S8 Sb8 Se24 Te48 -","4","0.166667","","Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping","Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5865","5880","10.1039/c0dt01251c","","x-ray","0.71073","MoKα","","0.0673","0.0502","","","0.0802","0.0852","","","","","","1.181","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015567","24.4761","0.0011","24.4761","0.0011","24.4761","0.0011","90","","90","","90","","14663.1","1.1","180","2","180","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C49 H48 Gd3 N9 O39.5 S3.5 -","- C49.02 H48 Gd3 N9 O39.51 S3.51 -","- C392.16 H384 Gd24 N72 O316.08 S28.08 -","8","0.333333","","Zebret, Soumaila; Torres, Elena; Terreno, Enzo; Guénée, Laure; Senatore, Carmine; Hamacek, Josef","Structure, stability and relaxivity of trinuclear triangular complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4284","4290","10.1039/c0dt01739f","","","0.71069","MoKα","","0.054","0.0444","","","0.1261","0.1314","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018957","28.0546","0.0004","28.0546","0.0004","28.0546","0.0004","90","","90","","90","","22080.7","0.5","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C119.5 H89.5 Co10 N14.5 O26.5 -","- C112 H72 Co10 N12 O24 -","- C896 H576 Co80 N96 O192 -","8","0.333333","","Wang, Lei; Li, Yi; Peng, Yu; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren","A novel decanuclear Co(ii) cluster with adamantane-like metallic skeleton supported by 8-hydroxyquinoline and in situ formed CO32− anions","Dalton Transactions","2012","41","20","6242","","10.1039/c2dt30102d","","","0.71073","MoKα","","0.1864","0.0575","","","0.1205","0.1391","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019143","19.2239","0.0012","19.2239","0.0012","19.2239","0.0012","90","","90","","90","","7104.4","0.8","273","2","273","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C78 H90 Li6 O12 -","- C78 H90 Li6 O12 -","- C312 H360 Li24 O48 -","4","0.166667","","Nakajima, Hideto; Yasuda, Makoto; Baba, Akio","Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6602","6606","10.1039/c2dt30266g","","","0.71075","MoKα","","0.1398","0.1069","","","0.2622","0.2869","","","","","","1.048","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019144","19.5449","0.0006","19.5449","0.0006","19.5449","0.0006","90","","90","","90","","7466.2","0.4","273","2","273","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C84 H102 Li6 O12 -","- C84 H102 Li6 O12 -","- C336 H408 Li24 O48 -","4","0.166667","","Nakajima, Hideto; Yasuda, Makoto; Baba, Akio","Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6602","6606","10.1039/c2dt30266g","","","0.71075","MoKα","","0.0965","0.0845","","","0.2544","0.2687","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020203","12.513","0.003","12.513","0.003","12.513","0.003","90","","90","","90","","1959.2","0.8","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","bis(trimethylselenonium) hexachlorotellurate(IV)","","- C6 H18 Cl6 Se2 Te -","- C6 H18 Cl6 Se2 Te -","- C24 H72 Cl24 Se8 Te4 -","4","0.166667","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.1077","0.0594","","","0.0971","0.1125","","","","","","1.159","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7021294","29.022","0.006","29.022","0.006","29.022","0.006","90","","90","","90","","24445","9","100","2","100","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C80 H180 Ag56 S33 -","- C80 H180 Ag56 S33 -","- C320 H720 Ag224 S132 -","4","0.166667","","Sun, Di; Wang, Hua; Lu, Hai-Feng; Feng, Sheng-Yu; Zhang, Zhen-Wei; Sun, Guo-Xin; Sun, Dao-Feng","Two birds with one stone: anion templated ball-shaped Ag56 and disc-like Ag20 clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6281","6284","10.1039/c3dt50342a","","","0.71073","MOKα","","0.1056","0.0829","","","0.2422","0.2648","","","","","","1.069","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021658","19.722","0.005","19.722","0.005","19.722","0.005","90","","90","0.006","90","","7671","3","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C24 H12 In3 O16 -","- C24 H12 In3 O16 -","- C192 H96 In24 O128 -","8","0.333333","","Ji, Wenbin; Hu, Hailiang; Zhang, Weisong; Huang, Hui; He, Xiaodie; Han, Xiao; Zhao, Fangfang; Liu, Yang; Kang, Zhenhui","Indium(iii)-dicarboxylic microporous frameworks with high adsorption selectivity for CO2 over N2.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10690","10693","10.1039/c3dt50822f","","","0.71073","MoKα","","0.1341","0.0666","","","0.143","0.1744","","","","","","0.943","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7022369","39.484","0.0016","39.484","0.0016","39.484","0.0016","90","","90","","90","","61555","4","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C34 H20 Cu2 N2 O10 -","- C34 H16 Cu2 N2 O10 -","- C816 H384 Cu48 N48 O240 -","24","1","","Lu, Weigang; Yuan, Daqiang; Makal, Trevor A.; Wei, Zhangwen; Li, Jian-Rong; Zhou, Hong-Cai","Highly porous metal-organic framework sustained with 12-connected nanoscopic octahedra.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1708","1714","10.1039/c2dt32479b","","","0.41328","synchrotron","","0.1382","0.1125","","","0.2983","0.3161","","","","","","1.236","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7023196","24.1615","0.0002","24.1615","0.0002","24.1615","0.0002","90","","90","","90","","14105","0.2","296","2","293","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C54 H108 Fe N9 O0.42 S6 -","- C54 H108 Fe N9 O0.42 S6 -","- C432 H864 Fe8 N72 O3.36 S48 -","8","0.333333","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.0448","0.0292","","0.0547","0.0322","0.0322","","","","","","1.0007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025922","20.4997","0.0002","20.4997","0.0002","20.4997","0.0002","90","","90","","90","","8614.75","0.15","123","2","123","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C66 H96 Mn7 N14 O30 -","- C66 H96 Mn7 N14 O30 -","- C264 H384 Mn28 N56 O120 -","4","0.166667","","Langley, Stuart K.; Chilton, Nicholas F.; Massi, Massimiliano; Moubaraki, Boujemaa; Berry, Kevin J.; Murray, Keith S.","Synthesis and characterization of homo- and heterovalent tetra- hexa- hepta- and decanuclear manganese clusters using pyridyl functionalized beta-diketone, carboxylate and triethanolamine ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7236","7249","10.1039/c0dt00054j","","","0.71073","MoKα","","0.0947","0.0642","","","0.1748","0.2034","","","","","","1.049","","","","has coordinates,has disorder","179965","2020-10-21","18:00:00",""
"7026930","23.8313","0.0009","23.8313","0.0009","23.8313","0.0009","90","","90","","90","","13534.5","0.9","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C48 H75 B3 Cu6 F12 N12 O15 -","- C48 H61 B3 Cu6 F12 N12 O15 -","- C384 H488 B24 Cu48 F96 N96 O120 -","8","0.333333","","Karmakar, Sibasree; Das, Oindrila; Ghosh, Subhamoy; Zangrando, Ennio; Johann, Mara; Rentschler, Eva; Weyhermüller, Thomas; Khanra, Sumit; Paine, Tapan Kanti","Hexanuclear copper(II) cage with {Cu3O···H···OCu3} core supported by a dicompartmental oxime ligand with m-xylyl spacer: synthesis, molecular structure and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10920","10927","10.1039/c0dt00951b","","","0.71073","MoKα","","0.056","0.0455","","","0.1233","0.1346","","","","","","1.063","","","","has coordinates,has disorder","179975","2020-10-21","18:00:00",""
"7026931","23.96","0.004","23.96","0.004","23.96","0.004","90","","90","","90","","13755","4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H75 Cl3 Cu6 N12 O27 -","- C48 H61 Cl3 Cu6 N12 O27 -","- C384 H488 Cl24 Cu48 N96 O216 -","8","0.333333","","Karmakar, Sibasree; Das, Oindrila; Ghosh, Subhamoy; Zangrando, Ennio; Johann, Mara; Rentschler, Eva; Weyhermüller, Thomas; Khanra, Sumit; Paine, Tapan Kanti","Hexanuclear copper(II) cage with {Cu3O···H···OCu3} core supported by a dicompartmental oxime ligand with m-xylyl spacer: synthesis, molecular structure and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10920","10927","10.1039/c0dt00951b","","","0.71073","MoKα","","0.0715","0.0584","","","0.1783","0.1882","","","","","","1.042","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027112","14.871","0.004","14.871","0.004","14.871","0.004","90","","90","","90","","3288.7","1.5","295","2","295","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C14 H28 Cd3 N12 O S6 -","- C14.004 Cd0.833 N12 O0.167 S6 -","- C56.016 Cd3.332 N48 O0.668 S24 -","4","0.166667","","Mondal, Arunendu; Mostafa, Golam; Ghosh, Ashutosh; Laskar, Inamur Rahaman; Chaudhuri, Nirmalendu Ray","Construction of a unique three-dimensional array with cadmium(II) †","Journal of the Chemical Society, Dalton Transactions","1999","","1","9","","10.1039/a806999i","","","0.71073","MoKα","","0.0447","0.036","","0.0923","0.0874","","","","1.132","1.182","1.182","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027495","28.2558","0.0001","28.2558","0.0001","28.2558","0.0001","90","","90","","90","","22559.2","0.14","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Compound 3","","- C108 H216 Cs9 Cu24 I33 O54 -","- C108 H216 Cs9 Cu24 I32.98 O54 -","- C432 H864 Cs36 Cu96 I131.92 O216 -","4","0.166667","","Domasevitch, Konstantin V.; Rusanova, Julia A.; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Squattrito, Philip J.; Sieler, Joachim; Raithby, Paul R.","Extended multidecker sandwich architecture of Cs±-18-crown-6 complexes stabilized in the environment of novel large iodocuprate(I) clusters obtained from zerovalent copper","Journal of the Chemical Society, Dalton Transactions","1999","","17","3087","","10.1039/a903225h","","","0.71073","MoKα","","0.1196","0.096","","0.2469","0.1974","","","","1.148","1.21","1.21","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027858","23.981","0.004","23.981","0.005","23.981","0.005","90","","90","","90","","13791","5","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C58 H61 Cl4 N18 O22.5 Zn3 -","- C58 H54 Cl4 N18 O22.5 Zn3 -","- C464 H432 Cl32 N144 O180 Zn24 -","8","0.333333","","Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.","Synthesis and co-ordination chemistry of the tetradentate chelating ligand 1,3-bis[3-(2-pyridyl)pyrazol-1-yl]propane: crystal structures of complexes with FeII, CuII, ZnII, AgI and PbII","Journal of the Chemical Society, Dalton Transactions","1998","","18","3029","","10.1039/a804501a","","","0.71073","MoKα","","0.0903","0.0592","","0.1414","0.1193","","","","1.088","1.096","1.096","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028153","24.1347","0.0012","24.1347","0.0012","24.1347","0.0012","90","","90","","90","","14058.1","1.2","223","2","223","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C63.6 H103.2 Cl1.2 O10.5 P3 Ru3 -","- C63.6 H99 Cl1.2 O10.5 P3 Ru3 -","- C508.8 H792 Cl9.6 O84 P24 Ru24 -","8","0.333333","","Süss-Fink, Georg; Godefroy, Isabelle; Ferrand, Vincent; Neels, Antonia; Stoeckli-Evans, Helen","Saturated and unsaturated triruthenium clusters containing three sterically demanding phosphine ligands: synthesis and structure of [Ru3(CO)9(PCy3)3] and [Ru3H2(CO)6(PCy3)3]","Journal of the Chemical Society, Dalton Transactions","1998","","4","515","","10.1039/a708037i","","","0.71073","MoKα","","0.0837","0.0577","","","0.1346","0.1536","","","","","","1.194","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028186","22.759","0.006","22.759","0.006","22.759","0.006","90","","90","","90","","11789","5","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C24 H49 Mo N18 O0.5 S16 W3 -","- C24 H48 Mo0.9994 N18 O0.51 S16 W3.0006 -","- C192 H384 Mo7.9952 N144 O4.08 S128 W24.0048 -","8","0.333333","","McLean, Iain J.; Hernandez-Molina, Rita; Sokolov, Maxim N.; Seo, Mi-Sook; Virovets, Alexander V.; Elsegood, Mark R. J.; Clegg, William; Sykes, A. Geoffrey","Preparation, structure and properties of three [MoxW4−xS4(H2O)12]5+ (x = 1‒3) and [MoW3Se4(H2O)12]5+ cuboidal complexes alongside [Mo4S4(H2O)12]5+ and [Mo4Se4(H2O)12]5+","Journal of the Chemical Society, Dalton Transactions","1998","","15","2557","","10.1039/a803396j","","","0.71069","MoKα","","0.181","0.0351","","0.0646","0.0523","","","","0.606","0.963","0.963","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028444","18.5823","0.0018","18.5823","0.0018","18.5823","0.0018","90","","90","","90","","6416.5","1.1","100","1","100","1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C22 H48 Cl4 N6 Ni -","- C22 H48 Cl4 N6 Ni -","- C176 H384 Cl32 N48 Ni8 -","8","0.333333","","Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2907","2914","10.1039/c3dt53261e","","","0.71073","MoKα","","0.0534","0.0296","","","0.0665","0.0813","","","","","","1.137","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7029138","20.3608","0.0013","20.3608","0.0013","20.3608","0.0013","90","","90","","90","","8440.8","0.9","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C13 H18 Fe I P -","- C13 H18 Fe I P -","- C312 H432 Fe24 I24 P24 -","24","1","","Kübler, Paul; Sundermeyer, Jörg","Ferrocenyl-phosphonium ionic liquids - synthesis, characterisation and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3750","3766","10.1039/c3dt53402b","","","0.71073","MoKα","","0.1088","0.0297","","","0.032","0.0418","","","","","","0.475","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029497","17.542","0.005","17.542","0.005","17.542","0.005","90","","90","","90","","5398","3","200","","200","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","C30 H42 Cd Cl2 N12 O18.50","","- C30 H42 Cd Cl2 N12 O18.5 -","- C30 H24 Cd Cl2.004 N12 O18.5036 -","- C120 H96 Cd4 Cl8.016 N48 O74.0144 -","4","0.166667","","Chen, Shui-Sheng; Wang, Peng; Takamizawa, Satoshi; Okamura, Taka-Aki; Chen, Min; Sun, Wei-Yin","Zinc(ii) and cadmium(ii) metal-organic frameworks with 4-imidazole containing tripodal ligand: sorption and anion exchange properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6012","6020","10.1039/c3dt53388c","","","0.71075","MoKα","","0.101","0.0705","","","0.1981","0.2183","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030156","16.563","0.002","16.563","0.002","16.563","0.002","90","","90","","90","","4543.8","1","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zn(en)3[Ga2Ge4O12]","","","- C2 H8 Ga0.67 Ge1.33 N2 O4 Zn0.33 -","- C2 H8 Ga0.66 Ge1.34 N2 O4 Zn0.333333 -","- C48 H192 Ga15.84 Ge32.16 N48 O96 Zn8 -","24","1","","Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12170","12174","10.1039/c2dt31185b","","","0.71073","MoKα","","0.0624","0.0493","","","0.125","0.1291","","","","","","1","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030157","16.5903","0.0005","16.5903","0.0005","16.5903","0.0005","90","","90","","90","","4566.3","0.2","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Co(en)3[Ga2Ge4O12]","","","- C2 H8 Co0.33 Ga0.67 Ge1.33 N2 O4 -","- C2 H8 Co0.333333 Ga0.66 Ge1.34 N2 O4 -","- C48 H192 Co8 Ga15.84 Ge32.16 N48 O96 -","24","1","","Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12170","12174","10.1039/c2dt31185b","","","0.71073","MoKα","","0.0405","0.0326","","","0.1162","0.1227","","","","","","0.998","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030158","16.477","0.0002","16.477","0.0002","16.477","0.0002","90","","90","","90","","4473.37","0.09","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Co(en)3[Al2Ge4O12]","","","- C6 H24 Al2 Co Ge4 N6 O12 -","- C6 H24 Al1.98 Co Ge4.02 N6 O12 -","- C48 H192 Al15.84 Co8 Ge32.16 N48 O96 -","8","0.333333","","Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12170","12174","10.1039/c2dt31185b","","","0.71073","MoKα","","0.0366","0.0324","","","0.0837","0.0859","","","","","","1.017","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030159","16.4433","0.0002","16.4433","0.0002","16.4433","0.0002","90","","90","","90","","4445.97","0.09","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Ni(en)3[Al2Ge4O12]","","","- C2 H8 Al0.67 Ge1.33 N2 Ni0.33 O4 -","- C2 H8 Al0.66 Ge1.34 N2 Ni0.333333 O4 -","- C48 H192 Al15.84 Ge32.16 N48 Ni8 O96 -","24","1","","Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12170","12174","10.1039/c2dt31185b","","","0.71073","MoKα","","0.0366","0.0299","","","0.0882","0.0919","","","","","","1.032","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7033080","12.8373","0.0002","12.8373","0.0002","12.8373","0.0002","90","","90","","90","","2115.54","0.06","293.15","","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ba Mn9 O26 V6 -","- Ba Mn9 O26 V6 -","- Ba4 Mn36 O104 V24 -","4","0.166667","","Guo, Wenbin; He, Zhangzhen; Tang, Yingying; Zhang, Suyun; Yang, Ming; Cheng, Wendan","BaMn9(II)(VO4)6(OH)2: a homospin ferrimagnet with a broken spinel-lattice of B-sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6363","6367","10.1039/c4dt02930e","","","0.71073","MoKα","","0.0273","0.0273","","","0.0758","0.0759","","","","","","1.326","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033396","20.077","0.0002","20.077","0.0002","20.077","0.0002","90","","90","","90","","8092.76","0.14","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C12 H6 N6 O7 Zn3 -","- C12 H6 N6 O7 Zn3 -","- C96 H48 N48 O56 Zn24 -","8","0.333333","","Fu, Hong-Ru; Wang, Fei; Zhang, Jian","A stable zinc-4-carboxypyrazole framework with high uptake and selectivity of light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2893","2896","10.1039/c4dt03594a","","","0.71073","MoKα","","0.0976","0.0733","","","0.2459","0.2617","","","","","","1.115","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033526","28.1201","0.0004","28.1201","0.0004","28.1201","0.0004","90","","90","","90","","22235.7","0.5","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C121 H94 Co10 N15 O27.5 -","- C121 H93 Co10 N15 O27.5 -","- C968 H744 Co80 N120 O220 -","8","0.333333","","Khakhlary, Prithiviraj; E Anson, Christopher; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structural and magnetic properties of oxyquinolinate clusters of cobalt(ii) and manganese(ii) and serendipitous intake of carbonate during synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2964","2969","10.1039/c4dt02999b","","","0.71073","MoKα","","0.1348","0.0679","","","0.1378","0.1783","","","","","","1.067","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033527","28.2948","0.0003","28.2948","0.0003","28.2948","0.0003","90","","90","","90","","22652.7","0.4","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C121 H94 Mn10 N15 O27.5 -","- C121 H93 Mn10 N15 O27.5 -","- C968 H744 Mn80 N120 O220 -","8","0.333333","","Khakhlary, Prithiviraj; E Anson, Christopher; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structural and magnetic properties of oxyquinolinate clusters of cobalt(ii) and manganese(ii) and serendipitous intake of carbonate during synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2964","2969","10.1039/c4dt02999b","","","0.71073","MoKα","","0.1927","0.0844","","","0.1901","0.2663","","","","","","1.025","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7034073","19.7299","0.0009","19.7299","0.0009","19.7299","0.0009","90","","90","","90","","7680.2","0.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","(Ar[t-Bu]N)3Ti(O-n-Bu)","","","- C40 H63 N3 O Ti -","- C40.008 H63.018 N3 O Ti0.33 -","- C320.064 H504.144 N24 O8 Ti2.64 -","8","0.333333","","Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C.","The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6784","6796","10.1039/c5dt00105f","","","0.71073","MoKα","","0.0714","0.0532","","","0.1402","0.1626","","","","","","1.076","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7035626","14.2502","","14.2502","","14.2502","","90","","90","","90","","2893.76","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Na Mg (P O3)3","","- Mg Na O9 P3 -","- Mg Na O9 P3 -","- Mg16 Na16 O144 P48 -","16","0.666667","","Abrahams, I.; Ahmed, A.; Groombridge, C. J.; Hawkes, G. E.; Nunes, T. G.","Cation distribution in cubic Na M (P O3)3 (M = Mg or Zn) using X-ray powder diffraction and solid state NMR","Journal of the Chemical Society. Dalton Transactions (2000- )","2000","2000","","155","160","10.1039/A906413C","","","","","","","","","","","","","","","","","","","","","has coordinates","186066","2020-10-21","18:00:00",""
"7035627","14.2581","","14.2581","","14.2581","","90","","90","","90","","2898.58","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Na Zn (P O3)3","","- Na O9 P3 Zn -","- Na O9 P3 Zn -","- Na16 O144 P48 Zn16 -","16","0.666667","","Abrahams, I.; Ahmed, A.; Groombridge, C. J.; Hawkes, G. E.; Nunes, T. G.","Cation distribution in cubic Na M (P O3)3 (M = Mg or Zn) using X-ray powder diffraction and solid state NMR","Journal of the Chemical Society. Dalton Transactions (2000- )","2000","2000","","155","160","10.1039/A906413C","","","","","","","","","","","","","","","","","","","","","has coordinates","186066","2020-10-21","18:00:00",""
"7037073","24.088","0.0001","24.088","0.0001","24.088","0.0001","90","","90","","90","","13976.6","0.1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C48 H93 Fe8 N13 O27 -","- C48 H93 Fe8 N13 O27 -","- C384 H744 Fe64 N104 O216 -","8","0.333333","","Botezat, Olga; van Leusen, Jan; Ch Kravtsov, Victor; Ellern, Arkady; Kögerler, Paul; Baca, Svetlana G.","Iron(iii) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe8 cores: approaching reasonable exchange energies.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20753","20762","10.1039/c5dt03024b","","","0.71073","MoKα","","0.0533","0.0355","","","0.09","0.1","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037689","29.881","0.005","29.881","0.005","29.881","0.005","90","0.005","90","0.005","90","0.005","26680","8","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H156 Er4 N18 O49 -","- C57 H44.9998 Er4 N3 O20 -","- C456 H359.998 Er32 N24 O160 -","8","0.333333","","Cui, Pei-Pei; Zhang, Xiu-Du; Zhao, Yue; Fu, Ai-Yun; Sun, Wei-Yin","Synthesis, structure and adsorption properties of lanthanide-organic frameworks with pyridine-3,5-bis(phenyl-4-carboxylate).","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2591","2597","10.1039/c5dt03091a","","","0.71069","MoKα","","0.04","0.033","","","0.093","0.0951","","","","","","1.084","","","","has coordinates","177810","2020-10-21","18:00:00",""
"7037690","29.311","0.005","29.311","0.005","29.311","0.005","90","0.005","90","0.005","90","0.005","25182","7","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C93 H149 N17 O48 Yb4 -","- C57 H44.9998 N3 O20 Yb4 -","- C456 H359.998 N24 O160 Yb32 -","8","0.333333","","Cui, Pei-Pei; Zhang, Xiu-Du; Zhao, Yue; Fu, Ai-Yun; Sun, Wei-Yin","Synthesis, structure and adsorption properties of lanthanide-organic frameworks with pyridine-3,5-bis(phenyl-4-carboxylate).","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2591","2597","10.1039/c5dt03091a","","","0.71069","MoKα","","0.1248","0.0862","","","0.1918","0.212","","","","","","1.073","","","","has coordinates","177810","2020-10-21","18:00:00",""
"7037691","29.394","0.005","29.394","0.005","29.394","0.005","90","0.005","90","0.005","90","0.005","25397","7","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C93 H157 Lu4 N17 O52 -","- C57 H44.9998 Lu4 N3 O20 -","- C456 H359.998 Lu32 N24 O160 -","8","0.333333","","Cui, Pei-Pei; Zhang, Xiu-Du; Zhao, Yue; Fu, Ai-Yun; Sun, Wei-Yin","Synthesis, structure and adsorption properties of lanthanide-organic frameworks with pyridine-3,5-bis(phenyl-4-carboxylate).","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2591","2597","10.1039/c5dt03091a","","","0.71069","MoKα","","0.0397","0.0333","","","0.0979","0.0998","","","","","","1.101","","","","has coordinates","177810","2020-10-21","18:00:00",""
"7037880","21.10705","0.00017","21.10705","0.00017","21.10705","0.00017","90","","90","","90","","9403.35","0.13","150.02","0.1","150.02","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C73 H128 P4 Si10.8 Th2 -","- C72.9978 H127.999 P3.9998 Si10.8 Th2 -","- C291.991 H511.994 P15.9992 Si43.2 Th8 -","4","0.166667","","Formanuik, Alasdair; Ortu, Fabrizio; Beekmeyer, Reece; Kerridge, Andrew; Adams, Ralph W.; Mills, David P.","White phosphorus activation by a Th(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2390","2393","10.1039/c5dt04528b","","","0.71073","MoKα","","0.0834","0.058","","","0.1685","0.1918","","","","","","1.044","","","","has coordinates,has disorder","177808","2020-10-21","18:00:00",""
"7038374","11.64724","0.00029","11.64724","0.00029","11.64724","0.00029","90","","90","","90","","1580.04","0.07","143","","143","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- F7 Ge H12 N3 -","- F7 Ge H12 N3 -","- F56 Ge8 H96 N24 -","8","0.333333","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.","A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5321","5327","10.1039/c5dt04907e","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.57","2.327","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7039920","22.297","0.0004","22.297","0.0004","22.297","0.0004","90","","90","","90","","11085.1","0.3","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C54 H45 Cl Cu O6 P3 Si3 -","- C54 H45 Cl Cu O6 P3 Si3 -","- C432 H360 Cl8 Cu8 O48 P24 Si24 -","8","0.333333","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.068","0.0469","","","0.1234","0.1297","","","","","","1.099","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7040094","21.0511","0.0004","21.0511","0.0004","21.0511","0.0004","90","","90","","90","","9328.8","0.3","295","","295","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C84 H126 Cl2 Co7 N6 O24 -","- C84 H126 Cl2 Co7 N6 O24 -","- C336 H504 Cl8 Co28 N24 O96 -","4","0.166667","","Singha Mahapatra, Tufan; Basak, Dipmalya; Chand, Santanu; Lengyel, Jeff; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis","Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13576","13589","10.1039/c6dt02494g","","","0.71073","MoKα","","0.0861","0.0697","","","0.206","0.2325","","","","","","1.13","","","","has coordinates,has disorder","186398","2020-10-21","18:00:00",""
"7040391","11.394","0.003","11.394","0.003","11.394","0.003","90","","90","","90","","1479.2","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- K3.92 O64 Te24 U4 -","- K10.48 O64 Te24 U4 -","- K10.48 O64 Te24 U4 -","1","0.0416667","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Investigation of reactivity and structure formation in a K-Te-U oxo-system under high-temperature/high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15225","15235","10.1039/c6dt01350c","","","0.71073","MoKα","","0.0313","0.0298","","","0.0672","0.068","","","","","","0.996","","","","has coordinates","188115","2020-10-21","18:00:00",""
"7040396","27.2332","0.0009","27.2332","0.0009","27.2332","0.0009","90","","90","","90","","20197.4","1.2","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H353 B32 Mg16 O48 -","- C96 H338 B32 Mg16 O48 -","- C384 H1352 B128 Mg64 O192 -","4","0.166667","","Wegner, W.; Jaroń, T; Dobrowolski, M. A.; Dobrzycki, Ł; Cyrański, M K; Grochala, W.","Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel inorganic mixed-cation borohydrides.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14370","14377","10.1039/c6dt02239a","","","1.54178","CuKα","","0.0791","0.0652","","","0.1931","0.2162","","","","","","1.038","","","","has coordinates,has disorder","187119","2020-10-21","18:00:00",""
"7040563","31.8857","0.0004","31.8857","0.0004","31.8857","0.0004","90","","90","","90","","32418.1","0.7","185","2","185","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C177 H129 Mn8 N15 O37 -","- C177 H117 Mn8 N15 O37 -","- C1416 H936 Mn64 N120 O296 -","8","0.333333","","Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei","Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15634","15643","10.1039/c6dt03207a","","","0.71073","MoKα","","0.1492","0.0997","","","0.25","0.2995","","","","","","1.153","","","","has coordinates,has disorder","188134","2020-10-21","18:00:00",""
"7042041","29.59","0.002","29.59","0.002","29.59","0.002","90","","90","","90","","25908","3","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C108 H216 K8 N12 O48 Pd24 Sb42 -","- C108 H216 K8 N12 O48 Pd24 Sb42 -","- C432 H864 K32 N48 O192 Pd96 Sb168 -","4","0.166667","","Li, Zhenyu; Ruan, Huapeng; Wang, Lulu; Liu, Caiping; Xu, Li","Counterion-induced crystallization of intermetalloid Matryoshka clusters [Sb@Pd12@Sb20](3-,4).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3453","3456","10.1039/c7dt00342k","","","0.71073","MoKα","","0.0759","0.0745","","","0.1894","0.1906","","","","","","1.286","","","","has coordinates","195109","2020-10-21","18:00:00",""
"7043239","22.615","0.003","22.615","0.003","22.615","0.003","90","","90","","90","","11566","3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C108 H120.5 Cl2 N12 Ni7 O24.25 -","- C108 H120 Cl2 N12 Ni7 O24.25 -","- C432 H480 Cl8 N48 Ni28 O97 -","4","0.166667","","Kobayashi, Fumiya; Ohtani, Ryo; Teraoka, Saki; Kosaka, Wataru; Miyasaka, Hitoshi; Zhang, Yingjie; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Syntheses, Structures and Magnetic Properties of Tetranuclear Cubane-type and Heptanuclear Wheel-type Nickel(II) Complexes with 3-Methoxysalicylic Acid Derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01757J","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0807","0.0678","","","0.193","0.2084","","","","","","1.045","","","","has coordinates","197548","2020-10-21","18:00:00",""
"7047573","22.6686","0.0017","22.6686","0.0017","22.6686","0.0017","90","","90","","90","","11648.6","1.5","123","","123","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C109 H128 Cl2 N12 Ni6 O27 Zn -","- C108 H124 Cl2 N12 Ni5.9998 O25.9998 Zn1.0002 -","- C432 H495.998 Cl8 N48 Ni23.9992 O103.999 Zn4.0008 -","4","0.166667","","Kobayashi, Fumiya; Ohtani, Ryo; Kusumoto, Sotaro; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Wheel-type heterometallic ferromagnetic clusters: [Ni<sub>7-x</sub>M<sub>x</sub>(HL)<sub>6</sub>(μ<sub>3</sub>-OMe)<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>]Cl<sub>2</sub> (M = Zn, Co, Mn; x = 1, 3).","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16422","16428","10.1039/c8dt03275k","","","0.71075","MoKα","","0.1378","0.071","","","0.1864","0.2507","","","","","","1.041","","","","has coordinates,has disorder","229640","2020-10-21","18:00:00",""
"7047738","26.34708","0.00015","26.34708","0.00015","26.34708","0.00015","90","","90","","90","","18289.3","0.18","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H100 Co20 N78 O42 S26 -","- C67 H96.9954 Co20 N78 O41.9916 S26.0004 -","- C268 H387.982 Co80 N312 O167.966 S104.002 -","4","0.166667","","Wang, Hui; Xu, Xiaoling; Jiang, Yimin; Yao, Pengfei; Li, Bo; Zou, Huahong; Zhou, Jinglin; Chen, Zilu","Synthesis, structure and magnetic properties of two mixed-valence icosanuclear nanocages.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15141","15147","10.1039/c8dt03444c","","","0.71073","MoKα","","0.089","0.0607","","","0.1563","0.207","","","","","","1.091","","","","has coordinates,has disorder","229484","2020-10-21","18:00:00",""
"7047739","26.0903","0.0001","26.0903","0.0001","26.0903","0.0001","90","","90","","90","","17759.8","0.12","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H100 N78 Ni20 O42 S26 -","- C48 H48 N72 Ni20 O31.9992 S25.9998 -","- C192 H192 N288 Ni80 O127.997 S103.999 -","4","0.166667","","Wang, Hui; Xu, Xiaoling; Jiang, Yimin; Yao, Pengfei; Li, Bo; Zou, Huahong; Zhou, Jinglin; Chen, Zilu","Synthesis, structure and magnetic properties of two mixed-valence icosanuclear nanocages.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15141","15147","10.1039/c8dt03444c","","","0.71073","MoKα","","0.0663","0.0491","","","0.1215","0.1516","","","","","","1.07","","","","has coordinates","229484","2020-10-21","18:00:00",""
"7051413","27.283","0.003","27.283","0.004","27.283","0.003","90","0.01","90","0.007","90","0.008","20308.4","4.1","173","2","173","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","","","","- C30 H30 B Cu F6 N6 O P S3 -","- C30 H30 B Cu F5.98667 N6 O P S3 -","- C720 H720 B24 Cu24 F143.68 N144 O24 P24 S72 -","24","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a809777a","","","","","","","0.0601","","","0.1167","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051642","32.973","0.01","32.973","0.01","32.973","0.01","90","","90","","90","","35849","19","120","2","120","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C168 H132 F24 N36 Si4 Zn4 -","- C168 H132 F24 N36 Si4 Zn4 -","- C1344 H1056 F192 N288 Si32 Zn32 -","8","0.333333","","Tidmarsh, Ian S.; Taylor, Brian F.; Hardie, Michaele J.; Russo, Luca; Clegg, William; Ward, Michael D.","Further investigations into tetrahedral M4L6 cage complexes containing guest anions: new structures and NMR spectroscopic studies","New Journal of Chemistry","2009","33","2","366","","10.1039/b816864d","","","0.6926","synchrotron","","0.2315","0.1578","","","0.4413","0.4761","","","","","","1.518","","","","has coordinates,has disorder","180070","2020-10-21","18:00:00",""
"7053396","16.2023","0.0004","16.2023","0.0004","16.2023","0.0004","90","","90","","90","","4253.34","0.18","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C20 H19 Br0.79 Cl3.21 P -","- C20 H19 Br0.78755 Cl3.21243 P -","- C160 H152 Br6.3004 Cl25.6994 P8 -","8","0.333333","","Saplinova, Tatyana; Lehnert, Christian; Böhme, Uwe; Wagler, Jörg; Kroke, Edwin","Melem- and melamine-derived iminophosphoranes","New Journal of Chemistry","2010","34","9","1893","","10.1039/b9nj00621d","","","0.71073","MoKα","","0.0652","0.027","","","0.0544","0.0637","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054284","22.9655","0.0004","22.9655","0.0004","22.9655","0.0004","90","","90","","90","","12112.3","0.4","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C112 H132 Cl2 Fe Mn6 N18 O34 -","- C112.02 H126.06 Cl2 Fe Mn6 N18 O33.98 -","- C448.08 H504.24 Cl8 Fe4 Mn24 N72 O135.92 -","4","0.166667","","Kopotkov, Vyacheslav A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Starichenko, Denis V.; Korolyov, Alexander V.; Ustinov, Vladimir V.; Shvachko, Yuri N.","Heterometallic complexes combining [MnIII(salpn)]+and [Fe(CN)6]4−units as the products of reactions between [MnIII(salpn)(H2O)C(CN)3] and [Fe(CN)6]3−/4−","New Journal of Chemistry","2014","38","9","4167","","10.1039/C4NJ00427B","","","0.71073","MoKα","","0.0467","0.0394","","","0.1044","0.1091","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7055695","24.7459","0.0002","24.7459","0.0002","24.7459","0.0002","90","","90","","90","","15153.4","0.2","200","0.14","200","0.14","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C54 H72 Cl4 Mo3 N6 O3 S4 -","- C54 H72 Cl4 Mo3 N6 O3 S4 -","- C432 H576 Cl32 Mo24 N48 O24 S32 -","8","0.333333","","Pino-Chamorro, Jose A.; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M. Jesús; Bustelo, Emilio; Gushchin, Artem L.; Shmelev, Nikita Y.; Abramov, Pavel A.; Sokolov, Maxim N.; Llusar, Rosa; Basallote, Manuel G.; Algarra, Andrés G.","Cycloaddition of alkynes to diimino Mo3S4cubane-type clusters: a combined experimental and theoretical approach","New J. Chem.","2016","40","9","7872","","10.1039/C6NJ01787H","","","1.5418","CuKα","","0.1003","0.0625","","","0.1487","0.1741","","","","","","1.016","","","","has coordinates","186465","2020-10-21","18:00:00",""
"7056815","11.7364","0.0003","11.7364","0.0003","11.7364","0.0003","90","","90","","90","","1616.61","0.07","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Hg6P4)(CrCl6)Cl","","- Cl7 Cr Hg6 P4 -","- Cl7 Cr Hg6 P4 -","- Cl28 Cr4 Hg24 P16 -","4","0.166667","","Peng, Si-Yan; Yang, Liu-Sai; Yao, Ming-Shui; Yu, Le-Shu","A new pnictidehalide with van der Waals host‒guest interactions exhibiting both geometric spin frustration and resistive humidity sensitivity","New Journal of Chemistry","2018","42","3","1787","","10.1039/C7NJ03351F","","","0.71073","MoKα","","0.0284","0.0264","","","0.0681","0.0687","","","","","","1.097","","","","has coordinates","230570","2020-10-21","18:00:00",""
"7057618","19.63","0.005","19.63","0.005","19.63","0.005","90","0.005","90","0.005","90","0.005","7564","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C50 H38 K N12 O14 Zn2 -","- C49.98 H30 K N12 O14 Zn2 -","- C199.92 H120 K4 N48 O56 Zn8 -","4","0.166667","","Zhao, Yan-Ning; Zhang, Shu-Ran; Wang, Wei; Xu, Yan-Hong; Che, Guang-Bo","A 3D metal‒organic framework with dual-aerial-octahedral trinucleate building units: synthesis, structure and fluorescence sensing properties","New Journal of Chemistry","2018","42","17","14648","","10.1039/C8NJ02078G","","","0.71069","MoKα","","0.143","0.1343","","","0.3903","0.399","","","","","","2.188","","","","has coordinates","230283","2020-10-21","18:00:00",""
"7059817","23.36997","0.00013","23.36997","0.00013","23.36997","0.00013","90","","90","","90","","12763.6","0.12","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C126 H102 Cu6 F18 N24 O6 Si3 -","- C126 H102 Cu6 F18 N24 O6 Si3 -","- C504 H408 Cu24 F72 N96 O24 Si12 -","4","0.166667","","Gopalakrishnan, Mohan; Krittametaporn, Nuttaporn; Yoshinari, Nobuto; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Anion-templated assembly of multinuclear copper(ii)‒triazole complexes","New Journal of Chemistry","2020","44","32","13764","13770","10.1039/D0NJ02832K","","x-ray","0.4115","synchrotron","","0.07","0.046","","","0.0985","0.105","","","","","","1.053","","","","has coordinates","257684","2020-10-21","18:00:00",""
"7100609","19.844","0.016","19.844","0.016","19.844","0.016","90","","90","","90","","7815","11","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C56 H72 N2 O24 Pt12 -","- C59.994 H71.982 N2 O24 Pt12 -","- C239.976 H287.928 N8 O96 Pt48 -","4","0.166667","","Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; Francesco Kaswalder; Marita Mehlstaubl; Stefano Zacchini","High-yield one-step synthesis in water of [Pt3n(CO)6n]2- (n>6) and [Pt38(CO)44]2-.","Chemical Communications","2005","","","","","10.1039/b513507a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101249","25.507","0.003","25.507","0.003","25.507","0.003","90","","90","","90","","16594","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Ferrocene@MOF-5","","","- C94 H82 Fe7 O13 Zn4 -","- C93.9 H72 Fe7 O13 Zn4 -","- C751.2 H576 Fe56 O104 Zn32 -","8","0.333333","","Kim, Hyunuk; Chun, Hyungphil; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","Vapor phase inclusion of ferrocene and its derivative in a microporous metal–organic porous material and its structural characterization by single crystal X-ray diffraction","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2759","2761","10.1039/b604925g","","","0.8","whitebeam","","0.0657","0.063","","","0.1412","0.142","","","","","","1.241","","","","has coordinates","287997","2023-12-04","15:34:59",""
"7101977","19.044","0.003","19.044","0.002","19.044","0.002","90","","90","","90","","6906.2","1.4","123","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","Isopropylgalloxane","","","- C6 H15 Ga2 O3 -","- C6 H11.8 Ga2 O3.32333 -","- C144 H283.2 Ga48 O79.76 -","24","1","","McKinlay, Robert M.; Dalgarno, Scott J.; Nichols, Peter J.; Papadopoulos, Stavroula; Atwood, Jerry L.; Raston, Colin L.","Icosahedral galloxane clusters","Chemical Communications (Cambridge, United Kingdom)","2007","","23","2393","2395","10.1039/b700984d","","","0.71073","MoKα","","0.1027","0.0661","","","0.1856","0.2064","","","","","","1.08","","","","has coordinates,has disorder","210410","2020-10-21","18:00:00",""
"7102738","25.8615","0.0007","25.8615","0.0007","25.8615","0.0007","90","","90","","90","","17296.6","0.8","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Trimethoxy-(tris-(mu-(3-phenyl-kC)imine-kN)methyl-2-(3,5-di- tert-butyl)phenolate-kO)triboro'","Trimethoxy-[tris-[mu-(3-phenyl-kC)imine-kN]methyl-2-(3,5-di-tert- butyl)phenolate-kO)triboro'","","- C96 H111 B3 N3 O6 -","- C95.98 H111 B3 N3 O6 -","- C767.84 H888 B24 N24 O48 -","8","0.333333","","Barba, Victor; Höpfl, Herbert; Farfán, Norberto; Santillan, Rosa; Beltran, Hiram I; Zamudio-Rivera, Luis S","Boron-nitrogen macrocycles: a new generation of calix[3]arenes.","Chemical communications (Cambridge, England)","2004","","24","2834","2835","10.1039/b410148k","","","0.71073","MoKα","","0.1171","0.1111","","","0.22","0.2234","","","","","","1.26","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102739","25.6586","0.0013","25.6586","0.0013","25.6586","0.0013","90","","90","","90","","16892.7","1.5","273","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Trimethoxy-(tris-(mu-(3-phenyl-kC)imine-kN)methyl-2-(3,5-di- tert-butyl)phenolate-kO)triboro'","Trimethoxy-[tris-[mu-(3-phenyl-kC)imine-kN]methyl-2-(3,5-di-tert- butyl)phenolate-kO)triboro'","","- C77.33 H96 B2.67 N2.67 O10.67 -","- C77.36 H96 B2.66667 N2.66667 O10.6756 -","- C696.24 H864 B24 N24 O96.08 -","9","0.375","","Barba, Victor; Höpfl, Herbert; Farfán, Norberto; Santillan, Rosa; Beltran, Hiram I; Zamudio-Rivera, Luis S","Boron-nitrogen macrocycles: a new generation of calix[3]arenes.","Chemical communications (Cambridge, England)","2004","","24","2834","2835","10.1039/b410148k","","","0.71073","MoKα","","0.1079","0.1072","","","0.2334","0.2338","","","","","","1.229","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7103135","17.6375","0.0002","17.6375","0.0002","17.6375","0.0002","90","","90","","90","","5486.7","0.11","130","2","130","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Cu(ii) complex with TBTA","","","- C10 H8 Cl0.5 Cu0.33 N3.33 -","- C10 H10 Cl0.5 Cu0.333333 N3.33333 -","- C240 H240 Cl12 Cu8 N80 -","24","1","","Donnelly, Paul S; Zanatta, Shannon D; Zammit, Steven C; White, Jonathan M; Williams, Spencer J","'Click' cycloaddition catalysts: copper(I) and copper(II) tris(triazolylmethyl)amine complexes.","Chemical communications (Cambridge, England)","2008","","21","2459","2461","10.1039/b719724a","","","1.54184","CuKα","","0.1969","0.0919","","","0.2532","0.326","","","","","","0.966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103146","22.4395","0.0002","22.4395","0.0002","22.4395","0.0002","90","","90","","90","","11299","0.17","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C48 H40 N10 O12 Zn4 -","- C48 H25 N10 O12 Zn4 -","- C384 H200 N80 O96 Zn32 -","8","0.333333","","Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Zhang, Lei; Cao, Xin-Yi; Yao, Yuan-Gen","Organically templated metal-organic framework with 2-fold interpenetrated {3(3).5(9).6(3)}-lcy net.","Chemical communications (Cambridge, England)","2008","","22","2532","2534","10.1039/b800017d","","","0.71073","MoKα","","0.0441","0.0408","","","0.1223","0.1302","","","","","","1.01","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103147","22.3381","0.0013","22.3381","0.0013","22.3381","0.0013","90","","90","","90","","11146.5","1.1","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C48 H40 N10 O12 Zn4 -","- C47.97 H24 N10 O12 Zn4 -","- C383.76 H192 N80 O96 Zn32 -","8","0.333333","","Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Zhang, Lei; Cao, Xin-Yi; Yao, Yuan-Gen","Organically templated metal-organic framework with 2-fold interpenetrated {3(3).5(9).6(3)}-lcy net.","Chemical communications (Cambridge, England)","2008","","22","2532","2534","10.1039/b800017d","","","0.71073","MoKα","","0.0499","0.0445","","","0.1343","0.1462","","","","","","1.176","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103189","22.9079","0.0009","22.9079","0.0009","22.9079","0.0009","90","","90","","90","","12021.4","0.8","180","2","180","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C42 H31 O18 P2 Zn3 -","- C42 H31 O18 P2 Zn3 -","- C336 H248 O144 P16 Zn24 -","8","0.333333","","Humphrey, Simon M; Oungoulian, Shaunt E; Yoon, Ji Woong; Hwang, Young Kyu; Wise, Erica R; Chang, Jong-San","Hysteretic sorption of light gases by a porous metal-organic framework containing tris(para-carboxylated) triphenylphosphine oxide.","Chemical communications (Cambridge, England)","2008","","25","2891","2893","10.1039/b802809e","","","0.71073","MoKα","","0.1462","0.104","","","0.2589","0.2915","","","","","","1.013","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103531","21.65","0.0007","21.65","0.0007","21.65","0.0007","90","","90","","90","","10147.8","0.6","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C36 H102 Cl4 Mn22 N36 O59 -","- C36 H72 Mn22 N36 O56 -","- C144 H288 Mn88 N144 O224 -","4","0.166667","","Nayak, Sanjit; Lan, Yanhua; Clérac, Rodolphe; Anson, Christopher E; Powell, Annie K","Concentric Archimedean polyhedra: Mn(III)(12)Mn(II)(9) aggregates linked into a cubic network.","Chemical communications (Cambridge, England)","2008","","44","5698","5700","10.1039/b811370j","","","0.71073","MoKα","","0.0583","0.0511","","","0.1573","0.1652","","","","","","1.056","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7104644","41.5947","0.0004","41.5947","0.0004","41.5947","0.0004","90","","90","","90","","71963.8","1.2","90","2","90","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C84 H138 Cd4 N46 O18 -","- C36 H24 Cd4 N30 O6 -","- C864 H576 Cd96 N720 O144 -","24","1","","Ouellette, Wayne; Zubieta, Jon","Solid state coordination chemistry of microporous metal-organic frameworks of the cadmium(ii)-4-pyridyltetrazolate family: the structural influences of chloride incorporation.","Chemical communications (Cambridge, England)","2009","34","30","4533","4535","10.1039/b907149k","","x-ray","0.71073","MoKα","","0.1232","0.1152","","","0.2379","0.2548","","","","","","1.215","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105934","22.6467","0.001","22.6467","0.001","22.6467","0.001","90","","90","","90","","11614.9","0.9","213","2","213","2","","","","","","","","7","P a -3","-P 2ac 2ab","205","","Cadmium(II) Tetrachlorocadmato(II)-hexakis-[μ-(4-(1,2,4-triazol-4-yl)- 3,5-dimethylpyrazolato]-hexa-μ-hydroxido-hexacopper(II) Solvate 13 Ethanol","","- C68 H132 Cd2 Cl4 Cu6 N30 O19 -","- C56.04 H90 Cd2 Cl4 Cu6 N30 O13.02 -","- C224.16 H360 Cd8 Cl16 Cu24 N120 O52.08 -","4","0.166667","","Evgen Govor; Andrey Lysenko; David Quinonero; Eduard Rusanov; Alexander Chernega; Jens Moellmer; Reiner Staudt; Harald Krautscheid; Antonio Frontera; Konstantin Domasevitch","Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework","Chem.Commun.","2011","47","","1764","","10.1039/c0cc04433d","","","0.71073","MoKα","","0.0838","0.0634","","","0.1793","0.1859","","","","","","1.056","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7107553","39.4527","0.0008","39.4527","0.0008","39.4527","0.0008","90","","90","","90","","61409","2","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C254 H318 Ag6 N24 O18 P12 S6 -","- C233 H296.97 Ag6 N24 O9 P12 S3 -","- C1864 H2375.76 Ag48 N192 O72 P96 S24 -","8","0.333333","","Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James","Selective formation of a polar incomplete coordination cage induced by remote ligand substituents","Chem.Commun.","2012","48","","4061","","10.1039/c2cc17832j","","","0.71073","MoKα","","0.2195","0.1112","","","0.3148","0.361","","","","","","0.892","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107989","24.3984","0.0007","24.3984","0.0007","24.3984","0.0007","90","","90","","90","","14523.9","0.7","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","H2Na4(Cu12(OH)6(pz)6(BTC)6)23H2O","","","- C72 H90 Cu12 N12 Na4 O65 -","- C72 H42 Cu12 N12 Na4.02 O55.9 -","- C288 H168 Cu48 N48 Na16.08 O223.6 -","4","0.166667","","Huan Zhang; Ying Lu; Zhi-Ming Zhang; Hai Fu; Yangguang Li; Dmytro Denysenko; Dirk Volkmer; Enbo Wang","A 12-connected metal-organic framework constructed from an unprecedented cyclic dodecanuclear copper cluster","Chem.Commun.","2012","48","","7295","","10.1039/c2cc32120c","","","0.71073","MoKα","","0.0687","0.0533","","","0.1399","0.146","","","","","","1.075","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108110","16.3969","0.0002","16.3969","0.0002","16.3969","0.0002","90","","90","","90","","4408.44","0.09","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 La N6 O13.25 Zn3 -","- C15 H5.47 La N6 O13.25 Zn3 -","- C120 H43.76 La8 N48 O106 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.07","0.0451","","","0.0914","0.0996","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108111","16.3614","0.0005","16.3614","0.0005","16.3614","0.0005","90","","90","","90","","4379.9","0.2","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 Ce N6 O13.25 Zn3 -","- C15 H5.46 Ce N6 O13.25 Zn3 -","- C120 H43.68 Ce8 N48 O106 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0397","0.0271","","","0.053","0.0563","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108112","16.3504","0.0002","16.3504","0.0002","16.3504","0.0002","90","","90","","90","","4371.04","0.09","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 N6 O13.25 Pr Zn3 -","- C15 H5.46 N6 O13.25 Pr Zn3 -","- C120 H43.68 N48 O106 Pr8 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0304","0.0239","","","0.0553","0.0576","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108113","16.3028","0.0001","16.3028","0.0001","16.3028","0.0001","90","","90","","90","","4332.98","0.05","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 N6 O13.25 Sm Zn3 -","- C15 H5.47 N6 O13.25 Sm Zn3 -","- C120 H43.76 N48 O106 Sm8 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0495","0.0317","","","0.0611","0.0664","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108114","16.2939","0.0001","16.2939","0.0001","16.2939","0.0001","90","","90","","90","","4325.89","0.05","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 Eu N6 O13.25 Zn3 -","- C15 H5.47 Eu N6 O13.25 Zn3 -","- C120 H43.76 Eu8 N48 O106 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0492","0.0267","","","0.0492","0.0549","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108115","16.2944","0.0001","16.2944","0.0001","16.2944","0.0001","90","","90","","90","","4326.28","0.05","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 Gd N6 O13.25 Zn3 -","- C15 H5.46 Gd N6 O13.25 Zn3 -","- C120 H43.68 Gd8 N48 O106 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0268","0.0208","","","0.0443","0.0461","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108116","16.2707","0.0003","16.2707","0.0003","16.2707","0.0003","90","","90","","90","","4307.43","0.14","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 N6 O13.25 Tb Zn3 -","- C15 H5.47 N6 O13.25 Tb Zn3 -","- C120 H43.76 N48 O106 Tb8 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0554","0.0349","","","0.0631","0.0703","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108117","16.2486","0.0017","16.2486","0.0017","16.2486","0.0017","90","","90","","90","","4289.9","0.8","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 N6 O13 Y Zn3 -","- C15 H4.98 N6 O13 Y Zn3 -","- C120 H39.84 N48 O104 Y8 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0373","0.024","","","0.0568","0.0609","","","","","","1.096","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108623","28.0037","0.0001","28.0037","0.0001","28.0037","0.0001","90","","90","","90","","21960.7","0.14","161","2","161","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C108 H314 Cu18 N30 O124 S20 -","- C108 H314 Cu18 N30 O124 S20 -","- C432 H1256 Cu72 N120 O496 S80 -","4","0.166667","","Zilu Zilu; Yifei Wang; Long Liu; Zhong Zhang; Fupei Liang","A six-bladed impeller-like Cu18 nanocluster with S6 symmetry constructed from simple inorganic linkers","Chem.Commun.","2012","48","","11689","","10.1039/c2cc36056j","","","1.54178","CuKα","","0.0847","0.0747","","","0.205","0.2164","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108693","21.244","0.002","21.244","0.002","21.244","0.002","90","","90","","90","","9587.6","1.6","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C68 H116 Cl2 Mn6 N6 O25 P8 -","- C68 H114 Cl2 Mn6 N6 O25 P8 -","- C272 H456 Cl8 Mn24 N24 O100 P32 -","4","0.166667","","Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt","Supramolecular approaches to metal-organic gels using 'Chevrel-type' coordination clusters as building units","Chem.Commun.","2013","49","","66","","10.1039/c2cc35486a","","","0.71073","MoKα","","0.0966","0.0934","","","0.2004","0.2019","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108842","16.1626","0.0002","16.1626","0.0002","16.1626","0.0002","90","","90","","90","","4222.15","0.09","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C19 H17 Br2 Cl2 P -","- C18 H15 Br2 P -","- C144 H120 Br16 P8 -","8","0.333333","","Kirill Nikitin; Helge Muller-Bunz; Declan Gilheany","Direct evidence of a multicentre halogen bond: unexpected contraction of the P-XXX-P fragment in triphenylphosphine dihalides","Chemical communications (Cambridge, England)","2013","49","14","1434","1436","10.1039/c2cc38363b","","","0.71073","MoKα","","0.0454","0.0374","","","0.1294","0.134","","","","","","1.194","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108843","15.9738","0.0002","15.9738","0.0002","15.9738","0.0002","90","","90","","90","","4075.91","0.09","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C19 H17 Br0.69 Cl3.32 P -","- C19 H17 Br0.688 Cl3.31201 P -","- C152 H136 Br5.504 Cl26.4961 P8 -","8","0.333333","","Kirill Nikitin; Helge Muller-Bunz; Declan Gilheany","Direct evidence of a multicentre halogen bond: unexpected contraction of the P-XXX-P fragment in triphenylphosphine dihalides","Chemical communications (Cambridge, England)","2013","49","14","1434","1436","10.1039/c2cc38363b","","","0.71073","MoKα","","0.0548","0.0446","","","0.118","0.1251","","","","","","1.079","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7110222","14.0669","0.0001","14.0669","0.0001","14.0669","0.0001","90","","90","","90","","2783.53","0.03","20","","20","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C60 H2 O -","- C60 H2.004 O -","- C240 H8.016 O4 -","4","0.166667","","Shinobu Aoyagi; Norihisa Hoshino; Tomoyuki Akutagawa; Yuki Sado; Ryo Kitaura; Hisanori Shinohara; Kunihisa Sugimoto; Rui Zhang; Yasujiro Murata","A cubic dipole lattice of water molecules trapped inside carbon cages","Chem.Commun.","2014","50","","524","","10.1039/c3cc46683c","","","0.49917","synchrotron","","0.036","0.0322","","","0.0851","0.0901","","","","","","","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110751","26.975","0.003","26.975","0.003","26.975","0.003","90","","90","","90","","19628","4","200","2","200","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Tetrakis(tris(trimethylsilyl)germyltetragallan_0.5 Hexakis(trimethyl- silyl)digermoxan","","- C48.5 H139 Ga4 Ge5 O0.5 Si15 -","- C46.5 H81 Ga4 Ge5 O0.51 Si15 -","- C372 H648 Ga32 Ge40 O4.08 Si120 -","8","0.333333","","Linti, Gerald; Rodig, Alexander","Facile synthesis and crystal structure of a Ga22R8 cluster","Chemical Communications","2000","","2","127","","10.1039/a907039g","","","0.71073","MoKα","","0.227","0.1081","","","0.2891","0.3309","","","","","","0.91","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7111624","19.025","0.003","19.025","0.003","19.025","0.003","90","","90","","90","","6886.1","1.9","123","2","123","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C19 H9 O15 S3 Zn4 -","- C18.99 H8.97 O14.99 S3 Zn4 -","- C151.92 H71.76 O119.92 S24 Zn32 -","8","0.333333","","Takashima, Yohei; Bonneau, Charlotte; Furukawa, Shuhei; Kondo, Mio; Matsuda, Ryotaro; Kitagawa, Susumu","Periodic molecular boxes in entangled enantiomorphic lcy nets","Chemical Communications","2010","46","23","4142","4144","10.1039/c002924f","","","0.71069","MoKα","","0.0593","0.0578","","","0.1618","0.1633","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7114444","19.2907","0.0001","19.2907","0.0001","19.2907","0.0001","90","","90","","90","","7178.67","0.06","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C8 H4 Cl0.33 O8.33 V -","- C8 H4 Cl0.33 O8.33667 V -","- C192 H96 Cl7.92 O200.08 V24 -","24","1","","Barthelet, K.; Riou, D.; Férey, G.","[VIII(H2O)]3O(O2CC6H4CO2)3·(Cl, 9H2O) (MIL-59): a rare example of vanadocarboxylate with a magnetically frustrated three-dimensional hybrid framework","Chemical Communications","2002","","14","1492","","10.1039/b202749f","","","0.71073","MoKα","","0.0678","0.0513","","0.1331","0.1238","","","","1.14","1.175","1.175","","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114781","25.01","0.003","25.01","0.003","25.01","0.003","90","","90","","90","","15644","3","173","2","173","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C40 H20 Cl F18 Ir N3 O0 -","- C39.99 H18 Cl F18 Ir N3 -","- C639.84 H288 Cl16 F288 Ir16 N48 -","16","0.666667","","Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying","New, efficient electroluminescent materials based on organometallic Ir complexes","Chemical Communications","2001","","16","1494","","10.1039/b103490c","","","0.71073","MoKα","","0.0838","0.0356","","","0.0625","0.087","","","","","","1.122","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7115721","25.5775","0.0018","25.5775","0.0018","25.5775","0.0018","90","","90","","90","","16733","2","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","alpha-IRMOF-3-AMPh","","","- C45 H27 N3 O16 Zn4 -","- C45 H27 N3 O16 Zn4 -","- C360 H216 N24 O128 Zn32 -","8","0.333333","","Dau, Phuong V.; Cohen, Seth M.","Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups","Chemical Communications (Cambridge, United Kingdom)","2014","50","81","12154","12157","10.1039/c4cc05265j","","","0.71073","MoKα","","0.1271","0.0947","","","0.2677","0.2881","","","","","","1.008","","","","has coordinates","210868","2020-10-21","18:00:00",""
"7115725","25.384","0.001","25.384","0.001","25.384","0.001","90","","90","","90","","16356.1","1.1","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","IRMOF-3-AM4ClPh","","","- C45 H24 Cl3 N3 O16 Zn4 -","- C45 H24 Cl3 N3 O16 Zn4 -","- C360 H192 Cl24 N24 O128 Zn32 -","8","0.333333","","Dau, Phuong V.; Cohen, Seth M.","Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups","Chemical Communications (Cambridge, United Kingdom)","2014","50","81","12154","12157","10.1039/c4cc05265j","","","0.71073","MoKα","","0.1882","0.1544","","","0.4234","0.4419","","","","","","1.576","","","","has coordinates","210868","2020-10-21","18:00:00",""
"7116613","18.1811","0.0006","18.1811","0.0006","18.1811","0.0006","90","","90","","90","","6009.8","0.3","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- H36 K10 Na2 Nb12 O56 Pt -","- K9.999 Na2 Nb12 O56 Pt -","- K39.996 Na8 Nb48 O224 Pt4 -","4","0.166667","","Abramov, P. A.; Vicent, C.; Kompankov, N. B.; Gushchin, A. L.; Sokolov, M. N.","Platinum polyoxoniobates","Chemical Communications (Cambridge, United Kingdom)","2015","51","19","4021","4023","10.1039/c5cc00315f","","x-ray","0.71073","MoKα","","0.048","0.0394","","","0.1322","0.1429","","","","","","1.073","","","","has coordinates,has disorder","210897","2020-10-21","18:00:00",""
"7118678","21.7015","0.0012","21.7015","0.0012","21.7015","0.0012","90","","90","","90","","10220.4","1","223","2","223","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C48 Cu16 Se31 Sn6 -","- C48 Cu16 Se31 Sn6 -","- C192 Cu64 Se124 Sn24 -","4","0.166667","","Yang, Huajun; Wang, Le; Hu, Dandan; Lin, Jian; Luo, Li; Wang, Hongxiang; Wu, Tao","A novel copper-rich open-framework chalcogenide constructed from octahedral Cu4Se6 and icosahedral Cu8Se13 nanoclusters.","Chemical communications (Cambridge, England)","2016","52","22","4140","4143","10.1039/c6cc00183a","","","0.71073","MoKα","","0.1097","0.0759","","","0.1772","0.2228","","","","","","1.098","","","","has coordinates","181525","2020-10-21","18:00:00",""
"7119035","40.8424","0.0009","40.8424","0.0009","40.8424","0.0009","90","","90","","90","","68129","3","100","","100","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C216 H228 F96 N72 Sb16 Zn8 -","- C216 H237 F84.0002 N72 Sb14.0002 Zn8 -","- C1728 H1896 F672.002 N576 Sb112.002 Zn64 -","8","0.333333","","Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che","M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange","Chem.Commun.","2016","52","","5981","","","","","1.54178","CuKα","","0.1065","0.0977","","","0.2862","0.2969","","","","","","1.086","","","","has coordinates,has disorder","183981","2020-10-21","18:00:00",""
"7119036","41.313","0.005","41.313","0.005","41.313","0.005","90","","90","","90","","70512","15","100","","100","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C232 H240 Cd8 F48 N72 O48 S16 -","- C232 H240 Cd8 F47.9997 N72 O48.0001 S16 -","- C1856 H1920 Cd64 F383.998 N576 O384.001 S128 -","8","0.333333","","Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che","M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange","Chem.Commun.","2016","52","","5981","","","","","0.78","","","0.1477","0.1226","","","0.3474","0.3748","","","","","","1.014","","","","has coordinates,has disorder","183981","2020-10-21","18:00:00",""
"7123425","18.9258","0.0001","18.9258","0.0001","18.9258","0.0001","90","","90","","90","","6778.95","0.06","173.05","0.1","173","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","3","","- C78 H72 Co2 N4 P6 -","- C78 H72 Co2 N4 P6 -","- C312 H288 Co8 N16 P24 -","4","0.166667","","Apps, Samantha; Miller, Philip; Long, Nicholas J.","Cobalt-triphos dinitrogen complexes: activation and silyl-functionalisation of N2","Chemical Communications","2019","","","","","10.1039/C9CC01496A","","x-ray","1.54184","CuKα","","0.046","0.0375","","","0.0935","0.1002","","","","","","1.045","","","","has coordinates","215048","2020-10-21","18:00:00",""
"7125141","27.98535","0.00015","27.98535","0.00015","27.98535","0.00015","90","","90","","90","","21917.6","0.2","110.05","0.1","110.05","0.1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C89.42 H141.68 Cl3 Ir3 N12 O5.42 Si3 -","- C89.416 H141.664 Cl3 Ir3 N12 O5.416 Si3 -","- C715.328 H1133.31 Cl24 Ir24 N96 O43.328 Si24 -","8","0.333333","","Olaru, Alexandra M.; Burt, Alister; Rayner, Peter J.; Hart, Sam J.; Whitwood, Adrian C.; Green, Gary G. R.; Duckett, Simon B.","Using signal amplification by reversible exchange (SABRE) to hyperpolarise <sup>119</sup>Sn and <sup>29</sup>Si NMR nuclei.","Chemical communications (Cambridge, England)","2016","52","100","14482","14485","10.1039/c6cc07109k","","x-ray","0.71073","MoKα","","0.0828","0.0439","","","0.0895","0.1136","","","","","","1.26","","","","has coordinates,has disorder","234549","2020-10-21","18:00:00",""
"7125721","15.141","0.0009","15.141","0.0009","15.141","0.0009","90","","90","","90","","3471.1","0.4","408","","408","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C18 H38 Ag4 I6 N4 -","- C17.9998 H37.9986 Ag3.9996 I5.9994 N4 -","- C71.9992 H151.994 Ag15.9984 I23.9976 N16 -","4","0.166667","","Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming","Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.","Chemical communications (Cambridge, England)","2020","56","3","462","465","10.1039/c9cc08394d","","","0.71073","MoKα","","0.117","0.0584","","","0.128","0.1477","","","","","","1.075","","","","has coordinates,has disorder","246450","2020-10-21","18:00:00",""
"7126781","16.3679","0.0001","16.3679","0.0001","16.3679","0.0001","90","","90","","90","","4385.09","0.05","173","0.1","173","0.1","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C24 H60 O18 V6 -","- C24 H60 O18 V6 -","- C96 H240 O72 V24 -","4","0.166667","","Meyer, Rachel L.; Love, Robert; Brennessel, William W.; Matson, Ellen M.","Mechanistic insights into polyoxometalate self-assembly in organic solvent: conversion of a cyclic polyoxovanadate-ethoxide to its Lindqvist congener.","Chemical communications (Cambridge, England)","2020","56","61","8607","8610","10.1039/d0cc03464a","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0797","0.0807","","","","","","1.071","","","","has coordinates","254930","2020-10-21","18:00:00",""
"7129211","31.9384","0.0009","31.9384","0.0009","31.9384","0.0009","90","","90","","90","","32579.1","1.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C99 H127 Mn23 N12 O61 -","- C99 H126 Mn23 N12 O61 -","- C792 H1008 Mn184 N96 O488 -","8","0.333333","","Skordi, Katerina; Anastassiades, Antonis; Fournet, Adeline D.; Kumar, Rahul; Schulze, Michael; Wernsdorfer, Wolfgang; Christou, George; Nastopoulos, Vassilios; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","High nuclearity structurally – related Mn supertetrahedral T4 aggregates","Chemical Communications","2021","","","","","10.1039/D1CC01815A","","","1.54184","CuKα","","0.2725","0.1131","","","0.267","0.3764","","","","","","0.879","","","","has coordinates","270528","2021-11-08","22:57:21",""
"7129433","29.6894","0.001","29.6894","0.001","29.6894","0.001","90","","90","","90","","26170","1.5","100","2","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H198 O33 U3 Yb6 -","- C90 H198 O33 U3 Yb6 -","- C720 H1584 O264 U24 Yb48 -","8","0.333333","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0546","0.0382","","","0.0817","0.0956","","","","","","1.185","","","","has coordinates","271561","2021-12-21","22:56:04",""
"7129444","29.7219","0.0005","29.7219","0.0005","29.7219","0.0005","90","","90","","90","","26256.1","0.8","100","","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H198 Ho6 O33 U3 -","- C90 H198 Ho6 O33 U3 -","- C720 H1584 Ho48 O264 U24 -","8","0.333333","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0411","0.0307","","","0.0663","0.071","","","","","","1.07","","","","has coordinates","271561","2021-12-21","22:56:07",""
"7203149","25.078","0.002","25.078","0.002","25.078","0.002","90","","90","","90","","15772","2","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.2378","0.0764","","","0.2029","0.2691","","","","","","0.941","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203151","25.39","0.002","25.39","0.002","25.39","0.002","90","","90","","90","","16368","2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.0944","0.0628","","","0.1851","0.219","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203336","22.8942","0.0001","22.8942","0.0001","22.8942","0.0001","90","","90","","90","","11999.9","0.09","123","2","123","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C42.5 H84 F3 Fe8 N4 O28 -","- C42.5 H81 F3 Fe8 N4 O28 -","- C340 H648 F24 Fe64 N32 O224 -","8","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.0362","0.0285","","","0.0642","0.0674","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203762","13.9176","0.0001","13.9176","0.0001","13.9176","0.0001","90","","90","","90","","2695.83","0.03","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C H4 Cl In0.33 N2 O -","- C H4 Cl In0.333333 N2 O -","- C24 H96 Cl24 In8 N48 O24 -","24","1","","Sardar, Kripasindhu; Dan, Meenakshi; Schwenzer, Birgit; Rao, C. N. R.","A simple single-source precursor route to the nanostructures of AlN, GaN and InN","Journal of Materials Chemistry","2005","15","22","2175","","10.1039/b502887f","","","0.71073","MoKα","","0.0245","0.0227","","0.0574","0.0568","","","","1.255","1.288","1.288","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7206249","27.3936","0.0002","27.3936","0.0002","27.3936","0.0002","90","","90","","90","","20556.4","0.3","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C156 H192 B6 Cu6 F24 N42 O42 -","- C156 H132 B6 Cu6 F24 N42 O42 -","- C624 H528 B24 Cu24 F96 N168 O168 -","4","0.166667","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.1","0.0621","","","0.1659","0.1833","","","","","","1.017","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7207162","22.42158","0.00019","22.42158","0.00019","22.42158","0.00019","90","","90","","90","","11271.9","0.17","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C92 H127 N11 O24 Si2 Zn4 -","- C48.05 H28.032 O13.012 Si2 Zn4 -","- C192.2 H112.128 O52.048 Si8 Zn16 -","4","0.166667","","Davies, Robert P.; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","An organosilicon hexacarboxylic acid and its use in the construction of a novel metal organic framework isoreticular to MOF-5","CrystEngComm","2012","14","3","758","","10.1039/c1ce06091k","","","1.54184","CuKα","","0.118","0.1007","","","0.3406","0.3593","","","","","","1.382","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207314","15.07392","","15.07392","","15.07392","","90","","90","","90","","3425.14","","293","","293","","","","","","","","","4","P a -3","-P 2ac 2ab","205","","","","- Ca3 N2 O4 Si2 -","- Ca3 N2 O4 Si2 -","- Ca72 N48 O96 Si48 -","24","1","","Wang, Xiao-Ming; Wang, Chun-Hai; Wu, M. M.; Wang, Y. X.; Jing, Xi-Ping","O/N ordering in the structure of Ca3Si2O4N2 and the luminescence properties of the Ce3+ doped material","Journal of Materials Chemistry","2012","22","8","3388","","10.1039/c2jm13852b","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207743","22.9238","0.0017","22.9238","0.0017","22.9238","0.0017","90","","90","","90","","12046.5","1.5","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C36 H62 Fe N3 O19 P6 -","- C36 H60 Fe N3 O19 P6 -","- C288 H480 Fe8 N24 O152 P48 -","8","0.333333","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.1708","0.0678","","","0.166","0.2085","","","","","","0.82","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7208154","15.48852","0.00016","15.48852","0.00016","15.48852","0.00016","90","","90","","90","","3715.61","0.07","298","","298","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ca15 N30 O10 Si20 -","- Ca15 N30 O9.99996 Si20 -","- Ca60 N120 O39.9998 Si80 -","4","0.166667","","Park, Woon Bae; Singh, Satendra Pal; Yoon, Chulsoo; Sohn, Kee-Sun","Eu2+ luminescence from 5 different crystallographic sites in a novel red phosphor, Ca15Si20O10N30:Eu2+","Journal of Materials Chemistry","2012","22","28","14068","","10.1039/c2jm32032k","powder diffraction","","1.5406","CuKα","","","","","","","","","4.4607","","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7209414","9.021","","9.021","","9.021","","90","","90","","90","","734.115","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Na Au3 Ge","","- Au3 Ge Na -","- Au3 Ge Na -","- Au24 Ge8 Na8 -","8","0.333333","","Doering, W.; Schuster, H.U.","Darstellung und Struktur von Na Au3 Si und Na Au3 Ge","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","1482","1483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209417","8.916","","8.916","","8.916","","90","","90","","90","","708.778","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Na Au3 Si","","- Au3 Na Si -","- Au3 Na Si -","- Au24 Na8 Si8 -","8","0.333333","","Schuster, H.U.; Doering, W.","Darstellung und Struktur von Na Au3 Si und Na Au3 Ge","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","1482","1483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210506","41.1341","0.0003","41.1341","0.0003","41.1341","0.0003","90","","90","","90","","69599.5","0.9","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C168 H478 Cl36 Dy12 N24 O131 -","- C168 H312 Cl36 Dy12 N24 O131 -","- C1344 H2496 Cl288 Dy96 N192 O1048 -","8","0.333333","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1547","0.0585","","","0.0889","0.0959","","","","","","0.962","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7211466","14.6567","0.0003","14.6567","0.0003","14.6567","0.0003","90","","90","","90","","3148.54","0.11","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C16 H36 I6 N4 Pb -","- C16 H35.88 I6 N4 Pb -","- C64 H143.52 I24 N16 Pb4 -","4","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0296","0.0296","","","0.076","0.076","","","","","","1.341","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211696","20.276","0.002","20.276","0.002","20.276","0.002","90","","90","","90","","8335.8","1.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C8 H8.83 Cu2 O11.42 -","- C8 H8.82667 Cu2 O11.4167 -","- C192 H211.84 Cu48 O274 -","24","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0456","0.0456","","","0.1528","0.1529","","","","","","1.077","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211701","20.5223","0.0006","20.5223","0.0006","20.5223","0.0006","90","","90","","90","","8643.3","0.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C8 H8.67 O11.33 Zn2 -","- C8 H8.66 O11.3333 Zn2 -","- C192 H207.84 O272 Zn48 -","24","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0442","0.0328","","","0.0858","0.0901","","","","","","1.075","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7216087","19.997","0.002","19.997","0.002","19.997","0.002","90","","90","","90","","7996.4","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 N6 O19.5 Zn3 -","- C90 H72 N6 O19.5 Zn3 -","- C360 H288 N24 O78 Zn12 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0553","0.0472","","","0.1293","0.1333","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216088","20.342","0.0005","20.342","0.0005","20.342","0.0005","90","","90","","90","","8417.5","0.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 Cd3 N6 O19.5 -","- C90 H72 Cd3 N6 O19.5 -","- C360 H288 Cd12 N24 O78 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0378","0.0318","","","0.0847","0.0872","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216089","20.6146","0.0013","20.6146","0.0013","20.6146","0.0013","90","","90","","90","","8760.4","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H85 Cd3 N6 O18.5 -","- C96 H84 Cd3 N6 O18.5 -","- C384 H336 Cd12 N24 O74 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0579","0.035","","","0.076","0.0829","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216455","16.4699","0.0007","16.4699","0.0007","16.4699","0.0007","90","","90","","90","","4467.6","0.3","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C7 H29 Al3 Ge3 N7 Ni O12 -","- C7 H12 Al3 Ge3 N6.99 Ni O12 -","- C56 H96 Al24 Ge24 N55.92 Ni8 O96 -","8","0.333333","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.05","0.0389","","","0.1193","0.1243","","","","","","1.136","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7217866","27.59","0.003","27.59","0.003","27.59","0.003","90","","90","","90","","21002","4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C18 H26 Cl In N4 O9 -","- C12 H6 Cl In N2 O4 -","- C288 H144 Cl24 In24 N48 O96 -","24","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0677","0.051","","","0.1656","0.1717","","","","","","1.169","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218675","24.755","0.003","24.755","0.003","24.755","0.003","90","","90","","90","","15170","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C16 H20 Co N2 O7 S2 -","- C14 H12 Co N2 O5 S -","- C336 H288 Co24 N48 O120 S24 -","24","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.135","0.0885","","","0.2191","0.2466","","","","","","1.078","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7221052","20.6387","0.001","20.6387","0.001","20.6387","0.001","90","","90","","90","","8791.2","0.7","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","1","0.0416667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0261","0.0197","","","0.0487","0.0525","","","","","","1.073","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221053","20.496","0.007","20.496","0.007","20.496","0.007","90","","90","","90","","8610","5","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd Cl K N O -","- C3.87097 H2.32258 Cd0.387097 Cl0.0645161 K0.0645161 N3.09677 O0.774194 -","- C240 H144 Cd24 Cl4 K4 N192 O48 -","62","2.58333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0599","0.0379","","","0.0859","0.0948","","","","","","0.961","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221054","20.554","0.0009","20.554","0.0009","20.554","0.0009","90","","90","","90","","8683.4","0.7","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Br Cd6 N48 Na O12 -","- C60 H36 Br Cd6 N48 Na O12 -","- C240 H144 Br4 Cd24 N192 Na4 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0289","0.0196","","","0.0483","0.0536","","","","","","0.995","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221055","20.5415","0.0007","20.5415","0.0007","20.5415","0.0007","90","","90","","90","","8667.6","0.5","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C30 H18 Cd3 Cl0.5 N24 Na0.5 O6 -","- C120 H72 Cd12 Cl2 N96 Na2 O24 -","- C240 H144 Cd24 Cl4 N192 Na4 O48 -","2","0.0833333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0311","0.0278","","","0.0635","0.0651","","","","","","1.185","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221056","20.6279","0.0005","20.6279","0.0005","20.6279","0.0005","90","","90","","90","","8777.4","0.4","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C20 H12 Cd2 I0.33 N16 Na0.33 O4 -","- C20 H12 Cd2 I0.333333 N16 Na0.333333 O4 -","- C240 H144 Cd24 I4 N192 Na4 O48 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0263","0.0206","","","0.0495","0.0525","","","","","","1.094","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221057","20.6298","0.0003","20.6298","0.0003","20.6298","0.0003","90","","90","","90","","8779.8","0.2","298","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 Cl N48 O12 Rb -","- C60 H36 Cd6 Cl N48 O12 Rb -","- C240 H144 Cd24 Cl4 N192 O48 Rb4 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0524","0.0558","","","","","","1.102","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221058","20.6704","0.0005","20.6704","0.0005","20.6704","0.0005","90","","90","","90","","8831.7","0.4","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C3.93 H0.02 Br0.07 Cd0.39 N3.15 O0.79 Rb0.07 -","- C20 H12 Br0.333333 Cd2 N16 O4 Rb0.333333 -","- C240 H144 Br4 Cd24 N192 O48 Rb4 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0351","0.0262","","","0.0631","0.0672","","","","","","1.109","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221059","20.7438","0.0004","20.7438","0.0004","20.7438","0.0004","90","","90","","90","","8926.2","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd I N O Rb -","- C4 H2.4 Cd0.4 I0.0666667 N3.2 O0.8 Rb0.0666667 -","- C240 H144 Cd24 I4 N192 O48 Rb4 -","60","2.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.028","0.0204","","","0.0446","0.0481","","","","","","1.047","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221060","20.7166","0.0004","20.7166","0.0004","20.7166","0.0004","90","","90","","90","","8891.1","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 I K N48 O12 -","- C60 H36 Cd6 I K N48 O12 -","- C240 H144 Cd24 I4 K4 N192 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0278","0.0203","","","0.0441","0.0479","","","","","","1.07","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7232842","10.9739","0.0003","10.9739","0.0003","10.9739","0.0003","90","","90","","90","","1321.55","0.06","123","2","123","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C7 H18 F6 N3 P -","- C7 H18 F6 N3 P -","- C28 H72 F24 N12 P4 -","4","0.166667","","Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.","Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01740B","","","0.71073","MoKα","","0.0407","0.0234","","","0.0479","0.0539","","","","","","1.192","","","","has coordinates,has disorder","215602","2020-10-21","18:00:00",""
"7234580","30.958","0.0002","30.958","0.0002","30.958","0.0002","90","","90","","90","","29670.1","0.3","293","2","293","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C149 H137 Ag6 Cl7 Cu O4 P9 S6 -","- C146 H131 Ag6 Cl0.5 Cu O2 P9 S6 -","- C1168 H1048 Ag48 Cl4 Cu8 O16 P72 S48 -","8","0.333333","","Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Zhong-Ning Chen","High-efficiency solution-processed OLEDs based on cationic Ag6Cu heteroheptanuclear cluster complexes with aromatic acetylides","Journal of Materials Chemistry C","2016","4","","1787","1794","10.1039/C5TC03886C","","","0.71073","MoKα","","0.0624","0.0614","","","0.1848","0.1862","","","","","","1.127","","","","has coordinates","219329","2020-10-21","18:00:00",""
"7234757","13.9925","0.0002","13.9925","0.0002","13.9925","0.0002","90","","90","","90","","2739.59","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 B3 F12 N2 Na -","- C6 H14 B3 F12 N2 Na -","- C48 H112 B24 F96 N16 Na8 -","8","0.333333","","Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun","(H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature","CrystEngComm","2019","","","","","10.1039/C9CE01454C","","","0.71073","MoKα","","0.0921","0.0839","","","0.2061","0.2102","","","","","","1.242","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7236565","19.8841","0.0001","19.8841","0.0001","19.8841","0.0001","90","","90","","90","","7861.72","0.07","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C36 H25 O8 Pb6 S12 -","- C36 H24.3334 O8 Pb6 S12 -","- C144 H97.3336 O32 Pb24 S48 -","4","0.166667","","Huang, Jiahong; He, Yonghe; Yao, Ming-Shui; He, Jun; Xu, Gang; Zeller, Matthias; Xu, Zhengtao","A semiconducting gyroidal metal-sulfur framework for chemiresistive sensing","Journal of Materials Chemistry A","2017","5","31","16139","","10.1039/C7TA02069D","","","1.54178","CuKα","","0.0699","0.0574","","","0.1424","0.1535","","","","","","1.087","","","","has coordinates,has disorder","236309","2020-10-21","18:00:00",""
"7236869","19.4641","0.0002","19.4641","0.0002","19.4641","0.0002","90","","90","","90","","7374","0.13","120.01","0.1","120.01","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C66 H72 Eu2 N18 Na O19 -","- C66 H72 Eu2 N18 Na O19 -","- C264 H288 Eu8 N72 Na4 O76 -","4","0.166667","","Han, Min-Le; Wen, Guo-Xuan; Dong, Wen-Wen; Zhou, Zhi-Hang; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Ma, Lu-Fang; Bu, Xianhui","A heterometallic sodium‒europium-cluster-based metal‒organic framework as a versatile and water-stable chemosensor for antibiotics and explosives","Journal of Materials Chemistry C","2017","5","33","8469","","10.1039/C7TC02885G","","x-ray","0.71073","MoKα","","0.0479","0.0399","","","0.0959","0.0997","","","","","","1.112","","","","has coordinates,has disorder","236590","2020-10-21","18:00:00",""
"7239477","16.8594","0.0013","16.8594","0.0012","16.8594","0.0013","90","","90","","90","","4792.1","0.6","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 La N6 O13 -","- C15 H4.98 Cd3 La N6 O13 -","- C120 H39.84 Cd24 La8 N48 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.07","0.0402","","","0.086","0.1031","","","","","","1.001","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239478","16.8075","0.0004","16.8075","0.0004","16.8075","0.0004","90","","90","","90","","4748","0.2","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 O13 Pr -","- C15 H4.98 Cd3 N6 O13 Pr -","- C120 H39.84 Cd24 N48 O104 Pr8 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0623","0.0359","","","0.059","0.0648","","","","","","1","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239479","16.7718","0.0001","16.7718","0.0001","16.7718","0.0001","90","","90","","90","","4717.79","0.05","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 Nd O13 -","- C15 H4.98 Cd3 N6 Nd O13 -","- C120 H39.84 Cd24 N48 Nd8 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0553","0.0391","","","0.0765","0.0815","","","","","","1.004","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239480","16.7466","0.0002","16.7466","0.0002","16.7466","0.0002","90","","90","","90","","4696.56","0.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 O13 Sm -","- C15 H4.98 Cd3 N6 O13 Sm -","- C120 H39.84 Cd24 N48 O104 Sm8 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.057","0.0392","","","0.0534","0.056","","","","","","0.991","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239481","16.736","0.0002","16.736","0.0002","16.736","0.0002","90","","90","","90","","4687.65","0.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 Eu N6 O13 -","- C15 H4.98 Cd3 Eu N6 O13 -","- C120 H39.84 Cd24 Eu8 N48 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0344","0.0243","","","0.0497","0.0518","","","","","","1.004","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239525","27.3103","0.0001","27.3103","0.0001","27.3103","0.0001","90","","90","","90","","20369.5","0.13","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I6 N42 O12 -","- C156 H132 Cu6 I6 N42 O12 -","- C624 H528 Cu24 I24 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.0407","0.0335","","","0.0816","0.0829","","","","","","1.021","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7239526","27.6501","0.0003","27.6501","0.0003","27.6501","0.0003","90","","90","","90","","21139.3","0.4","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I13.5 N42 O12 -","- C156 H132 Cu6 I13.5 N42 O12 -","- C624 H528 Cu24 I54 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.1532","0.1299","","","0.2826","0.2882","","","","","","1.375","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7239527","27.627","0.0002","27.627","0.0002","27.627","0.0002","90","","90","","90","","21086.3","0.3","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I9 N42 O12 -","- C156 H132 Cu6 I9 N42 O12 -","- C624 H528 Cu24 I36 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.238","0.1589","","","0.3242","0.3631","","","","","","1.108","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7242259","18.2873","0.0003","18.2873","0.0003","18.2873","0.0003","90","","90","","90","","6115.74","0.17","200","1","200","1","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C216 H312 N24 O72 -","8","0.333333","","Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick","Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06128J","","","1.54178","CuKα","","0.0462","0.0406","","","0.1045","0.1098","","","","","","1.031","","","","has coordinates","261909","2021-02-12","05:08:32",""
"7243100","12.243","0.003","12.243","0.003","12.243","0.003","90","","90","","90","","1835.1","0.8","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- B12 H13 K O25 -","- B12 H12.9996 K O25 -","- B48 H51.9984 K4 O100 -","4","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0578","0.0502","","","0.135","0.1405","","","","","","1.068","","","","has coordinates,has disorder","268664","2021-09-06","10:27:31",""
"7243565","12.3596","0.0011","12.3596","0.0011","12.3596","0.0011","90","","90","","90","","1888","0.3","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- B12 H3 Na2 O21 Rb -","- B12 Na2 O20.9996 Rb -","- B48 Na8 O83.9984 Rb4 -","4","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0431","0.0339","","","0.093","0.1006","","","","","","1.121","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7700358","5.4178","0.0002","5.4178","0.0002","5.4178","0.0002","90","","90","","90","","159.026","0.01","295","","295","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Zuñiga-Puelles, E; Cardoso-Gil, R; Bobnar, M.; Veremchuk, I.; Himcinschi, C.; Hennig, C.; Kortus, J.; Heide, G.; Gumeniuk, R.","Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS<sub>2</sub>).","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10703","10713","10.1039/c9dt01902b","","","0.71073","MoKα","","0.015","0.0151","","0.015","","0.0176","","","","","","1.02","","","","has coordinates","223779","2020-10-21","18:00:00",""
"7700528","22.5919","0.0001","22.5919","0.0001","22.5919","0.0001","90","","90","","90","","11530.8","0.09","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C228 H254 N28 O81 Zn16 -","- C228 H253.998 N28 O80.9988 Zn16 -","- C456 H507.997 N56 O161.998 Zn32 -","2","0.0833333","","Meng, Huan-Huan; Wang, Cai-Yun; Xi, Wei; Song, Xue-Qin; Wang, Li","A cationic tetrahedral Zn(ii) cluster based on a new salicylamide imine multidentate ligand: synthesis, structure and fluorescence sensing study.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12326","12335","10.1039/c9dt01376h","","","1.54178","CuKα","","0.0408","0.0325","","","0.0846","0.0915","","","","","","1.03","","","","has coordinates","223920","2020-10-21","18:00:00",""
"7700618","35.2909","0.0006","35.2909","0.0006","35.2909","0.0006","90","","90","","90","","43953","1.3","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C77 H65 Dy2 N4 O10 -","- C77 H65 Dy2 N4 O10 -","- C1848 H1560 Dy48 N96 O240 -","24","1","","Zhang, Sheng; Mo, Wenjiao; Zhang, Zengqi; Gao, Fei; Wang, Lei; Hu, Dengwei; Chen, Sanping","Ligand ratio/solvent-influenced syntheses, crystal structures, and magnetic properties of polydentate Schiff base ligand-Dy(iii) compounds with β-diketonate ligands as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12466","12481","10.1039/c9dt02618e","","","1.54184","CuKα","","0.1354","0.0679","","","0.1803","0.2383","","","","","","0.851","","","","has coordinates","223989","2020-10-21","18:00:00",""
"7701081","23.9284","0.0001","23.9284","0.0001","23.9284","0.0001","90","","90","","90","","13700.6","0.1","180.01","0.1","180.01","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Gd3","","- C66 H45 Gd N9 O6 P3 -","- C66 H45 Gd N9 O6 P3 -","- C528 H360 Gd8 N72 O48 P24 -","8","0.333333","","Sun, Boxun; Wei, Chen; Wei, Huibo; Cai, Zelun; Liu, Huanyu; Zang, Zhiyu; Yan, Wenchao; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Highly efficient room-temperature phosphorescence achieved by gadolinium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14958","14961","10.1039/c9dt03050f","","x-ray","0.71073","MoKα","","0.0774","0.0427","","","0.1086","0.1411","","","","","","1.038","","","","has coordinates,has disorder","224238","2020-10-21","18:00:00",""
"7701237","8.46032","0.00005","8.46032","0.00005","8.46032","0.00005","90","","90","","90","","605.564","0.006","293","","293","","","","101.3","","","","solid state reaction","3","P a -3","-P 2ac 2ab 3","205","europium platinum phosphide","europium platinum phosphide","","- Eu P2 Pt6 -","- Eu P2 Pt6 -","- Eu4 P8 Pt24 -","4","0.166667","","Plokhikh, Igor V.; Khan, Nazir; Tsirlin, Alexander A.; Kuznetsov, Alexey N.; Charkin, Dmitri O.; Shevelkov, Andrei V.; Pfitzner, Arno","Synthesis, crystal and electronic structures of Pt-rich phosphides EuPt<sub>3</sub>P and EuPt<sub>6</sub>P<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15272","15282","10.1039/c9dt02845e","powder diffraction","x-ray","0.7093","MoKα","","0.0372","0.0284","","0.0248","0.0238","","","","1.43","","","","","","","has coordinates","224241","2020-10-21","18:00:00",""
"7701461","28.897","0.004","28.897","0.004","28.897","0.004","90","","90","","90","","24130","6","150","2","150.15","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69 H81 Gd3 N24 O33 -","- C69 H81 Gd3 N24 O33 -","- C552 H648 Gd24 N192 O264 -","8","0.333333","","Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng","Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway","Dalton Transactions","2019","","","","","10.1039/C9DT02646K","","","0.71075","MoKα","","0.0859","0.0573","","","0.1211","0.1419","","","","","","1.142","","","","has coordinates","220618","2020-10-21","18:00:00",""
"7701462","28.811","0.004","28.811","0.004","28.811","0.004","90","","90","","90","","23915","6","150","2","150.15","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69 H81 Dy3 N24 O33 -","- C69 H81 Dy3 N24 O33 -","- C552 H648 Dy24 N192 O264 -","8","0.333333","","Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng","Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway","Dalton Transactions","2019","","","","","10.1039/C9DT02646K","","","0.71075","MoKα","","0.1411","0.0648","","","0.1389","0.1932","","","","","","1.217","","","","has coordinates","220618","2020-10-21","18:00:00",""
"7702909","11.2941","0.0005","11.2941","0.0005","11.2941","0.0005","90","","90","","90","","1440.64","0.11","298","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- B3 H12 Pr -","- B3.00003 H12.0001 Pr -","- B24.0002 H96.001 Pr8 -","8","0.333333","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","3.1699","","","","","","","","has coordinates","244804","2020-10-21","18:00:00",""
"7702912","11.2034","0.0005","11.2034","0.0005","11.2034","0.0005","90","","90","","90","","1406.21","0.11","298","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- B3 H12 Nd -","- B3.00003 H12.0001 Nd -","- B24.0002 H96.001 Nd8 -","8","0.333333","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","2.0926","","","","","","","","has coordinates","244806","2020-10-21","18:00:00",""
"7705267","14.6369","0.0009","14.6369","0.0009","14.6369","0.0009","90","","90","","90","","3135.8","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","[Co(CO)3(iPr2PNHiPr)]2","","- C12 H22 Co N O3 P -","- C11.9988 H21.9978 Co N0.9999 O2.9997 P0.9999 -","- C95.9904 H175.982 Co8 N7.9992 O23.9976 P7.9992 -","8","0.333333","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.1349","0.0414","","","0.0983","0.1479","","","","","","1.014","","","","has coordinates,has disorder","260793","2021-01-07","06:33:02",""
"7707117","37.3887","0.0002","37.3887","0.0002","37.3887","0.0002","90","","90","","90","","52266.2","0.5","110.3","0.2","110.3","0.2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C318 H366 Co30 N30 O90 S24 -","- C306 H318 Co30 N24 O90 S24 -","- C1224 H1272 Co120 N96 O360 S96 -","4","0.166667","","Zhang, Kai; Du, Shao-Wu","A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6181","6187","10.1039/d1dt00556a","","x-ray","1.3405","GaKα","","0.2575","0.1571","","","0.441","0.4962","","","","","","1.505","","","","has coordinates","266094","2021-06-05","18:58:40",""
"7710086","17.5892","0.0002","17.5892","0.0002","17.5892","0.0002","90","","90","","90","","5441.75","0.11","155","2","155","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C26 H35 Cl3 Co N P -","- C25.9992 H34.998 Cl3 Co N P -","- C207.994 H279.984 Cl24 Co8 N8 P8 -","8","0.333333","","Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-tai; Wang, Zhenxing; Ouyang, Zhongwen; Xue, Zi-Ling","Magnetic anisotropy of two tetrahedral Co(II)-halide complexes with triphenylphosphine ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00121G","","","0.71073","MoKα","","0.074","0.06","","","0.1565","0.17","","","","","","1.064","","","","has coordinates,has disorder","274595","2022-04-19","23:23:43",""
"7710087","17.8695","0.0001","17.8695","0.0001","17.8695","0.0001","90","","90","","90","","5706.07","0.06","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C26 H35 Br3 Co N P -","- C25.9992 H34.998 Br3 Co N P -","- C207.994 H279.984 Br24 Co8 N8 P8 -","8","0.333333","","Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-tai; Wang, Zhenxing; Ouyang, Zhongwen; Xue, Zi-Ling","Magnetic anisotropy of two tetrahedral Co(II)-halide complexes with triphenylphosphine ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00121G","","","0.71073","MoKα","","0.0946","0.075","","","0.1755","0.1889","","","","","","1.094","","","","has coordinates,has disorder","274595","2022-04-19","23:23:44",""
"7710672","21.034","0.0001","21.034","0.0001","21.034","0.0001","90","","90","","90","","9306.05","0.08","100.01","0.1","100.01","0.1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C24 H88.5 Cl2 K2 N30 O59.5 V6 -","- C24 H40.5 Cl2 K1.9998 N30 O35.5 V6 -","- C96 H162 Cl8 K7.9992 N120 O142 V24 -","4","0.166667","","Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui","Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions","Dalton Transactions","2022","","","","","10.1039/D2DT01360F","","","1.54184","CuKα","","0.0545","0.0524","","","0.1577","0.1597","","","","","","1.069","","","","has coordinates","276501","2022-07-02","22:53:27",""
"7713290","14.5961","0.0003","14.5961","0.0003","14.5961","0.0003","90","","90","","90","","3109.64","0.11","273","","273","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C14 H30 Ag4 I6 N4 -","- C14 H29.9994 Ag4.0198 I6 N4 -","- C56 H119.998 Ag16.0792 I24 N16 -","4","0.166667","","Pan, Xue-Wei; Li, Qing-Qing; Zhai, Lu; Zhang, Jin; Liu, Wen-Long; Ren, Xiao-Ming","Organic-inorganic haloargentate hybrids of [Me-dabco]Ag<sub>2</sub>X<sub>3</sub> (X = I or Br) with halide ions manipulating the crystal structure, phase transition, and dielectric behavior.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01366a","","","0.71073","MoKα","","0.0419","0.0323","","","0.0655","0.071","","","","","","1.075","","","","has coordinates,has disorder","284623","2023-06-29","11:02:25",""
"7715807","12.17","0.001","12.17","0.001","12.17","0.001","90","","90","","90","","1802.5","0.3","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Li8GeAs4","","- As4 Ge Li8 -","- As4 Ge Li8.0001 -","- As32 Ge8 Li64.0008 -","8","0.333333","","Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno","The cubic structure of Li3As stabilized by substitution – Li8TtAs4 (Tt = Si, Ge) and Li14TtAs6 (Tt = Si, Ge, Sn) and their lithium ion conductivity","Dalton Transactions","2024","","","","","10.1039/D4DT00664J","powder diffraction","x-ray","1.5406","CuKα1","","0.0269","0.0165","","0.0224","0.0205","","","","1.07","","","","","","","has coordinates","291338","2024-04-23","22:51:08",""
"7715810","12.096","0.001","12.096","0.001","12.096","0.001","90","","90","","90","","1769.8","0.3","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Li8SiAs4","","- As4 Li8 Si -","- As4 Li8.0001 Si -","- As32 Li64.0008 Si8 -","8","0.333333","","Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno","The cubic structure of Li3As stabilized by substitution – Li8TtAs4 (Tt = Si, Ge) and Li14TtAs6 (Tt = Si, Ge, Sn) and their lithium ion conductivity","Dalton Transactions","2024","","","","","10.1039/D4DT00664J","powder diffraction","x-ray","1.5406","CuKα1","","0.0229","0.0169","","0.0236","0.0222","","","","1.09","","","","","","","has coordinates","291338","2024-04-23","22:51:09",""
"8000417","14.2205","0.0003","14.2205","0.0003","14.2205","0.0003","90","","90","","90","","2875.71","0.11","273","2","273","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C6 H18 B3 F12 N3 -","- C6 H18 B3 F12 N3 -","- C48 H144 B24 F96 N24 -","8","0.333333","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0386","0.0338","","","0.0881","0.0907","","","","","","1.09","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000419","14.2492","0.0002","14.2492","0.0002","14.2492","0.0002","90","","90","","90","","2893.15","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 B3 F12 N2 Rb -","- C6 H14 B3 F12 N2 Rb -","- C48 H112 B24 F96 N16 Rb8 -","8","0.333333","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0832","0.0528","","","0.1153","0.1275","","","","","","1.082","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8100889","9.599","0.002","9.599","0.002","9.599","0.002","90","","90","","90","","884.5","0.3","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Li7 N4 V -","- Li14 N8 V2 -","- Li56 N32 V8 -","4","0.166667","","Niewa, Rainer; Kniep, Rüdiger","Redetermination of the crystal structure of heptalithium tetranitridovanadate(V), Li~7~[VN~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","5","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8102925","11.1723","0.0013","11.1723","0.0013","11.1723","0.0013","90","","90","","90","","1394.5","0.3","213","2","213","2","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","Germaniumtetrabromid","germanium tetrabromide","","- Br4 Ge -","- Br4 Ge -","- Br32 Ge8 -","8","0.333333","","Köhler, J.; Okudera, H.; Reuter, D.; Simon, A.","Crystal structure of germanium tetrabromide, α-GeBr~4~, room temperature modification","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","523","523","","","","0.71073","MoKα","","0.03","0.0269","","","0.0754","0.0765","","","","","","1.486","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103015","12.3511","0.0005","12.3511","0.0005","12.3511","0.0005","90","","90","","90","","1884.16","0.13","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Tetraarsenido hexamercury hexabromoindate bromide","","- As4 Br7 Hg6 In -","- As3.924 Br6.978 Hg5.964 In -","- As15.696 Br27.912 Hg23.856 In4 -","4","0.166667","","Hans-Jörg Deiseroth; Jens Schlirf; Christof Reiner","Crystal structure of tetraarsenidohexamercury hexabromoindate bromide, [Hg6As4][InBr6]Br and tetraantimonidohexamercury hexabromoindate bromide, [Hg6Sb4][InBr6]Br","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","2","167","","","","","0.71073","MoKα","","0.0446","0.0325","","","0.0654","0.0697","","","","","","1.12","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103519","12.328","","12.328","","12.328","","90","","90","","90","","1873.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(N H3 (O H)) Al (S O4)2 (H2 O)12","","- Al H28 N O21 S2 -","- Al H28.0002 N O21 S2 -","- Al4 H112.001 N4 O84 S8 -","4","0.166667","","Abdeen, A.M.; Weiss, A.; Will, G.","Neutron diffraction study of alums. I. The crystal structure of hydroxylammonium aluminium alum","Zeitschrift fuer Kristallographie (149,1979-)","1981","154","","45","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103532","16.625","","16.625","","16.625","","90","","90","","90","","4594.99","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","K16 Sr4 (Ge12 O36)","","- Ge12 K16 O36 Sr4 -","- Ge12 K16 O36 Sr4 -","- Ge48 K64 O144 Sr16 -","4","0.166667","","Baumgartner, O.; Voellenkle, H.","Die Kristallstruktur der Verbindung K4 Sr Ge3 O9, ein cyclogermanat mit zwoelferringen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","146","","261","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","144701","2020-10-21","18:00:00",""
"8104043","6.083","","6.083","","6.083","","90","","90","","90","","225.089","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Mn S2 -","- Mn S2 -","- Mn4 S8 -","4","0.166667","","Chattopadhyay, T.K.; von Schnering, H.G.; McIntyre, G.J.; Stansfield, R.F.D.","X-ray and neutron diffraction study of the crystal structure of Mn S2","Zeitschrift fuer Kristallographie (149,1979-)","1992","199","","13","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104083","12.1231","","12.1231","","12.1231","","90","","90","","90","","1781.73","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Ge In4 S4 -","- Ge In4 S4 -","- Ge8 In32 S32 -","8","0.333333","","Deiseroth, H.J.; Pfeifer, H.","Crystal structure of Ge In4 S4","Zeitschrift fuer Kristallographie (149,1979-)","1993","208","","378","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104271","9.0409","","9.0409","","9.0409","","90","","90","","90","","738.984","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(N H4)3 (Ga F6)","","- F6 Ga H12 N3 -","- F6 Ga H12 N3 -","- F24 Ga4 H48 N12 -","4","0.166667","","Schwarzmann, S.","Ueber die Kristallstruktur von Ammoniumgalliumhexafluorid","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1964","120","","286","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","189061","2020-10-21","18:00:00",""
"8104356","15.087","","15.087","","15.087","","90","","90","","90","","3434.07","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Na15.6 Ca3.84 (Si12 O36)","","- Ca3.84 Na15.6 O36 Si12 -","- Ca3.89 Na15.58 O36 Si12 -","- Ca15.56 Na62.32 O144 Si48 -","4","0.166667","","Fischer, R.X.; Tillmanns, E.","Die Kristallstruktur von Na4 Ca Si3 O9 und dessen strukturelle Beziehungen zu K4 Sr Ge3 O9 und Ca3 Al2 O6","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","245","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173103","2020-10-21","18:00:00",""
"8104412","5.691","","5.691","","5.691","","90","","90","","90","","184.317","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Si P2","","- P2 Si -","- P2 Si -","- P8 Si4 -","4","0.166667","","Chattopadhyay, T.K.; von Schnering, H.G.","Pyrite-type silicon diphosphide p-Si P2: Structural parameters and valence electron density distribution","Zeitschrift fuer Kristallographie (149,1979-)","1984","167","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104427","10.781","","10.781","","10.781","","90","","90","","90","","1253.07","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","C6 (C N)6","","- C12 N6 -","- C12 N6 -","- C48 N24 -","4","0.166667","","Drueck, U.; Kutoglu, A.","Experimental difference densities of hexacyanobenzene at 120 K. Refinement of electron density distributions with charge-cloud models","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","233","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","173846","2020-10-21","18:00:00",""
"8104446","8.23","","8.23","","8.23","","90","","90","","90","","557.442","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Zr (P2 O7)","","- O7 P2 Zr -","- O7 P2 Zr -","- O28 P8 Zr4 -","4","0.166667","","Levi, G.R.; Peyronel, G.","Struttura cristallographica del gruppo isomorpho (Si, Ti, Zr, Sn, Hf) P2 O7","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","190","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104490","6.397","","6.397","","6.397","","90","","90","","90","","261.776","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Os Te2 -","- Os Te2 -","- Os4 Te8 -","4","0.166667","","Stingl, T.; Mueller, B.; Lutz, H.D.","Crystal structure refinement of osmium(II) ditelluride","Zeitschrift fuer Kristallographie (149,1979-)","1992","202","","163","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8105475","12.2403","0.0014","12.2403","0.0014","12.2403","0.0014","90","","90","","90","","1833.9","0.4","297","","297","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Al H27 O21 S2 -","- Al H27 O21 S2 -","- Al4 H108 O84 S8 -","4","0.166667","","Liu, Yan; Hao, Min; Gao, Jianfeng; Liu, Jianghui; Cui, Juan","The crystal structure of oxonium hexaquaaluminium disulfate hexahydrate","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1393","1394","10.1515/ncrs-2020-0332","","","0.71073","MoKα","","0.0517","0.0507","","","0.1447","0.1458","","","","","","1.113","","","","has coordinates,has disorder","276181","2022-06-23","09:05:41",""
"9000052","6.649","","6.649","","6.649","","90","","90","","90","","293.947","","","","","","","","","","","","Giant Yellowknife mine, Northwest Territories, Canada","2","P a -3","-P 2ac 2ab 3","205","","","Aurostibite","- Au Sb2 -","- Au Sb2 -","- Au4 Sb8 -","4","0.166667","","Graham, A. R.; Kaiman, S.","Aurostibite, AuSb2; A new mineral in the pyrite group","American Mineralogist","1952","37","","461","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000134","5.582","","5.582","","5.582","","90","","90","","90","","173.928","","","","","","","","","","annealed after heating in a vacuum to 850 C","","","3","P a -3","-P 2ac 2ab 3","205","","","Cobaltite","- As Co S -","- As Co S -","- As4 Co4 S4 -","4","0.166667","","Giese, R. F.; Kerr, P. F.","The crystal structures of ordered and disordered cobaltite disordered, annealed after heating in a vacuum to 850 C","American Mineralogist","1965","50","","1002","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000163","5.7053","","5.7053","","5.7053","","90","","90","","90","","185.71","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","Gersdorffite-Pa3","- As1.23 Ni S0.77 -","- As1.23 Ni S0.77 -","- As4.92 Ni4 S3.08 -","4","0.166667","","Bayliss, P.","The crystal structure of disordered gersdorffite","American Mineralogist","1968","53","","290","293","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000594","5.4166","","5.4166","","5.4166","","90","","90","","90","","158.921","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Bayliss, P.","Crystal structure refinement of a weakly anisotropic pyrite cubic model","American Mineralogist","1977","62","","1168","1172","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000742","5.7891","","5.7891","","5.7891","","90","","90","","90","","194.014","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Villamaninite","- Cu S2 -","- Cu S2 -","- Cu4 S8 -","4","0.166667","","King, H. E.; Prewitt, C. T.","Structure and symmetry of CuS2 (pyrite structure)","American Mineralogist","1979","64","","1265","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9001249","5.585","","5.585","","5.585","","90","","90","","90","","174.209","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","Fukuchilite","- Cu0.7 Fe0.3 S2 -","- Cu0.7 Fe0.3 S2 -","- Cu2.8 Fe1.2 S8 -","4","0.166667","","Bayliss, P.","Crystal chemistry and crystallography of some minerals within the pyrite group","American Mineralogist","1989","74","","1168","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9004146","5.788","","5.788","","5.788","","90","","90","","90","","193.903","","","","","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","Platarsite","- As2 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S2 -","- As2 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S2 -","- As8 Ir0.2 Os0.04 Pt1.4 Rh1.24 Ru1.16 S8 -","4","0.166667","","Szymanski, J. T.","The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2","The Canadian Mineralogist","1979","17","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005413","12.832","","12.832","","12.832","","90","","90","","90","","2112.92","","","","","","","","","","","","Central Pyrenees, France","6","P a -3","-P 2ac 2ab 3","205","","","Nabiasite","- As0.618 Ba H2 Mn9 O26 V5.382 -","- As0.618 Ba H2 Mn9 O26 V5.382 -","- As2.472 Ba4 H8 Mn36 O104 V21.528 -","4","0.166667","","Brugger, J.; Bonin, M.; Schenk, K. J.; Meisser, N.; Berlepsch, P.; Ragu, A.","Description and crystal structure of nabiasite, BaMn9[(V,As)O4]6(OH)2, a new mineral from the Central Pyrenees (France)","European Journal of Mineralogy","1999","11","","879","890","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006170","5.7249","","5.7249","","5.7249","","90","","90","","90","","187.631","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Cu0.25 Fe0.75 S2 -","- Cu0.25 Fe0.75 S2 -","- Cu Fe3 S8 -","4","0.166667","","Schmid-Beurmann P; Lottermoser, W.","57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2 solid solution series","Physics and Chemistry of Minerals","1993","19","","571","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006171","5.5624","","5.5624","","5.5624","","90","","90","","90","","172.102","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Cu0.6 Fe0.4 S2 -","- Cu0.6 Fe0.4 S2 -","- Cu2.4 Fe1.6 S8 -","4","0.166667","","Schmid-Beurmann P; Lottermoser, W.","57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2 solid solution series","Physics and Chemistry of Minerals","1993","19","","571","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9007643","5.624","","5.624","","5.624","","90","","90","","90","","177.884","","","","150","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Simon, A.; Peters, K.","Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K","Acta Crystallographica, Section B","1980","36","","2750","2751","10.1107/S0567740880009879","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007682","5.5385","","5.5385","","5.5385","","90","","90","","90","","169.893","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Cattierite","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Nowack, E.; Schwarzenbach, D.; Hahn, T.","Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model","Acta Crystallographica, Section B","1991","47","5","650","659","10.1107/S0108768191004871","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007683","5.6765","","5.6765","","5.6765","","90","","90","","90","","182.912","","","","135","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Vaesite","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Nowack, E.; Schwarzenbach, D.; Hahn, T.","Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model, T = 135 K","Acta Crystallographica, Section B","1991","47","5","650","659","10.1107/S0108768191004871","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007739","8.6464","","8.6464","","8.6464","","90","","90","","90","","646.407","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Al F6 H6 K O2 -","- Al F6 H6 K O2 -","- Al4 F24 H24 K4 O8 -","4","0.166667","","Frenzen, G.; Massa, W.","Kalium-dioxonium-hexafluoroaluminat","Acta Crystallographica, Section C","1990","46","","190","192","10.1107/S0108270189006529","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007743","10.3159","","10.3159","","10.3159","","90","","90","","90","","1097.8","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cl2 H12 Ni O12 -","- Cl2 H12 Ni O12 -","- Cl8 H48 Ni4 O48 -","4","0.166667","","Gallucci, J. C.; Gerkin, R. E.","The structure of hexaaquanickel(II) chlorate","Acta Crystallographica, Section C","1990","46","","350","354","10.1107/S0108270189006943","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007833","5.6106","","5.6106","","5.6106","","90","","90","","90","","176.615","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Laurite","- Ru S4 -","- Ru S4 -","- Ru4 S16 -","4","0.166667","","Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.","Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2","Acta Crystallographica, Section C","1990","46","","2003","2005","10.1107/S0108270190001925","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007834","5.9336","","5.9336","","5.9336","","90","","90","","90","","208.908","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Se4 -","- Ru Se4 -","- Ru4 Se16 -","4","0.166667","","Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.","Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2","Acta Crystallographica, Section C","1990","46","","2003","2005","10.1107/S0108270190001925","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007976","12.2491","","12.2491","","12.2491","","90","","90","","90","","1837.86","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Cr H28 N O20 S2 -","- Cr H28 N O20 S2 -","- Cr4 H112 N4 O80 S8 -","4","0.166667","","Rempfer, N.; Lerner, H. W.; Bolte, M.","The ammonium chromium(III) alum NH4Cr(SO4)2*12H2O","Acta Crystallographica, Section E","2004","60","","i80","i81","10.1107/S1600536804011900","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008044","6.097","","6.097","","6.097","","90","","90","","90","","226.646","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Hauerite","- Mn S2 -","- Mn S2 -","- Mn4 S8 -","4","0.166667","","Offner, F.","A redetermination of the parameter for hauerite, MnS2","Zeitschrift fur Kristallographie","1934","89","","182","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008284","5.5387","","5.5387","","5.5387","","90","","90","","90","","169.912","","","","","","","","","","","","Shinkolobwe Mine, Katanga, Zaire","4","P a -3","-P 2ac 2ab 3","205","","","Cattierite","- Co0.8 Fe0.11 Ni0.09 S2 -","- Co0.8 Fe0.11 Ni0.09 S2 -","- Co3.2 Fe0.44 Ni0.36 S8 -","4","0.166667","","Pratt, J. L.; Bayliss, P.","Crystal-structure refinement of cattierite Note: pyrite structure","Zeitschrift fur Kristallographie","1979","150","","163","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008299","12.248","","12.248","","12.248","","90","","90","","90","","1837.36","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H28 N O20 S2 -","- Al H28 N O20 S2 -","- Al4 H112 N4 O80 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums: II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Note: Neutron data","Zeitschrift fur Kristallographie","1981","157","3-4","147","166","10.1524/zkri.1981.157.3-4.147","","neutron","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9008391","5.6765","","5.6765","","5.6765","","90","","90","","90","","182.912","","","","145","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Vaesite","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Nowack, E.; Schwarzenbach, D.; Gonschorek, W.; Hahn, T.","Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 145 K","Zeitschrift fur Kristallographie","1989","186","","213","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008392","5.6865","","5.6865","","5.6865","","90","","90","","90","","183.88","","","","295","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Vaesite","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Nowack, E.; Schwarzenbach, D.; Gonschorek, W.; Hahn, T.","Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 295 K","Zeitschrift fur Kristallographie","1989","186","","213","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008393","5.5385","","5.5385","","5.5385","","90","","90","","90","","169.893","","","","295","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Cattierite","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Nowack, E.; Schwarzenbach, D.; Gonschorek, W.; Hahn, T.","Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 295 K Note: pyrite structure","Zeitschrift fur Kristallographie","1989","186","","213","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008419","5.6194","","5.6194","","5.6194","","90","","90","","90","","177.447","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Erlichmanite","- Os S2 -","- Os S2 -","- Os4 S8 -","4","0.166667","","Stingl, T.; Muller, B.; Lutz, H. D.","Crystal structure refinement of osmium(II) disulfide, OsS2","Zeitschrift fur Kristallographie","1992","202","","161","162","10.1524/zkri.1992.202.1-2.161","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008571","5.644","","5.644","","5.644","","90","","90","","90","","179.788","","","","4.2","","","","","","","","","1","P a -3","-P 2ac 2ab 3","205","Nitrogen","","Nitrogen","- N2 -","- N2 -","- N8 -","4","0.166667","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample at T = 4.2 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009218","3.9299","","3.9299","","3.9299","","90","","90","","90","","60.694","","","","300","","","","271000000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.166667","","Kuwayama, Y.; Hirose, K.; Sata, N.; Ohishi, Y.","The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K","Science","2005","309","","923","925","10.1126/science.1114879","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009705","12.205","","12.205","","12.205","","90","","90","","90","","1818.08","","","","","","","","","","","","Alberes, East Pyrenees, France","11","P a -3","-P 2ac 2ab 3","205","","","Griphite","- Al2.05 Ca1.42 F1.6 Fe1.08 H1.12 Li0.54 Mg0.06 Mn3.54 Na1.02 O24.4 P5.82 -","- Al2.05 Ca1.42 F1.6 Fe1.08 H1.12 Li0.54 Mg0.06 Mn3.54 Na1.02 O24.4 P5.82 -","- Al8.2 Ca5.68 F6.4 Fe4.32 H4.48 Li2.16 Mg0.24 Mn14.16 Na4.08 O97.6 P23.28 -","4","0.166667","","Rinaldi, R.","The crystal structure of griphite, a complex phosphate, not a garnetoid","Bulletin de Mineralogie","1978","101","","543","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009854","6.116","","6.116","","6.116","","90","","90","","90","","228.772","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Krutaite","- Cu Se2 -","- Cu Se2 -","- Cu4 Se8 -","4","0.166667","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II Note: high-pressure polymorph, pyrite structure","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010011","5.38","","5.38","","5.38","","90","","90","","90","","155.721","","","","","","","","","","","","natural, unknown","2","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Ramsdell, L. S.","The crystal structures of some metallic sulfides","American Mineralogist","1925","10","","281","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010030","6.687","","6.687","","6.687","","90","","90","","90","","299.016","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Maslovite","- Bi1.3 Pd0.27 Pt0.73 Sb0.07 Te0.63 -","- Bi1.3 Pd0.27 Pt0.73 Sb0.07 Te0.63 -","- Bi5.2 Pd1.08 Pt2.92 Sb0.28 Te2.52 -","4","0.166667","","Bayliss, P.","Crystal chemistry and crystallography of some minerals within the pyrite group","American Mineralogist","1989","74","","1168","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9011064","12.213","","12.213","","12.213","","90","","90","","90","","1821.66","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Sodium alum","- Al H24 Na O20 S2 -","- Al H24 Na O20 S2 -","- Al4 H96 Na4 O80 S8 -","4","0.166667","","Cromer, D. T.; Kay, M. I.; Larson, A. C.","Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic","Acta Crystallographica","1967","22","","182","187","10.1107/S0365110X67000313","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011110","11.37","","11.37","","11.37","","90","","90","","90","","1469.88","","","","973.15","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","Cliffordite","- O9 Te3 U -","- O9 Te3 U -","- O72 Te24 U8 -","8","0.333333","","Galy, J.; Meunier, G.","A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure cristalline de UTe3O9 Sample: T = 700 C","Acta Crystallographica, Section B","1971","27","","608","616","10.1107/S0567740871002632","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011343","8.1184","","8.1184","","8.1184","","90","","90","","90","","535.071","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","Barium nitrate","Nitrobarite","- Ba N2 O6 -","- Ba N2 O6 -","- Ba4 N8 O24 -","4","0.166667","","Nowotny, H.; Heger, G.","Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","952","956","10.1107/S0108270183006976","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9011344","7.7813","","7.7813","","7.7813","","90","","90","","90","","471.147","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","","- N2 O6 Sr -","- N2 O6 Sr -","- N8 O24 Sr4 -","4","0.166667","","Nowotny, H.; Heger, G.","Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","952","956","10.1107/S0108270183006976","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9011442","12.314","","12.314","","12.314","","90","","90","","90","","1867.23","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","methylammonium aluminium alum","","","- C H30 Al N O20 S2 -","- C H30 Al N O20 S2 -","- C4 H120 Al4 N4 O80 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: neutron data","Zeitschrift fur Kristallographie","1981","157","3-4","147","166","10.1524/zkri.1981.157.3-4.147","","neutron","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011443","12.322","","12.322","","12.322","","90","","90","","90","","1870.87","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","methylammonium aluminium alum","","","- C H30 Al N O20 S2 -","- C H30 Al N O20 S2 -","- C4 H120 Al4 N4 O80 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data","Zeitschrift fur Kristallographie","1981","157","3-4","147","166","10.1524/zkri.1981.157.3-4.147","","x-ray","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"9011444","12.242","","12.242","","12.242","","90","","90","","90","","1834.67","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H28 N O20 S2 -","- Al H28 N O20 S2 -","- Al4 H112 N4 O80 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Locality: synthetic Sample: X-ray data","Zeitschrift fur Kristallographie","1981","157","3-4","147","166","10.1524/zkri.1981.157.3-4.147","","x-ray","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"9011580","14.04078","","14.04078","","14.04078","","90","","90","","90","","2768.05","","","","5","","","","","","","","Synthetic","1","P a -3","-P 2ac 2ab 3","205","","","Buckminsterfullerene","- C60 -","- C60 -","- C240 -","4","0.166667","","David, W. I. F.; Ibberson, R. M.; Matthewman, J. C.; Prassides, K.; Dennis, T. J. S.; Hare, J. P.; Kroto, H. W.; Taylor, R.; Walton, D. R. M.","Crystal structure and bonding of ordered C60 Sample: at T = 5 K Note: phase: carbon C60","Nature","1991","353","","147","149","10.1038/353147a0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012266","5.479","","5.479","","5.479","","90","","90","","90","","164.477","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Ni P1.86 Se0.14 -","- Ni P1.86 Se0.14 -","- Ni4 P7.44 Se0.56 -","4","0.166667","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012267","5.901","","5.901","","5.901","","90","","90","","90","","205.483","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","Penroseite","- Ni P0.24 Se1.76 -","- Ni P0.24 Se1.76 -","- Ni4 P0.96 Se7.04 -","4","0.166667","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012341","6.391","","6.391","","6.391","","90","","90","","90","","261.04","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Te2 -","- Ru Te2 -","- Ru4 Te8 -","4","0.166667","","Lutz, H. D.; Jung, M.; Waschenbach, G.","Kristallstrukturen des lollingits FeAs2 und des pyrits RuTe2","Zeitschrift fur Anorganische und Allgemeine Chemie","1987","554","","87","91","10.1002/zaac.19875541110","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012345","6.7014","","6.7014","","6.7014","","90","","90","","90","","300.952","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Insizwaite","- Bi2 Pt -","- Bi2 Pt -","- Bi8 Pt4 -","4","0.166667","","Brese, N. E.; von Schnering, H. G.","Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2","Zeitschrift fur Anorganische und Allgemeine Chemie","1994","620","","393","404","10.1002/zaac.19946200302","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012346","5.979","","5.979","","5.979","","90","","90","","90","","213.74","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- As2 Pd -","- As2 Pd -","- As8 Pd4 -","4","0.166667","","Brese, N. E.; von Schnering, H. G.","Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2","Zeitschrift fur Anorganische und Allgemeine Chemie","1994","620","","393","404","10.1002/zaac.19946200302","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012347","6.464","","6.464","","6.464","","90","","90","","90","","270.087","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Pd Sb2 -","- Pd Sb2 -","- Pd4 Sb8 -","4","0.166667","","Brese, N. E.; von Schnering, H. G.","Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2","Zeitschrift fur Anorganische und Allgemeine Chemie","1994","620","","393","404","10.1002/zaac.19946200302","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012348","6.4423","","6.4423","","6.4423","","90","","90","","90","","267.376","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Geversite","- Pt Sb2 -","- Pt Sb2 -","- Pt4 Sb8 -","4","0.166667","","Brese, N. E.; von Schnering, H. G.","Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2","Zeitschrift fur Anorganische und Allgemeine Chemie","1994","620","","393","404","10.1002/zaac.19946200302","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012406","5.935","","5.935","","5.935","","90","","90","","90","","209.056","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Se2 -","- Ru Se2 -","- Ru4 Se8 -","4","0.166667","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012407","5.946","","5.946","","5.946","","90","","90","","90","","210.22","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Os Se2 -","- Os Se2 -","- Os4 Se8 -","4","0.166667","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012408","5.9665","","5.9665","","5.9665","","90","","90","","90","","212.402","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Sperrylite","- As2 Pt -","- As2 Pt -","- As8 Pt4 -","4","0.166667","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012409","5.968","","5.968","","5.968","","90","","90","","90","","212.562","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Sperrylite","- As2 Pt -","- As2 Pt -","- As8 Pt4 -","4","0.166667","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012502","5.77","","5.77","","5.77","","90","","90","","90","","192.1","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Krutovite","- As2 Ni -","- As2 Ni -","- As8 Ni4 -","4","0.166667","","Munson, R. A.","The synthesis of iridium disulfide and nickel diarsenide having the pyrite structure Locality: synthetic","Inorganic Chemistry","1968","7","","389","390","10.1021/ic50060a047","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012503","5.4706","","5.4706","","5.4706","","90","","90","","90","","163.721","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Negevite","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.166667","","Donohue, P. C.; Bither, T. A.; Young, H. S.","High-pressure synthesis of pyrite-type nickel diphosphide and nickel diarsenide Locality: synthetic","Inorganic Chemistry","1968","7","","998","1001","10.1021/ic50063a031","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012536","5.8593","","5.8593","","5.8593","","90","","90","","90","","201.158","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Trogtalite","- Co Se2 -","- Co Se2 -","- Co4 Se8 -","4","0.166667","","Furuseth, S.; Kjekshus, A.; Andresen, A. F.","On the magnetic properties of CoSe2, NiS2, and NiSe2","Acta Chemica Scandinavica","1969","23","","2325","2334","10.3891/acta.chem.scand.23-2325","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012537","5.9629","","5.9629","","5.9629","","90","","90","","90","","212.018","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Penroseite","- Ni Se2 -","- Ni Se2 -","- Ni4 Se8 -","4","0.166667","","Furuseth, S.; Kjekshus, A.; Andresen, A. F.","On the magnetic properties of CoSe2, NiS2, and NiSe2","Acta Chemica Scandinavica","1969","23","","2325","2334","10.3891/acta.chem.scand.23-2325","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012538","5.6873","","5.6873","","5.6873","","90","","90","","90","","183.958","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Vaesite","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Furuseth, S.; Kjekshus, A.; Andresen, A. F.","On the magnetic properties of CoSe2, NiS2, and NiSe2","Acta Chemica Scandinavica","1969","23","","2325","2334","10.3891/acta.chem.scand.23-2325","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012882","6.683","","6.683","","6.683","","90","","90","","90","","298.479","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Insizwaite","- Bi2 Pt -","- Bi2 Pt -","- Bi8 Pt4 -","4","0.166667","","Wallbaum, H. J.","Die kristallstrukturen von Bi2Pt und Sn2Pt","Zeitschrift fur Metallkunde","1943","35","","200","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013069","5.416","","5.416","","5.416","","90","","90","","90","","158.868","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.","Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-free pyrite","International Journal of Coal Geology","2007","71","","115","121","10.1016/j.coal.2006.07.003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013070","5.428","","5.428","","5.428","","90","","90","","90","","159.926","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- As0.026 Fe S1.974 -","- As0.026 Fe S1.974 -","- As0.104 Fe4 S7.896 -","4","0.166667","","Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.","Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-pyrite","International Journal of Coal Geology","2007","71","","115","121","10.1016/j.coal.2006.07.003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013071","5.429","","5.429","","5.429","","90","","90","","90","","160.015","","","","","","","","","","","","Dul CSA mine, North Bohemian Basin, Czech Republic","3","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- As0.54 Fe S1.46 -","- As0.54 Fe S1.46 -","- As2.16 Fe4 S5.84 -","4","0.166667","","Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.","Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: natural As-pyrite","International Journal of Coal Geology","2007","71","","115","121","10.1016/j.coal.2006.07.003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013926","6.4162","","6.4162","","6.4162","","90","","90","","90","","264.14","","","","","","","","5520000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Nantokite","- Cl Cu -","- Cl8 Cu8 -","- Cl8 Cu8 -","","","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.52 GPa Note: known as CuCl-IV","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013927","6.3104","","6.3104","","6.3104","","90","","90","","90","","251.287","","","","","","","","9240000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Nantokite","- Cl Cu -","- Cl8 Cu8 -","- Cl8 Cu8 -","","","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 9.24 GPa Note: known as CuCl-IV","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013933","6.7378","","6.7378","","6.7378","","90","","90","","90","","305.882","","","","","","","","5080000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Br Cu -","- Br8 Cu8 -","- Br8 Cu8 -","","","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-V","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013934","6.6674","","6.6674","","6.6674","","90","","90","","90","","296.394","","","","","","","","7290000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Br Cu -","- Br8 Cu8 -","- Br8 Cu8 -","","","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 7.29 GPa Note: known as CuBr-V","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9014032","6.7022","","6.7022","","6.7022","","90","","90","","90","","301.059","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Insizwaite","- Bi2 Pt -","- Bi8 Pt4 -","- Bi8 Pt4 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014087","11.2506","","11.2506","","11.2506","","90","","90","","90","","1424.06","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","","- Cl6 Co Fe H18 N6 -","- Cl24 Co4 Fe4 H72 N24 -","- Cl24 Co4 Fe4 H72 N24 -","","","","Beattie, J. K.; Moore, C. J.","Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III)","Inorganic Chemistry","1982","21","","1292","1295","10.1021/ic00134a002","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014218","5.9855","","5.9855","","5.9855","","90","","90","","90","","214.438","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- As2 Pd -","- As8 Pd4 -","- As8 Pd4 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014255","12.157","","12.157","","12.157","","90","","90","","90","","1796.71","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Alum-(K)","- Al H24 K1.3 O20 S2 -","- Al H24 K1.3 O20 S2 -","- Al4 H96 K5.2 O80 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014306","6.6583","","6.6583","","6.6583","","90","","90","","90","","295.182","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Aurostibite","- Au Sb2 -","- Au4 Sb8 -","- Au4 Sb8 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014377","5.57","","5.57","","5.57","","90","","90","","90","","172.809","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Laurite","- Ru S2 -","- Ru4 S8 -","- Ru4 S8 -","","","","Oftedal, I.","Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit","Zeitschrift fur Physikalische Chemie","1928","135","","291","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014395","5.9336","","5.9336","","5.9336","","90","","90","","90","","208.908","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Se2 -","- Ru4 Se8 -","- Ru4 Se8 -","","","","Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.","Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2","Acta Crystallographica, Section C","1990","46","","2003","2005","10.1107/S0108270190001925","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014423","6.4584","","6.4584","","6.4584","","90","","90","","90","","269.386","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- Pd Sb2 -","- Pd4 Sb8 -","- Pd4 Sb8 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2","Acta Chemica Scandinavica","1967","21","","527","536","10.3891/acta.chem.scand.21-0527","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014753","6.636","","6.636","","6.636","","90","","90","","90","","292.226","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Aurostibite","- Ru S2 -","- Ru4 S8 -","- Ru4 S8 -","","","","Oftedal, I.","Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit","Zeitschrift fur Physikalische Chemie","1928","135","","291","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014758","6.943","","6.943","","6.943","","90","","90","","90","","334.689","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Mn Te2 -","- Mn4 Te8 -","- Mn4 Te8 -","","","","Oftedal, I.","Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit","Zeitschrift fur Physikalische Chemie","1928","135","","291","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014776","5.9855","","5.9855","","5.9855","","90","","90","","90","","214.438","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- As2 Pd -","- As8 Pd4 -","- As8 Pd4 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2","Acta Chemica Scandinavica","1967","21","","527","536","10.3891/acta.chem.scand.21-0527","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014781","12.243","","12.243","","12.243","","90","","90","","90","","1835.12","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Alum-(Na)","- Al H24 O20 Rb S2 -","- Al H24 O20 Rb S2 -","- Al4 H96 O80 Rb4 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015002","5.6956","","5.6956","","5.6956","","90","","90","","90","","184.764","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- P2 Pt -","- P8 Pt4 -","- P8 Pt4 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2","Acta Chemica Scandinavica","1967","21","","527","536","10.3891/acta.chem.scand.21-0527","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015533","6.44","","6.44","","6.44","","90","","90","","90","","267.09","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Geversite","- Pt Sb2 -","- Pt4 Sb8 -","- Pt4 Sb8 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2","Acta Chemica Scandinavica","1967","21","","527","536","10.3891/acta.chem.scand.21-0527","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015563","5.6956","","5.6956","","5.6956","","90","","90","","90","","184.764","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- P2 Pt -","- P8 Pt4 -","- P8 Pt4 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015736","5.64","","5.64","","5.64","","90","","90","","90","","179.406","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Erlichmanite","- Os S2 -","- Os4 S8 -","- Os4 S8 -","","","","Oftedal, I.","Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit","Zeitschrift fur Physikalische Chemie","1928","135","","291","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015842","5.414","","5.414","","5.414","","90","","90","","90","","158.692","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Pyrite","- Fe S2 -","- Fe4 S8 -","- Fe4 S8 -","","","","Oftedal, I.","Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit","Zeitschrift fur Physikalische Chemie","1928","135","","291","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015863","6.4584","","6.4584","","6.4584","","90","","90","","90","","269.386","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","","- Pd Sb2 -","- Pd4 Sb8 -","- Pd4 Sb8 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016130","5.9665","","5.9665","","5.9665","","90","","90","","90","","212.402","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Sperrylite","- As2 Pt -","- As8 Pt4 -","- As8 Pt4 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016346","12.24","","12.24","","12.24","","90","","90","","90","","1833.77","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H24 N O20 S2 -","- Al H24 N O20 S2 -","- Al4 H96 N4 O80 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016356","5.6106","","5.6106","","5.6106","","90","","90","","90","","176.615","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Laurite","- Ru S2 -","- Ru4 S8 -","- Ru4 S8 -","","","","Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.","Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2","Acta Crystallographica, Section C","1990","46","","2003","2005","10.1107/S0108270190001925","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016376","6.44","","6.44","","6.44","","90","","90","","90","","267.09","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Geversite","- Pt Sb2 -","- Pt4 Sb8 -","- Pt4 Sb8 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2","Acta Chemica Scandinavica","1965","19","","735","741","10.3891/acta.chem.scand.19-0735","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016654","5.9665","","5.9665","","5.9665","","90","","90","","90","","212.402","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Sperrylite","- As2 Pt -","- As8 Pt4 -","- As8 Pt4 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2","Acta Chemica Scandinavica","1967","21","","527","536","10.3891/acta.chem.scand.21-0527","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016730","6.6583","","6.6583","","6.6583","","90","","90","","90","","295.182","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Aurostibite","- Au Sb2 -","- Au4 Sb8 -","- Au4 Sb8 -","","","","Furuseth, S.; Selte, K.; Kjekshus, A.","On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2","Acta Chemica Scandinavica","1967","21","","527","536","10.3891/acta.chem.scand.21-0527","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017147","12.203","","12.203","","12.203","","90","","90","","90","","1817.19","","","","","","","","","","","","Fornovolasco mine, Apuan Alps, Italy","7","P a -3","-P 2ac 2ab 3","205","","","Alum-(K)","- Al0.877 Fe0.123 H24 K0.879 O20 S2 Tl0.121 -","- Al0.877 Fe0.123 H24 K0.879 O20 S2 Tl0.121 -","- Al3.508 Fe0.492 H96 K3.516 O80 S8 Tl0.484 -","4","0.166667","","Biagioni, C.; Mauro, D.; Pasero, M.; Bonaccorsi, E.; Lepore, G. O.; Zaccarini, F.; Skogby, H.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex","American Mineralogist","2020","105","","1088","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017150","5.788","","5.788","","5.788","","90","","90","","90","","193.903","","","","","","","","","","","","Onverwacht mine, Transvaal","7","P a -3","-P 2ac 2ab 3","205","","","Platarsite","- As1.02 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S0.98 -","- As4.08 Ir0.2 Os0.04 Pt1.4 Rh1.24 Ru1.16 S3.92 -","- As4.08 Ir0.2 Os0.04 Pt1.4 Rh1.24 Ru1.16 S3.92 -","","","","Szymanski, J. T.","The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2","The Canadian Mineralogist","1979","17","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:23",""
"9017362","12.242","","12.242","","12.242","","90","","90","","90","","1834.67","","","","","","","","","","","","Synthetic","6","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H24 N O12 Os8 S2 -","- Al H24 N O12 Os8 S2 -","- Al4 H96 N4 O48 Os32 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data","Zeitschrift fur Kristallographie","1981","157","","147","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""