# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T05:47:08+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R -3 :R' 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
"1001180","6.2277","0.0009","6.2277","0.0009","6.2277","0.0009","99.01","0.01","99.01","0.01","99.01","0.01","231.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Hexaindium tungsten oxide","","- In6 O12 W -","- In6 O12 W -","- In6 O12 W -","1","0.166667","","Michel, D; Kahn, A","The Structure of Indium Tungstate In~6~ W O~12~: Its Relation with the Fluorite Structure","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1437","1441","10.1107/S0567740882006104","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001774","8.215","0.002","8.215","0.002","8.215","0.002","76.04","0.02","76.04","0.02","76.04","0.02","512.2","","","","","","","","","","","","synthetic from solution at 348 K","5","R -3 :R","-P 3*","148","","Calcium dimagnesium chloride dodecahydrate","Tachyhydrite","- Ca Cl6 H24 Mg2 O12 -","- Ca Cl6 H24 Mg2 O12 -","- Ca Cl6 H24 Mg2 O12 -","1","0.166667","","Leclaire, A; Borel, M M; Monier, J C","Structure de la tachydrite","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2734","2735","10.1107/S0567740880009806","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1004020","6","0.002","6","0.002","6","0.002","54.42","0.03","54.42","0.03","54.42","0.03","132.9","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Calcium trioxostannate","","- Ca O3 Sn -","- Ca O3 Sn -","- Ca2 O6 Sn2 -","2","0.333333","","Durand, B; Loiseleur, H","Crystal data for an ilmenite variety of calcium stannate Ca Sn O~3~","Journal of Applied Crystallography","1978","11","","289","290","","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004021","5.74","0.001","5.74","0.001","5.74","0.001","55.65","0.02","55.65","0.02","55.65","0.02","120.2","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Manganese tin(IV) oxide","","- Mn O3 Sn -","- Mn O3 Sn -","- Mn2 O6 Sn2 -","2","0.333333","","Durand, B; Diot, M; Mollard, P","Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~","Annales de Chimie (Paris) (Vol=Year)","1979","1979","","559","607","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004022","6","0.002","6","0.002","6","0.002","54.42","0.03","54.42","0.03","54.42","0.03","132.9","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Calcium tin(IV) oxide","","- Ca O3 Sn -","- Ca O3 Sn -","- Ca2 O6 Sn2 -","2","0.333333","","Durand, B; Diot, M; Mollard, P","Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~","Annales de Chimie (Paris) (Vol=Year)","1979","1979","","559","607","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008900","5.6447","0.0005","5.6447","0.0005","5.6447","0.0005","59.923","0.004","59.923","0.004","59.923","0.004","127","","","","","","","","","","","","synthetic","4","R -3 :R","-P 3*","148","","Dilead magnesiotellurate(VI)","Elpasolite","- Mg O6 Pb2 Te -","- Mg O6 Pb1.9998 Te -","- Mg O6 Pb1.9998 Te -","1","0.166667","","Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F","Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6","Journal of Physics: Condensed Matter","1998","10","","6461","6472","10.1088/0953-8984/10/29/006","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010026","5.45","","5.45","","5.45","","55.13","","55.13","","55.13","","101.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Nickel titanium oxide","","- Ni O3 Ti -","- Ni O3 Ti -","- Ni2 O6 Ti2 -","2","0.333333","","Posnjak, E; Barth, T F W","Notes on some structures of the Ilmenite type","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","271","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010027","5.82","","5.82","","5.82","","53.6","","53.6","","53.6","","118.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Cadmium titanium oxide - low temperature modification","","- Cd O3 Ti -","- Cd O3 Ti -","- Cd2 O6 Ti2 -","2","0.333333","","Posnjak, E; Barth, T F W","Notes on some structures of the Ilmenite type","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","271","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010213","7.09","","7.09","","7.09","","96.75","","96.75","","96.75","","348.3","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Nickel hexachlorostannate hexahydrate","","- Cl6 H12 Ni O6 Sn -","- Cl6 H12 Ni O6 Sn -","- Cl6 H12 Ni O6 Sn -","1","0.166667","","Pauling, L","On the crystal structure of nickel chlorostannate hexahydrate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","72","","482","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010284","5.05","","5.05","","5.05","","40.03","","40.03","","40.03","","48","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sodium hydrogen fluoride","","- F2 H Na -","- F2 H Na -","- F2 H Na -","1","0.166667","","Andersen, C C; Hassel, O","Die Struktur des kristallisierten Natriumhydrofluorids und die Gestalt des Ions H F~2~^-^","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010566","6.814","","6.814","","6.814","","46.33","","46.33","","46.33","","151.1","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Potassium catena-antimonate","","- K O3 Sb -","- K O3 Sb -","- K2 O6 Sb2 -","2","0.333333","","Spiegelberg, P","X-Ray Studies on Potassium Antimonates","Arkiv foer Kemi, Mineralogi och Geologi, A","1940","14","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011033","5.52","","5.52","","5.52","","54.83","","54.83","","54.83","","104.6","","","","","","","","","","","","from Quincy, Massachusetts, U S A","3","R -3 :R","-P 3*","148","","Iron titanate","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe2 O6 Ti2 -","2","0.333333","","Barth, T F W; Posnjak, E","The Crystal Structure of Ilmenite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","265","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011150","10.31","","10.31","","10.31","","24.17","","24.17","","24.17","","161.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Bismuth tellurium sulfide (2/2/1)","Tetradymite","- Bi2 S Te2 -","- Bi2 S Te2 -","- Bi2 S Te2 -","1","0.166667","","Harker, D","The crystal structure of the mineral tetradymite, Bi2 Te2 S","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011226","7.684","","7.684","","7.684","","108.02","","108.02","","108.02","","366.8","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Diberyllium silicate","Phenakite","- Be2 O4 Si -","- Be0.333333 O4 Si -","- Be2 O24 Si6 -","6","1","","Bragg, L W","The structure of phenacite Be2 Si O4","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1927","113","","642","657","10.1098/rspa.1927.0013","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520987","10.291","","10.291","","10.291","","54.645","","54.645","","54.645","","674.495","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Cs2 Pb ((Ta Cl)6 Cl12)","","- Cl18 Cs2 Pb Ta6 -","- Cl18 Cs2 Pb Ta6 -","- Cl18 Cs2 Pb Ta6 -","1","0.166667","","Cordier, S.; Sergent, M.; Loisel, C.; Perrin, C.","Tantalum chlorides in octahedral cluster chemistry: the structures of Cs2 Pb Ta6 Cl18 and Cs Pb Ta6 Cl18","Journal of Solid State Chemistry","1999","147","","350","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521313","9.1878","","9.1878","","9.1878","","68.458","","68.458","","68.458","","646.373","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 Ti10.26 Ga9.63 O38","","- Ga9.63 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","1","0.166667","","Meden, A.; Skapin, S.; Kolar, D.","Crystal structure and powder data of davidite-type La2 Ti10.27 Ga9.63 O38","Powder Diffraction","1999","14","","36","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521458","6.778","","6.778","","6.778","","99.42","","99.42","","99.42","","297.189","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- Ce7 O12 -","- Ce7 O12 -","- Ce7 O12 -","1","0.166667","","Kuemmerle, E.A.; Heger, G.","The structures of C-(Ce2 O3+d), Ce7 O12 and Ce11 O20","Journal of Solid State Chemistry","1999","147","","485","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524854","6.548","","6.548","","6.548","","89.37","","89.37","","89.37","","280.703","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 Pb0.92 S4.25","","- Mo6 Pb0.92 S20 -","- Mo6 Pb0.92 S20 -","- Mo6 Pb0.92 S20 -","1","0.166667","","Marezio, M.; Dernier, P.D.; Corenzwit, E.; Remeika, J.P.; Matthias, B.T.","Superconductivity of ternary sulfides and the structure of Pb Mo6 S8","Materials Research Bulletin","1973","8","","657","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525071","6.503","","6.503","","6.503","","94.43","","94.43","","94.43","","272.405","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 S6 Br2","","- Br2 Mo6 S6 -","- Br2 Mo6 S6 -","- Br2 Mo6 S6 -","1","0.166667","","Perrin, C.; Chevrel, R.; Sergent, M.; Fischer, O.","Etude structurale d'un thiohalogenure supraconducteur derivant du Mo(II): Mo6 S6 Br2","Materials Research Bulletin","1979","14","","1505","1515","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525650","6.5079","","6.5079","","6.5079","","94.37","","94.37","","94.37","","273.094","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ni1.99 Mo6 (Se2.18 S5.82)","","- Mo6 Ni1.99 S5.82 Se2.18 -","- Mo6 Ni1.986 S5.82 Se2.18 -","- Mo6 Ni1.986 S5.82 Se2.18 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525651","6.5628","","6.5628","","6.5628","","94.055","","94.055","","94.055","","280.433","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ni1.85 Mo6 (Se3.46 S4.54)","","- Mo6 Ni1.85 S4.54 Se3.46 -","- Mo6 Ni1.848 S4.54 Se3.46 -","- Mo6 Ni1.848 S4.54 Se3.46 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525652","6.579","","6.579","","6.579","","93.875","","93.875","","93.875","","282.714","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ni1.82 Mo6 (Se4.11 S3.89)","","- Mo6 Ni1.82 S3.89 Se4.11 -","- Mo6 Ni1.818 S3.89 Se4.11 -","- Mo6 Ni1.818 S3.89 Se4.11 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525653","6.6313","","6.6313","","6.6313","","93.106","","93.106","","93.106","","290.272","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ni1.28 Mo6 (Se5.72 S2.28)","","- Mo6 Ni1.28 S2.28 Se5.72 -","- Mo6 Ni1.278 S2.28 Se5.72 -","- Mo6 Ni1.278 S2.28 Se5.72 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525654","6.7316","","6.7316","","6.7316","","91.183","","91.183","","91.183","","304.841","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Ni1.25 Mo6 Se8","","- Mo6 Ni1.25 Se8 -","- Mo6 Ni1.248 Se8 -","- Mo6 Ni1.248 Se8 -","1","0.166667","","Belin, S.; Chevrel, R.; Sergent, M.","Single crystal structural investigation on Niy Mo6 Se8-x Sx solid solution: a new location of nickel counterions","Journal of Solid State Chemistry","2000","155","","250","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525655","6.483","","6.483","","6.483","","93.59","","93.59","","93.59","","270.801","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6.41 Se2.24 S5.76","","- Mo6.41 S5.76 Se2.24 -","- Mo6.414 S5.76 Se2.24 -","- Mo6.414 S5.76 Se2.24 -","1","0.166667","","Belin, S.; Burel, L.; Chevrel, R.; Sergent, M.","Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system","Materials Research Bulletin","2000","35","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525656","6.553","","6.553","","6.553","","92.76","","92.76","","92.76","","280.386","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6.22 Se4.06 S3.94","","- Mo6.22 S3.94 Se4.06 -","- Mo6.216 S3.94 Se4.06 -","- Mo6.216 S3.94 Se4.06 -","1","0.166667","","Belin, S.; Burel, L.; Chevrel, R.; Sergent, M.","Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system","Materials Research Bulletin","2000","35","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525657","6.565","","6.565","","6.565","","93.11","","93.11","","93.11","","281.649","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6.3 Se4.16 S3.84","","- Mo6.3 S3.84 Se4.16 -","- Mo6.3 S3.84 Se4.16 -","- Mo6.3 S3.84 Se4.16 -","1","0.166667","","Belin, S.; Burel, L.; Chevrel, R.; Sergent, M.","Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system","Materials Research Bulletin","2000","35","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525658","6.603","","6.603","","6.603","","92.85","","92.85","","92.85","","286.783","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6.28 Se5.76 S2.24","","- Mo6.28 S2.24 Se5.76 -","- Mo6.282 S2.24 Se5.76 -","- Mo6.282 S2.24 Se5.76 -","1","0.166667","","Belin, S.; Burel, L.; Chevrel, R.; Sergent, M.","Self-molybdenum intercalation: stabilization of metastable pseudo-binary Chevrel phases in Mo6 Se8 - Mo6 S8 system","Materials Research Bulletin","2000","35","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1526056","6.0424","","6.0424","","6.0424","","60.178","","60.178","","60.178","","156.625","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ba Bi0.5 Sb0.5 O3","","- Ba Bi0.5 O3 Sb0.5 -","- Ba Bi0.5 O3 Sb0.5 -","- Ba2 Bi O6 Sb -","2","0.333333","","Fu, W.T.","A neutron powder diffraction study on Ba Bi0.5 Sb0.5 O3","Solid State Communications","2000","116","","461","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527363","11.769","","11.769","","11.769","","106.5","","106.5","","106.5","","1375.67","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Na12 Mg7 (S O4)13 (H2 O)15","","- H30 Mg7 Na12 O67 S13 -","- Mg7 Na12 O67 S13 -","- Mg7 Na12 O67 S13 -","1","0.166667","","Fang, J.H.; Robinson, P.D.","Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of Loeweite","American Mineralogist","1970","55","","378","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527445","9.148","","9.148","","9.148","","69.078","","69.078","","69.078","","644.398","","","","","","","","","","","","","7","R -3 :R","-P 3*","148","","Sr0.7 La0.1 Pb0.1 Ti13.6 Fe6.7 Mn0.7 O38","","- Fe6.7 La0.1 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.6 -","- Fe6.698 La0.1 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","- Fe6.698 La0.1 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","1","0.166667","","Grey, I.E.; White, J.S.jr.; Lloyd, D.J.","The structure of crichtonite and its relationship to senaite","American Mineralogist","1976","61","","1203","1212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527760","6.551","","6.551","","6.551","","89.33","","89.33","","89.33","","281.083","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Pb0.92 Mo6 S7.5","","- Mo6 Pb0.92 S7.5 -","- Mo6 Pb0.92 S7.5 -","- Mo6 Pb0.92 S7.5 -","1","0.166667","","Marezio, M.; Remeika, J.P.; Dernier, P.D.; Corenzwit, E.; Matthias, B.T.","Superconductivity of ternary sulfides and the structure of Pb Mo6 S8","Materials Research Bulletin","1973","8","","657","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529546","6.515","","6.515","","6.515","","89.6","","89.6","","89.6","","276.511","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sn (Mo6 S8)","","- Mo6 S8 Sn -","- Mo6 S8 Sn -","- Mo6 S8 Sn -","1","0.166667","","Alekseevskii, N.E.; Dobrovol'skii, N.M.; Kiosse, G.A.; Markus, M.M.; Malinovskii, T.I.; Radautsan, S.I.; Samus, D.P.","Structure and properties of Sn Mo6 S8 single crystals","Doklady Akademii Nauk SSSR","1978","242","","87","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529760","6.527","","6.527","","6.527","","89.7","","89.7","","89.7","","278.05","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sn Mo6 S8","","- Mo6 S8 Sn -","- Mo6 S8 Sn -","- Mo6 S8 Sn -","1","0.166667","","Chevrel, R.; Rossel, C.; Sergent, M.","The structure of Sn Mo6 S8 and the superconducting properties of the series Snx Mo6 S8 and My Snx Mo6 S8 (M = La, Ce, Pr, Eu, Gd, Ho, Lu, Y, In, U)","Journal of the Less-Common Metals","1980","72","","31","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530563","6.5063","","6.5063","","6.5063","","89.374","","89.374","","89.374","","275.375","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Yb Mo6 S8","","- Mo6 S8 Yb -","- Mo6 S8 Yb -","- Mo6 S8 Yb -","1","0.166667","","Pena, O.; Gougeon, P.; Sergent, M.; Horyn, R.","Growth of single crystals of the Yb Mo6 S8 phase and refinement of its crystal structure","Journal of the Less-Common Metals","1984","99","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530564","6.5531","","6.5531","","6.5531","","88.931","","88.931","","88.931","","281.265","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Eu Mo6 S8 -","- Eu0.998 Mo6 S8 -","- Eu0.998 Mo6 S8 -","1","0.166667","","Pena, O.; Horyn, R.; Padiou, J.; Geantet, C.; Gougeon, P.; Sergent, M.","Crystal structure and physical properties of Eu Mo6 S8 single crystals at ambient pressure","Journal of Solid State Chemistry","1986","63","","62","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530565","6.509","","6.509","","6.509","","88.83","","88.83","","88.83","","275.597","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ce Mo6 S8 -","- Ce0.978 Mo6 S8 -","- Ce0.978 Mo6 S8 -","1","0.166667","","Pena, O.; Padiou, J.; Horyn, R.; Potel, M.; Geantet, C.; Sergent, M.","Crystal growth, crystal structure and physical characterization of Ce Mo6 S8","Materials Research Bulletin","1987","22","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530864","10.554","","10.554","","10.554","","78.5","","78.5","","78.5","","1113.15","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Cu H6 (U Mo12 O42) (H2 O)12","","- Cu H30 Mo12 O54 U -","- Cu Mo12 O54 U -","- Cu Mo12 O54 U -","1","0.166667","","Tat'yanina, I.V.; Chernaya, T.S.; Gorchenkova, E.A.; Spitsyn, V.I.; Simonov, V.I.","Crystal structure of the U(IV) heteromolybdate Cu H6 (U Mo12 O42) (H2 O)12","Doklady Akademii Nauk SSSR","1979","247","","1162","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531725","6.704","","6.704","","6.704","","92.23","","92.23","","92.23","","300.599","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Co0.54 Mo6 Se8 -","- Co0.534 Mo6 Se8 -","- Co0.534 Mo6 Se8 -","1","0.166667","","Mancour-Billah, A.; Chevrel, R.","A new increasing delocalization of M = 3d-elements (Ti, Fe, Co) in the channels network of the ternary My Mo6 Se8 Chevrel phases","Journal of Solid State Chemistry","2003","170","","281","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531991","9.442","","9.442","","9.442","","94.65","","94.65","","94.65","","832.974","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1","","Poulet, G.; Tuel, A.; Sautet, P.","Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principles calculations","J. Phys. Chem. B","2002","106","","8599","8608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532790","5.47456","","5.47456","","5.47456","","60.6712","","60.6712","","60.6712","","117.778","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 (Ni Mn O6)","","- La2 Mn Ni O6 -","- La2 Mn Ni O6 -","- La2 Mn Ni O6 -","1","0.166667","","Bull, C.L.; Gleeson, D.; Knight, K.S.","Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6","Journal of Physics: Condensed Matter","2003","15","","4927","4936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532794","5.487977","","5.487977","","5.487977","","60.7239","","60.7239","","60.7239","","118.784","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 (Co Mn O6)","","- Co La2 Mn O6 -","- Co La2 Mn O6 -","- Co La2 Mn O6 -","1","0.166667","","Bull, C.L.; Gleeson, D.; Knight, K.S.","Determination of B-site ordering and structural transformations in the mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6","Journal of Physics: Condensed Matter","2003","15","","4927","4936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533209","5.60087","","5.60087","","5.60087","","60.2585","","60.2585","","60.2585","","124.964","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Sr La Cu Ru O6","","- Cu La O6 Ru Sr -","- Cu La O6 Ru Sr -","- Cu La O6 Ru Sr -","1","0.166667","","Gateshki, M.; Igartua, J.M.","Crystal structures and phase transitions of the double perovskite oxides Sr La Cu Ru O6 and Sr La Ni Ru O6","Materials Research Bulletin","2003","38","","1893","1900","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534160","7.2","","7.2","","7.2","","92.4","","92.4","","92.4","","372.237","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","(Mg (H2 O)6) (Te Cl6)","","- Cl6 H12 Mg O6 Te -","- Cl6 Mg O6 Te -","- Cl6 Mg O6 Te -","1","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",""
"1534272","5.84","","5.84","","5.84","","61.2","","61.2","","61.2","","144.641","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Na2 (Sn (O H)6)","","- H6 Na2 O6 Sn -","- H6 Na2 O6 Sn -","- H6 Na2 O6 Sn -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1534273","5.68","","5.68","","5.68","","70.1","","70.1","","70.1","","156.708","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K2 (Sn (O H)6)","","- H6 K2 O6 Sn -","- H6 K2 O6 Sn -","- H6 K2 O6 Sn -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1534274","5.65","","5.65","","5.65","","69","","69","","69","","151.629","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K2 (Pt (O H)6)","","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","1","0.166667","","Bjoerling, C.O.","The crystal structure of potassium hydroxostannate and some related compounds.","Arkiv foer Kemi, Mineralogi och Geologi, B","1942","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1534413","9.204","","9.204","","9.204","","68.65","","68.65","","68.65","","651.825","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Ca2 (Zn4 Ti16 O38)","","- Ca2 O38 Ti16 Zn4 -","- Ca2 O38 Ti16.0002 Zn3.9998 -","- Ca2 O38 Ti16.0002 Zn3.9998 -","1","0.166667","","Gatehouse, B.M.; Grey, I.E.","The crystal structure of Ca2 Zn4 Ti16 O38","Journal of Solid State Chemistry","1983","46","","151","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534780","8.595","","8.595","","8.595","","52.23","","52.23","","52.23","","367.012","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K4 (Ru (N O2)6)","","- K4 N6 O12 Ru -","- K4 N6 O12 Ru -","- K4 N6 O12 Ru -","1","0.166667","","Gromilov, S.A.; Emel'yanov, V.A.; Baidina, I.A.; Alekseev, V.I.; Belyaev, A.V.","Synthesis and crystal structure of lithium and potassium hexanitroruthenates(II)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1994","35","","171","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534788","6.632","","6.632","","6.632","","94.78","","94.78","","94.78","","288.473","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Cu2.1 Mo6 Se3.5 S4.5","","- Cu2.1 Mo6 S4.5 Se3.5 -","- Cu2.16 Mo6 S4.48 Se3.52 -","- Cu2.16 Mo6 S4.48 Se3.52 -","1","0.166667","","Selwyn, L.S.; McKinnon, W.R.; le Page, Y.","Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","42","","10427","10432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534790","6.521","","6.521","","6.521","","91.92","","91.92","","91.92","","276.818","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 (Se3.6 S4.4)","","- Mo6 S4.4 Se3.6 -","- Mo6 S4.38 Se3.62 -","- Mo6 S4.38 Se3.62 -","1","0.166667","","Selwyn, L.S.; McKinnon, W.R.; le Page, Y.","Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","42","","10427","10432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534793","6.606","","6.606","","6.606","","93.22","","93.22","","93.22","","286.862","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","In Mo6 Se3.5 S4.5","","- In Mo6 S4.5 Se3.5 -","- In1.002 Mo6 S4.46 Se3.54 -","- In1.002 Mo6 S4.46 Se3.54 -","1","0.166667","","Selwyn, L.S.; McKinnon, W.R.; le Page, Y.","Chalcogen rearrangement in the Chevrel compound In Mo6 Sez S8-z at 500 degrees C","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","42","","10427","10432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534958","7.6998","","7.6998","","7.6998","","55.787","","55.787","","55.787","","291.257","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","Sb (N3)3","","- N9 Sb -","- N9 Sb -","- N18 Sb2 -","2","0.333333","","Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O.","First structural characterization of binary As(III) and Sb(III) azides","Chemistry - A European Journal","2004","10","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535105","8.818","","8.818","","8.818","","112.9","","112.9","","112.9","","448.523","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","Cu6 (Si6 O18) (H2 O)6","","- Cu6 H12 O24 Si6 -","- Cu6 H12 O24 Si6 -","- Cu6 H12 O24 Si6 -","1","0.166667","","Belokoneva, E.L.; Smirnitskaya, Yu.Ya.; Tsirel'son, V.G.","Distribution of electron density in dioptase as the result of precisional X-ray diffraction study.","Zhurnal Neorganicheskoi Khimii","1992","37","","1588","1596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535271","5.443","","5.443","","5.443","","55.12","","55.12","","55.12","","101.085","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Ni (Ti O3)","","- Ni O3 Ti -","- Ni O3 Ti -","- Ni2 O6 Ti2 -","2","0.333333","","Sullivan, D.C.; Pavlovic, A.S.","Crystal structure determination of nickel and cobalt titanate","Proceedings of the West Virginia Academy of Science","1962","34","","173","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535275","5.486","","5.486","","5.486","","54.83","","54.83","","54.83","","102.695","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Co (Ti O3)","","- Co O3 Ti -","- Co O3 Ti -","- Co2 O6 Ti2 -","2","0.333333","","Sullivan, D.C.; Pavlovic, A.S.","Crystal structure determination of nickel and cobalt titanate","Proceedings of the West Virginia Academy of Science","1962","34","","173","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539090","5.538","","5.538","","5.538","","54.68","","54.68","","54.68","","105.215","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Fe (Ti O3)","","- Fe O3 Ti -","- Fe O3 Ti -","- Fe2 O6 Ti2 -","2","0.333333","","Shirane, G.; Pickart, S.J.; Nathans, R.; Ishikawa, Y.","Neutron-diffraction study of antiferromagnetic Fe Ti O3 and its solid solutions with alpha-Fe2 O3","Journal of Physics and Chemistry of Solids","1959","10","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539515","13.117","","13.117","","13.117","","49.34","","49.34","","49.34","","1193.38","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Mg3 Eu2 (N O3)12 (H2 O)24","","- Eu2 H48 Mg3 N12 O60 -","- Eu2 Mg3 N12 O60 -","- Eu2 Mg3 N12 O60 -","1","0.166667","","Akimov, V.M.; Yanovskii, A.I.; Novikov, N.K.; Struchkov, Yu.T.; Grigor'ev, Yu.A.; Molodkin, A.K.","The crystal structure of magnesium europium nitrate-24-water Mg3 Eu2 (N O3)12 (H2 O)24","Zhurnal Neorganicheskoi Khimii","1987","32","","1547","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540303","6.563","","6.563","","6.563","","88.998","","88.998","","88.998","","282.56","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sr (Mo6 S8)","","- Mo6 S8 Sr -","- Mo6 S8 Sr -","- Mo6 S8 Sr -","1","0.166667","","Koppelhuber-Bitschnau, B.; Mautner, F.A.; Yvon, K.","Low-temperature structural phase transition in Sr Mo6 S8 studied by x-tay powder diffraction","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1990","121","","505","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540953","6.552","","6.552","","6.552","","94.42","","94.42","","94.42","","278.622","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 S5.96 I1.76","","- I1.76 Mo6 S5.96 -","- I1.76 Mo6 S5.958 -","- I1.76 Mo6 S5.958 -","1","0.166667","","Shamrai, V.F.; Leitus, G.M.; Musatenko, A.Yu.","Crystal structure of Mo6 S6 I2","Kristallografiya","1988","33","","1289","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541189","5.227","","5.227","","5.227","","96.501","","96.501","","96.501","","139.825","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Cs (Br F6)","","- Br Cs F6 -","- Br Cs F6 -","- Br Cs F6 -","1","0.166667","","Mahjoub, A.R.; Seppelt, K.; Hoser, A.; Fuchs, J.","Die Struktur von Br F6(-) und verwandten Verbindungen","Angewandte Chemie (German Edition)","1989","101","","1528","1529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1548908","9.609","0.0017","9.609","0.0017","9.609","0.0017","94.46","0.03","94.46","0.03","94.46","0.03","878.7","0.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1","SP5002","Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter","Electron crystallography with the EIGER detector","IUCrJ","2018","5","2","190","199","10.1107/S2052252518000945","","","0.02508","","","0.2532","0.2225","","","0.4999","0.5177","","","","","","1.304","","","","has coordinates","206765","2020-10-21","18:00:00",""
"1566637","7.78","0.01","7.78","0.01","7.78","0.01","113.1","0.2","113.1","0.2","113.1","0.2","304","2","","","","","","","","","","","","2","R -3 :R","-P 3*","148","ice II","","","- D2 O -","- D2 O -","- D24 O12 -","12","2","","Kamb, B.; Hamilton, W.C.; LaPlaca, S.J.; Prakash, A.","Ordered Proton Configuration in Ice II, from Single - Crystal Neutron Diffraction","The Journal of Chemical Physics","1971","55","","1934","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273831","2022-03-20","03:25:56",""
"2000149","9.087","0.003","9.087","0.003","9.087","0.003","115.73","0.03","115.73","0.03","115.73","0.03","390.6","0.8","","","","","","","","","","","","4","R -3 :R","-P 3*","","","","","- C Ag N O -","- C Ag N O -","- C6 Ag6 N6 O6 -","6","1","CR0363","Britton, D.","A redetermination of the trigonal silver fulminate structure","Acta Crystallographica Section C","1991","47","12","2646","2647","10.1107/S0108270191008855","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005021","11.354","0.005","11.354","0.005","11.354","0.005","107.21","0.05","107.21","0.05","107.21","0.05","1211.9","1.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","3,7,10-tribenzyl-3,7,10-triaza[3.3.3]propellane","","","- C29 H33 N3 -","- C29 H33 N3 -","- C58 H66 N6 -","2","0.333333","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.085","0.0544","","0.1357","0.1153","","","","1.131","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007485","18.618","0.002","18.618","0.002","18.618","0.002","118.34","0.01","118.34","0.01","118.34","0.01","2141","4","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","2-(4-nitroanilino)-phenethylalcohol","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C84 H84 N12 O18 -","6","1","SK1162","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","2-(4-Nitroanilino)-2-phenylethanol","Acta Crystallographica Section C","1998","54","7","955","957","10.1107/S0108270198001826","","","0.71073","MoKα","","0.1029","0.0446","","0.1246","0.1092","","","","0.798","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008611","7.507","0.001","7.507","0.001","7.507","0.001","92.29","0.02","92.29","0.02","92.29","0.02","422.02","0.1","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","Sodium iodide tris(1,4-dioxane)","","","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","1","0.166667","QA0095","Belsky, Vitaly K.; Maslennikova, Vera I.","Sodium tris(1,4-dioxane) iodide","Acta Crystallographica Section C","1999","55","6","IUC9900057","","10.1107/S0108270199099370","","","0.71073","MoKα","","0.022","0.022","","","","0.063","","","","","","1.108","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2010110","12.218","0.002","12.218","0.002","12.218","0.002","86.01","0.01","86.01","0.01","86.01","0.01","1811.2","0.5","293","2","293","2","","","","","","","","7","R -3 :R","-P 3*","148","","Bis[tris(2,2'-bipyridine)nickel(II)] tris(dicyanoargentate(I) chloride nonahydrate","","- C66 H66 Ag3 Cl N18 Ni2 O9 -","- C66 H48 Ag3 Cl0.96 N18 Ni2 O9 -","- C66 H48 Ag3 Cl0.96 N18 Ni2 O9 -","1","0.166667","KA1082","Černák, Juraj; Kaňuchová, Mária; Chomič, Jozef; Potočňák, Ivan; Kameníček, Jiří; Žák, Zdirad","Bis[tris(bipyridine)nickel(II)] tris[dicyanoargentate(I)] chloride <i>n</i>-hydrate (<i>n</i> = 9)","Acta Crystallographica Section C","1994","50","10","1563","1566","10.1107/S0108270194005500","","","0.71069","MoKα","","0.1168","0.0383","","0.1318","0.1121","","","","0.943","1.164","1.164","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100704","6.6695","","6.6695","","6.6695","","113.838","","113.838","","113.838","","182.39","","","","293","","","","","","","","","2","R -3 :R","-P 3*","148","Ni4Ti3","Ni4Ti3","","- Ni4 Ti3 -","- Ni8 Ti6 -","- Ni8 Ti6 -","","","LC5049","Tirry, Wim; Schryvers, Dominique; Jorissen, Kevin; Lamoen, Dirk","Electron-diffraction structure refinement of Ni~4~Ti~3~ precipitates in Ni~52~Ti~48~","Acta Crystallographica Section B","2006","62","6","966","971","10.1107/S0108768106036457","","","0.0196875","monochromatic","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103405","28.042","","28.042","","28.042","","118.64","","118.64","","118.64","","6636.45","","","","","","","","","","","","","4","R -3 :R","P 3* 2","148","","","","- C62 H70 N8 O6 -","- C62 N8 O6 -","- C186 N24 O18 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199474","2020-10-21","18:00:00",""
"2105387","8.148","","8.148","","8.148","","113.45","","113.45","","113.45","","341.64","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Au Cl O -","- Au Cl O -","- Au6 Cl6 O6 -","6","1","","Rumpel, H.; Schwarzmann, E.; Jones, P.G.; Sheldrick, G.M.","Gold(III) chloride oxide","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2380","2381","10.1107/S0567740879009365","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105410","6.151","","6.151","","6.151","","91.8","","91.8","","91.8","","232.37","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","B3 N3 Cl6","","- B3 Cl6 N3 -","- B3 Cl6 N3 -","- B3 Cl6 N3 -","1","0.166667","","Mueller, U.","Die Kristallstruktur von Hexachloroborazol","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1997","2003","10.1107/S0567740871005235","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2106254","6.612","","6.612","","6.612","","62.27","","62.27","","62.27","","214.759","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","(N H4) (Sn F3)","","- F3 H4 N Sn -","- F3 H4 N Sn -","- F6 H8 N2 Sn2 -","2","0.333333","","Bergerhoff, G.; Namgung, H.","Ammonium-trifluorostannat(II)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","699","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106261","8.959","","8.959","","8.959","","74.7","","74.7","","74.7","","654.27","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- Mn0.83 Si0.11 -","- Mn0.832075 Si0.109113 -","- Mn44.1 Si5.783 -","53","8.83333","","Brink-Shoemaker, C.; Shoemaker, D.P.","Refinement of an R phase, Mn85.5 Si14.5","Acta Crystallographica B (24,1968-38,1982)","1978","34","","701","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106384","7.912","","7.912","","7.912","","109.241","","109.241","","109.241","","384.489","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mn (S O3)","","- Mn O3 S -","- Mn O3 S -","- Mn6 O18 S6 -","6","1","","Magnusson, A.; Johansson, L.G.","Rhombohedral manganese(II) sulfite","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1400","1401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106831","5.668","","5.668","","5.668","","77.01","","77.01","","77.01","","169.954","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","(N H4)2 (Pt (O H)6)","","- H14 N2 O6 Pt -","- H14 N2 O6 Pt -","- H14 N2 O6 Pt -","1","0.166667","","Bandel, G.; Platte, C.; Troemel, M.","Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1544","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106832","5.658","","5.658","","5.658","","69.04","","69.04","","69.04","","152.371","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","K2 (Pt (O H)6)","","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","- H6 K2 O6 Pt -","1","0.166667","","Bandel, G.; Platte, C.; Troemel, M.","Ammonium-hexahydroxoplatinat(IV) und Strukturverfeinerung fuer Kalium-hexahydroxoplatinat(IV)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1544","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2107175","18.225","","18.225","","18.225","","30.515","","30.515","","30.515","","1383.53","","","","","","","","","","","","","6","R -3 :R","-P 3*","148","","K3 (K0.333 (H2 O)0.667)6 Na2 (Na0.38 (H3 O)0.12 (H2 O)0.5)6 Fe6 O2 (S O4)12 (H2 O)6","","- Fe6 H28.164 K4.998 Na4.28 O63.722 S12 -","- Fe6 K4.998 Na4.28 O63.722 S12 -","- Fe6 K4.998 Na4.28 O63.722 S12 -","1","0.166667","","Scordari, F.","The structure of K3 (K.333 (H2 O).667)6 Na2 (Na.38 (H3 O).12 (H2 O).50)6 Fe6 O2 (S O4)12 (H2 O)6 and its relationship with the parent compound","Acta Crystallographica B (24,1968-38,1982)","1981","37","","312","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107420","8.7094","","8.7094","","8.7094","","90.265","","90.265","","90.265","","660.619","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Ba2 Bi (Bi O6)","","- Ba2 Bi2 O6 -","- Ba2 Bi2 O6 -","- Ba8 Bi8 O24 -","4","0.666667","","Cox, D.E.; Sleight, A.W.","Mixed-valent Ba2 Bi(III) Bi(V) O6: Structure and properties vs temperature","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2205514","14.251","0.0012","14.251","0.0012","14.251","0.0012","116.402","0.007","116.402","0.007","116.402","0.007","1391","0.8","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","","Potassium ethane-1,1-bis(diazeniumdiolate) monohydrate","","- C2 H6 K2 N4 O5 -","- C2 H6 K2 N4 O5 -","- C12 H36 K12 N24 O30 -","6","1","HK6000","Arulsamy, Navamoney; Bohle, D. Scott","Dipotassium ethane-1,1-diylbis(diazeniumdiolate) monohydrate","Acta Crystallographica Section E","2005","61","4","m764","m766","10.1107/S1600536805008822","","","0.71073","MoKα","","0.0472","0.0329","","","0.0772","0.0838","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209159","9.3282","0.0002","9.3282","0.0002","9.3282","0.0002","113.456","0.0002","113.456","0.0002","113.456","0.0002","512.43","0.019","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ge O3 Pb -","- Ge O3 Pb -","- Ge6 O18 Pb6 -","6","1","FI2002","Yan Xu; Liying Cheng; Guangpeng Zhou; Yanli Wang","Lead germanium oxide","Acta Crystallographica Section E","2006","62","6","i135","i137","10.1107/S1600536806017697","","","0.71073","MoKα","","0.057","0.05","","","0.158","0.164","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2224196","9.5145","0.0004","9.5145","0.0004","9.5145","0.0004","114.678","0.002","114.678","0.002","114.678","0.002","495.88","0.06","183","2","183","2","","","","","","","","4","R -3 :R","-P 3*","148","","Copper(II) hydrogenphosphate","","- Cu H O4 P -","- Cu H O4 P -","- Cu6 H6 O24 P6 -","6","1","FI2089","Günther, Christiane; Görls, Helmar; Stachel, Dörte","Copper(II) hydrogenphosphate, CuHPO~4~","Acta Crystallographica Section E","2009","65","12","i85","","10.1107/S1600536809045632","","","0.71073","MoKα","","0.0331","0.0259","","","0.0636","0.0664","","","","","","1.024","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2310474","5.417","","5.417","","5.417","","95.5","","95.5","","95.5","","156.608","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Cs (U F6)","","- Cs F6 U -","- Cs F6 U -","- Cs F6 U -","1","0.166667","","Rosenzweig, A.; Cromer, D.T.","The crystal structure of Cs U F6","Acta Crystallographica (1,1948-23,1967)","1967","23","","865","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310633","5.4846","","5.4846","","5.4846","","55","","55","","55","","103.088","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Co Ti O3","","- Co O3 Ti -","- Co O3 Ti -","- Co2 O6 Ti2 -","2","0.333333","","Mewnham, R.E.; Fang, J.H.; Santoro, R.P.","Crystal structure and magnetic properties of Co Ti O3","Acta Crystallographica (1,1948-23,1967)","1964","17","","240","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311965","19.9182","0.0009","19.9182","0.0009","19.9182","0.0009","116.98","0.002","116.98","0.002","116.98","0.002","3496.4","0.7","100","2","100","2","","","","","","","","4","R -3 :R","-P 3*","148","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-2'-Benzoyl-1-hexyl-2-oxo-\ 1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-1'-carboxylic acid","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C168 H192 N12 O24 -","6","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0909","0.0539","","","0.1118","0.1273","","","","","","1.034","","","","has coordinates","246189","2020-10-21","18:00:00",""
"3000242","8.6197","","8.6197","","8.6197","","107.896","","107.896","","107.896","","519.775","","","","","","","","","","","","","3","R -3 :R","-P 3*","","Zn2SiO4","","willemite","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 willemite at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215378","2020-10-21","18:00:00","2020-04-22"
"4001207","6.13228","0.00026","6.13228","","6.13228","","98.928","0.005","98.928","","98.928","","221.22","0.01","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- O12 Sc6 W -","- O12 Sc6 W -","- O12 Sc6 W -","1","0.166667","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001209","6.13563","0.0001","6.13563","","6.13563","","98.9226","0.0017","98.9226","","98.9226","","221.594","0.004","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- O12 Sc6 W -","- O12 Sc6 W -","- O12 Sc6 W -","1","0.166667","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4021172","27.211","0.003","27.211","0.003","27.211","0.003","118.6","0.02","118.6","0.02","118.6","0.02","6150","25","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C43 H47 Cl N2 O7 -","- C43 H47 Cl N2 O7 -","- C258 H282 Cl6 N12 O42 -","6","1","","Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán","Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids","Journal of Organic Chemistry","2004","69","","6883","6885","10.1021/jo049113h","","","","","","","0.0783","","","0.2303","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4030668","5.12","0.01","5.12","0.01","5.12","0.01","96.23","0.01","96.23","0.01","96.23","0.01","131.7","0.4","","","200","","","","","","","","","4","R -3 :R","-P 3*","148","","","","- F6 H4 N Ta -","- F6 H4 N Ta -","- F6 H4 N Ta -","1","0.166667","","Crimberg, C.; Strahle, J.; Laval, J.-P.; Frit, B.; Sonntag, R.; Ihringer, J.","X-ray and neutron-diffraction study of NH4TaF6","European Journal of Solid State and Inorganic Chemistry","1994","31","","449","462","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.075","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4031462","8.506","","8.506","","8.506","","82.54","","82.54","","82.54","","601.044","","","","","","","","","","","","","6","R -3 :R","-P 3*","148","","(Na ((N H3) B H2 (C N))6) I","","- C6 H30 B6 I N12 Na -","- C6 H30 B6 I N12 Na -","- C6 H30 B6 I N12 Na -","1","0.166667","","Hargrave, K.D.; Wisian-Neilson, P.; McPhail, A.T.; Spielvogel, B.F.","Synthesis and crystal structure of hexakis(ammonia-cyanoborane) sodium iodide","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1977","1977","","2150","2153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031639","4.991","","4.991","","4.991","","97.18","","97.18","","97.18","","121.129","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","K (Os F6)","","- F6 K Os -","- F6 K Os -","- F6 K Os -","1","0.166667","","Hepworth, M.A.; Jack, K.H.; Westland, G.J.","Structures of complex fluorides - I. Potassium hexafluoroosmate(V), K Os F6","Journal of Inorganic and Nuclear Chemistry","1956","2","","79","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061914","15.418","0.003","15.418","0.003","15.418","0.003","115.434","0.002","115.434","0.002","115.434","0.002","1967.6","0.6","110","0","110","0","","","","","","","","6","R -3 :R","-P 3*","148","1,2-Bis(cyanomercurio)tetrafluorobenzene-acetaldehyde","","","- C11 H4 F4 Hg2 N2 O -","- C10 H4 F4 Hg2 N2 O -","- C60 H24 F24 Hg12 N12 O6 -","6","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4062167","17.8969","0.0016","17.8969","0.0016","17.8969","0.0016","114.809","0.001","114.809","0.001","114.809","0.001","3263.3","0.5","173","2","173","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C40 H60 O6 Ru4 Si4 -","- C40 H56 O6 Ru4 Si4 -","- C120 H168 O18 Ru12 Si12 -","3","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4068574","16.422","0.004","16.422","0.004","16.422","0.004","105.299","0.002","105.299","0.002","105.299","0.002","3846.6","1.6","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C22.17 H37.33 Al3 N3 -","- C22.17 H36 Al3 N3 -","- C133.02 H216 Al18 N18 -","6","1","","Pi, Chengfu; Wan, Li; Wu, Haoyu; Gu, Yingying; Zheng, Wenjun; Weng, Linhong; Chen, Zhenxia; Wu, Limin","Synthesis of Fused Aminocarbaaluminum Hydrides by the Hydroalumination of Bulky Isocyanides⊥","Organometallics","2009","28","4","1263","","10.1021/om800961h","","","0.71073","MoKα","","0.0731","0.0533","","","0.14","0.1564","","","","","","1.06","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4073297","12.3337","0.0001","12.3337","0.0001","12.3337","0.0001","112.92","0.02","112.92","0.02","112.92","0.02","1225.8","0.9","100","","100","","","","","","","","diethylether","6","R -3 :R","-P 3*","148","","trifluoromethanesulphonate-(η^3^-allyl)-palladium(ii)","","- C4 H5 F3 O3 Pd S -","- C4 H5 F3 O3 Pd S -","- C24 H30 F18 O18 Pd6 S6 -","6","1","","Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard","Mononuclear NHC−Pd−π-Allyl Complexes Containing Weakly Coordinating Ligands","Organometallics","2007","26","13","3236","","10.1021/om0702274","","","0.71073","MoKα","","0.0203","0.0194","","","0.0449","0.0453","","","","","","1.136","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4079916","14.7733","0.0004","14.7733","0.0004","14.7733","0.0004","91.08","","91.08","","91.08","","3222.54","0.15","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C63 H63 B I3 P3 -","- C63 H63 B I3 P3 -","- C126 H126 B2 I6 P6 -","2","0.333333","","Song, Ki Cheol; Lee, Kang Mun; Nghia, Nguyen Van; Sung, Woo Young; Do, Youngkyu; Lee, Min Hyung","Synthesis and Anion Binding Properties of Multi-phosphonium Triarylboranes: Selective Sensing of Cyanide Ions in Buffered Water at pH 7","Organometallics","2013","32","3","817","","10.1021/om3010542","","","0.71073","MoKα","","0.0895","0.0736","","","0.209","0.2156","","","","","","1.069","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4083583","18.344","0.003","18.344","0.003","18.344","0.003","115.12","","115.12","","115.12","","3416.6","1","173","2","173","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- C26 H29 N5 -","- C26 H29 N5 -","- C156 H174 N30 -","6","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0483","0.0408","","","0.1087","0.1147","","","","","","1.063","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4088601","20.5316","0.0009","20.5316","0.0009","20.5316","0.0009","82.13","","82.13","","82.13","","8430.9","0.6","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C186 H330 Dy6 N24 Si24 -","- C186 H330 Dy6 N24 Si24 -","- C186 H330 Dy6 N24 Si24 -","1","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1263","0.0523","","","0.1126","0.1288","","","","","","0.828","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4100206","16.0236","0.001","16.0236","0.001","16.0236","0.001","74.445","0.001","74.445","0.001","74.445","0.001","3732","0.4","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C84.5 H111 N3 O3.5 U -","- C84 H111 N4 O3 U -","- C168 H222 N8 O6 U2 -","2","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100207","16.1204","0.0017","16.1204","0.0017","16.1204","0.0017","73.85","0.002","73.85","0.002","73.85","0.002","3772.4","0.7","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C28 H37 N1.5 O U0.33 -","- C28 H37 N1.5 O U0.333333 -","- C168 H222 N9 O6 U2 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101778","21.8438","0.0004","21.8438","0.0004","21.8438","0.0004","99.34","","99.34","","99.34","","9956","0.3","100","2","100","2","","","","","","","","9","R -3 :R","-P 3*","148","","","","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","- C293 H221 Cl93 F36 N24 O12 P6 Ru6 Se24 -","1","0.166667","","Alexander Laskavy; Linda J. W. Shimon; Leonid Konstantinovski; Mark A. Iron; Ronny Neumann","Activation of Molecular Oxygen by a Dioxygenase Pathway by a Ruthenium Bis-bipyridine Compound with a Proximal Selenium Site","Journal of the American Chemical Society","2010","132","","517","523","10.1021/ja9047027","","","0.71073","MoKα","","0.1121","0.0591","","","0.1525","0.1984","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105365","14.99","0.0001","14.99","0.0001","14.99","0.0001","63.763","","63.763","","63.763","","2579.48","0.03","173","2","173","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C103 H90 Au6 B2 F8 N6 O3 P6 -","- C103 Au6 B2 F8 N6 O3 P6 -","- C103 Au6 B2 F8 N6 O3 P6 -","1","0.166667","","Jian-Hua Jia; Quan-Ming Wang","Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated Carbon","Journal of the American Chemical Society","2009","131","","16634","16635","10.1021/ja906695h","","","0.71073","MoKα","","0.0435","0.0267","","","0.0625","0.0645","","","","","","0.932","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4110981","11.7638","0.0015","11.7638","0.0015","11.7638","0.0015","76.338","0.002","76.338","0.002","76.338","0.002","1508.8","0.3","183","2","183","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C34 H36 Al N O4 -","- C33.93 H30 Al N O4 -","- C67.86 H60 Al2 N2 O8 -","2","0.333333","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0659","0.0528","","","0.1396","0.1513","","","","","","1.056","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111868","15.0192","0.0017","15.0192","0.0017","15.0192","0.0017","61.465","0.017","61.465","0.017","61.465","0.017","2474.5","0.7","293","2","293","2","","","","","","","","7","R -3 :R","-P 3*","148","(EDT-TTF-CONH2)6 (RE6Se8(CN)6)","","","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","1","0.166667","","Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy","(EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization","Journal of the American Chemical Society","2005","127","","11785","11797","10.1021/ja0523385","","","0.71073","MoKα","","0.0407","0.029","","","0.0661","0.0695","","","","","","0.994","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4115531","15.437","0.002","15.437","0.002","15.437","0.002","93.02","0.01","93.02","0.01","93.02","0.01","3662.8","0.8","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C25.33333 H16.33333 Br N4 O8 -","- C25.3333 H16.3333 Br N4 O8 -","- C152 H98 Br6 N24 O48 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1067","0.0704","","","0.1301","0.1434","","","","","","1.228","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4115532","15.427","0.002","15.427","0.002","15.427","0.002","91.73","0.01","91.73","0.01","91.73","0.01","3666.4","0.8","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C26 H18.33 N4.33 O8.33 -","- C26 H18.34 N4.33333 O8.33333 -","- C156 H110.04 N26 O50 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.0886","0.0696","","","0.1707","0.1835","","","","","","1.173","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4116278","12.3729","0.0004","12.3729","0.0004","12.3729","0.0004","79.96","","79.96","","79.96","","1816.23","0.1","223","2","223","2","","","","","","","","5","R -3 :R","-P 3*","148","","methylviologen lead(II) iodide","","- C12 H14 I6 N2 Pb2 -","- C12 H14 I6 N2 Pb2 -","- C36 H42 I18 N6 Pb6 -","3","0.5","","Zhongjia Tang; Arnold M. Guloy","A Methylviologen Lead(II) Iodide: Novel [PbI3-]∞Chains with Mixed Octahedral and Trigonal Prismatic Coordination","Journal of the American Chemical Society","1999","121","","452","453","10.1021/ja982702i","","","0.71073","MoKα","","0.0427","0.0377","","0.0988","0.0951","","","","1.174","1.185","1.185","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4120388","15.5832","0.0008","15.5832","0.0008","15.5832","0.0008","113.28","","113.28","","113.28","","2416.9","0.2","200","2","200","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C90 H114 N18 O24 -","6","1","","Jaeyune Ryu; Jaesung Kwak; Kwangmin Shin; Donggun Lee; Sukbok Chang","Ir(III)-Catalyzed Mild C-H Amidation of Arenes and Alkenes: An Efficient Usage of Acyl Azides as the Nitrogen Source","Journal of the American Chemical Society","2013","135","","12861","12868","10.1021/ja406383h","","","0.71073","MoKα","","0.0979","0.052","","","0.1416","0.1836","","","","","","0.925","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4312885","17.275","0.005","17.275","0.005","17.275","0.005","99.268","0.004","99.268","0.004","99.268","0.004","4928","2","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C20 H19 N8 O9 Tb -","- C22 H19 N8 O9 Tb -","- C132 H114 N48 O54 Tb6 -","6","1","","Xiao-Ping Yang; Bei-Sheng Kang; Wai-Kwok Wong; Cheng-Yong Su; Han-Qin Liu","Syntheses, Crystal Structures, and Luminescent Properties of Lanthanide Complexes with Tripodal Ligands Bearing Benzimidazole and Pyridine Groups","Inorganic Chemistry","2003","42","","169","179","10.1021/ic025799p","","","0.71073","MoKα","","0.208","0.0726","","","0.1809","0.2713","","","","","","1.027","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4317573","18.313","0.002","18.313","0.002","18.313","0.002","53.472","0.017","53.472","0.017","53.472","0.017","3679.3","1.2","200","2","200","2","","","","","","","","6","R -3 :R","-P 3*","148","","compound 1","","- C47 H59 Al4 F27 O22 Si3 -","- C46.93 H58.92 Al4 F27 O22 Si3 -","- C93.86 H117.84 Al8 F54 O44 Si6 -","2","0.333333","","Hagen Hatop; Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Marcus Schiefer; Hans-Georg Schmidt; Mathias Noltemeyer","Lightest Member of the Basic Carboxylate Structural Pattern: [Al3(μ3-O)(μ-O2CCF3)6(THF)3][(Me3Si)3CAl(O2CCF3)3].C7H8","Inorganic Chemistry","2002","41","","1022","1025","10.1021/ic010880y","","","0.71073","MoKα","","0.0889","0.0712","","","0.1918","0.2112","","","","","","1.013","","","","has coordinates,has disorder","179255","2020-10-21","18:00:00",""
"4319704","14.4133","0.0006","14.4133","0.0006","14.4133","0.0006","116.236","0.001","116.236","0.001","116.236","0.001","1469.76","0.15","213","2","213","2","","","","","","","","6","R -3 :R","-P 3*","148","N, N'-bis(3-aminopropyl)ethylenediaminenickel vanadate","N, N'-bis(3-aminopropyl)ethylenediaminenickel(II) divanadatetrihydrate","","- C8 H28 N4 Ni O9 V2 -","- C8 H12 N4 Ni O9.4 V2 -","- C24 H36 N12 Ni3 O28.2 V6 -","3","0.5","","Junghwan Do; Allan J. Jacobson","Nickel Vanadate Nanotubes: Synthesis and Crystal Structure of [Ni(C8H22N4)](VO3)2.3H2O","Inorganic Chemistry","2001","40","","2468","2469","10.1021/ic010078w","","","0.71073","MoKα","","0.0517","0.046","","0.1441","0.1323","","","","1.248","1.18","1.18","","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4320295","10.612","0.002","10.612","0.002","10.612","0.002","63.3","0.02","63.3","0.02","63.3","0.02","906.8","0.4","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 N12 Sm -","- C30 H44 B2 N12 Sm -","- C30 H44 B2 N12 Sm -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0317","0.0295","","0.0635","0.0628","","","","1.044","1.059","1.059","","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320296","10.51","0.003","10.51","0.003","10.51","0.003","63.52","0.02","63.52","0.02","63.52","0.02","884.8","0.5","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 N12 Yb -","- C30 H44 B2 N12 Yb -","- C30 H44 B2 N12 Yb -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0369","0.036","","0.0797","0.079","","","","1.039","1.036","1.036","","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320297","10.581","0.0015","10.581","0.0015","10.581","0.0015","63.5","0.02","63.5","0.02","63.5","0.02","902.5","0.3","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 Eu N12 -","- C30 H44 B2 Eu N12 -","- C30 H44 B2 Eu N12 -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.024","0.024","","0.0605","0.0604","","","","1.121","1.121","1.121","","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4322910","14.439","0.002","14.439","0.002","14.439","0.002","86.34","0.01","86.34","0.01","86.34","0.01","2992.6","0.7","188","2","188","2","","","","","","","synthesis","5","R -3 :R","-P 3*","148","","","","- C117 H159 Cl3 Mn7 O38 -","- C116.96 H102 Cl3 Mn7 O37.98 -","- C116.96 H102 Cl3 Mn7 O37.98 -","1","0.166667","","Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi","Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster","Inorganic Chemistry","1998","37","","3759","3766","10.1021/ic9800029","","","0.71073","MoKα","","0.069","0.0578","","0.188","0.1782","","","","1.096","1.144","1.144","","","","","has coordinates,has disorder","179332","2020-10-21","18:00:00",""
"4322912","14.576","0.001","14.576","0.001","14.576","0.002","85.773","0.01","85.773","0.01","85.773","0.01","3072.7","0.5","293","2","293","2","","","","","","","synthesis","5","R -3 :R","-P 3*","148","","","","- C109 H127 Cl3 Mn7 O30 -","- C109 H102 Cl3 Mn7 O30 -","- C109 H102 Cl3 Mn7 O30 -","1","0.166667","","Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi","Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster","Inorganic Chemistry","1998","37","","3759","3766","10.1021/ic9800029","","","0.71069","MoKα","","0.1332","0.0837","","0.2992","0.2518","","","","1.069","1.161","1.161","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4328767","17.1998","0.0007","17.1998","0.0007","17.1998","0.0007","97.14","","97.14","","97.14","","4958.9","0.3","100","2","100","2","","","","","","","","7","R -3 :R","-P 3*","148","neptunium 1,2-Phenyldiphosphonate cluster","","","- C72 H30 N32.11 Np12 O159 P24 Rb3.89 -","- C72 H48 N32.1 Np12 O159 P24 Rb3.9 -","- C72 H48 N32.1 Np12 O159 P24 Rb3.9 -","1","0.166667","","Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt","Periodic Trends in Hexanuclear Actinide Clusters","Inorganic Chemistry","2012","51","","4088","4093","10.1021/ic2023242","","","0.71073","MoKα","","0.0499","0.0368","","","0.1022","0.1106","","","","","","1.018","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328768","17.253","0.003","17.253","0.003","17.253","0.003","97.55","","97.55","","97.55","","4988.9","1.5","100","2","100","2","","","","","","","","7","R -3 :R","-P 3*","148","uranium 1,2-Phenyldiphosphonate cluster","","","- C36 H24 Cs4 N16 O79 P12 U6 -","- C36 H24 Cs4 N14.2 O80.8 P12 U6 -","- C72 H48 Cs8 N28.4 O161.6 P24 U12 -","2","0.333333","","Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt","Periodic Trends in Hexanuclear Actinide Clusters","Inorganic Chemistry","2012","51","","4088","4093","10.1021/ic2023242","","","0.71073","MoKα","","0.0627","0.0469","","","0.1249","0.1345","","","","","","1.02","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4334229","15.017","0.0009","15.017","0.0005","15.017","0.0014","61.366","0.006","61.366","0.006","61.366","0.005","2468.1","0.3","295","2","295","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Os0 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.71073","MoKα","","0.0729","0.0316","","","0.0484","0.0549","","","","","","1.067","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334230","14.9978","0.0008","14.9978","0.0006","14.9978","0.0006","61.178","0.004","61.178","0.004","61.178","0.003","2448.7","0.2","230","2","230","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Os0 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.71073","MoKα","","0.0615","0.0293","","","0.0426","0.0473","","","","","","1.091","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334232","15.0012","0.0001","15.0012","0.0001","15.0012","0.0001","61.409","0.001","61.409","0.001","61.409","0.001","2462.61","0.04","293","","293","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.088","0.0774","","0.2286","0.2216","0.2286","","","","","","0.9547","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334233","14.8819","0.0001","14.8819","0.0001","14.8819","0.0001","61.078","0.001","61.078","0.001","61.078","0.001","2387.12","0.04","293","","293","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se7.998 -","- C60 H42 N12 O6 Re6 S36 Se7.998 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.0755","0.0629","","0.1869","0.1794","0.1869","","","","","","0.9489","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338650","22.953","0.002","22.953","0.002","22.953","0.002","110.933","0.001","110.933","0.001","110.933","0.001","8769","1.3","298","2","298","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C120 H108 Cd6 Co3 N45 O53 -","- C120 H108 Cd6 Co3 N45 O53 -","- C240 H216 Cd12 Co6 N90 O106 -","2","0.333333","","Mishra, Anurag; Ali, Afsar; Upreti, Shailesh; Whittingham, M. Stanley; Gupta, Rajeev","Cobalt Complex as Building Blocks: Synthesis, Characterization, and Catalytic Applications of {Cd2±-Co3±-Cd2+} and {Hg2±-Co3±-Hg2+} Heterobimetallic Complexes","Inorganic chemistry","2009","48","12","5234","5243","10.1021/ic900223f","","","0.71073","MoKα","","0.0781","0.0531","","","0.1754","0.1956","","","","","","1.159","","","","has coordinates,has disorder","209988","2020-10-21","18:00:00",""
"4343593","6.7407","","6.7407","","6.7407","","88.83","","88.83","","88.83","","306.088","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ce0.82 Mo6 Se8 -","- Ce0.814 Mo6 Se8 -","- Ce0.814 Mo6 Se8 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343594","6.7473","","6.7473","","6.7473","","88.69","","88.69","","88.69","","306.941","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ce0.92 Mo6 Se8 -","- Ce0.924 Mo6 Se8 -","- Ce0.924 Mo6 Se8 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343595","6.7385","","6.7385","","6.7385","","88.81","","88.81","","88.81","","305.782","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Pr0.86 Mo6 Se8","","- Mo6 Pr0.86 Se8 -","- Mo6 Pr0.861 Se8 -","- Mo6 Pr0.861 Se8 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343596","6.7286","","6.7286","","6.7286","","88.85","","88.85","","88.85","","304.449","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Nd0.85 Mo6 Se8","","- Mo6 Nd0.85 Se8 -","- Mo6 Nd0.847 Se8 -","- Mo6 Nd0.847 Se8 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343597","6.7182","","6.7182","","6.7182","","88.956","","88.956","","88.956","","303.071","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sm0.87 Mo6 Se8","","- Mo6 Se8 Sm0.87 -","- Mo6 Se8 Sm0.871 -","- Mo6 Se8 Sm0.871 -","1","0.166667","","le Berre, F.; Hamard, C.; Pena, O.; Wojakowski, A.","Structural studies on single crystals of Chevrel phase selenides RE Mo6 Se8 (RE= La, Ce, Pr, Nd, or Sm) at 298 K","Inorganic Chemistry","2000","39","","1100","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4350720","14.523","0.002","14.523","0.002","14.523","0.002","84.35","0.01","84.35","0.01","84.35","0.01","3021.3","0.7","298","2","298","2","","","","","","","synthesis","8","R -3 :R","-P 3*","148","","","","- C111.5 H138.5 Cl1.5 F6 Fe6 Li O33 P -","- C111 H102 Cl1.5 F6 Fe6 Li O33 P -","- C111 H102 Cl1.5 F6 Fe6 Li O33 P -","1","0.166667","","Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio C.; Malavasi, Wanda; Schenetti, Luisa; Caneschi, Andrea; Gatteschi, Dante","Modulated Magnetic Coupling in Alkoxoiron(III) Rings by Host−Guest Interactions with Alkali Metal Cations","Inorganic Chemistry","1997","36","27","6443","","10.1021/ic970637s","","","0.71069","MoKα","","0.1382","0.0733","","0.253","0.193","","","","1.042","1.245","1.245","","","","","has coordinates,has disorder","239996","2020-10-21","18:00:00",""
"4503065","17.6984","0.0014","17.6984","0.0014","17.6984","0.0014","116.66","","116.66","","116.66","","2572.6","0.4","293","2","293","2","","","","","","","Chemical synthesis","7","R -3 :R","-P 3*","148","","","","- C10 H12 Ag F3 N4 O3 S -","- C10 H12 Ag F3 N4 O3 S -","- C60 H72 Ag6 F18 N24 O18 S6 -","6","1","","Jin, Chuan-Ming; Wu, Ling-Yan; Lu, Huang; Xu, Yan","Two Distinct Supramolecular Motifs from Bis(2-methylimidazo-1-yl) Methane: An Infinite [n]Catenane and A Discrete M6 Metal-Organic Framework","Crystal Growth & Design","2008","8","1","215","","10.1021/cg070143y","","","0.71073","MoKα","","0.0766","0.0628","","","0.2024","0.2152","","","","","","1.123","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4504089","16.931","0.004","16.931","0.004","16.931","0.004","95.34","0.004","95.34","0.004","95.34","0.004","4786","2","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C28 H29.67 N11 O7.33 Zn -","- C28 H29.67 N11 O7.33333 Zn -","- C168 H178.02 N66 O44 Zn6 -","6","1","","Chi, Yingnan; Huang, Kunlin; Zhang, Shaowen; Cui, Fengyun; Xu, Yanqing; Hu, Changwen","Self-Assembly of a CsCl-like 3D Supramolecular Network from [Zn6(HL)6(H2L)6]6+Metallamacrocycles and (H2O)20Clusters (H2L = 4-(2-Pyridyl)-6-(4-pyridyl)-2-aminopyrimidine)","Crystal Growth & Design","2007","7","12","2449","","10.1021/cg0607809","","","0.71073","MoKα","","0.2774","0.0778","","","0.1751","0.283","","","","","","0.953","","","","has coordinates","198633","2020-10-21","18:00:00",""
"5910000","5.54","","5.54","","5.54","","54.65","","54.65","","54.65","","104.499","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Magnesium titanate","","- Mg O3 Ti -","- Mg2 O6 Ti2 -","- Mg2 O6 Ti2 -","","","","Wyckoff, R. W. G.","Pages 55 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935","The second edition supplement of The Structure of Crystals","1935","","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","203331","2020-10-21","18:00:00",""
"7003611","15.6343","0.0018","15.6343","0.0018","15.6343","0.0018","97.049","0.017","97.049","0.017","97.049","0.017","3727","0.8","149","2","149","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C78 H210 Ag Ge18 Li O6 Si24 -","- C78 H210 Ag Ge18 Li O6 Si24 -","- C78 H210 Ag Ge18 Li O6 Si24 -","1","0.166667","","Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas","[Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry","Dalton Transactions","2008","","33","4436","4441","10.1039/b717506j","","","0.71073","MoKα","","0.0461","0.0348","","","0.0838","0.0882","","","","","","1.038","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003612","15.6548","0.0018","15.6548","0.0018","15.6548","0.0018","97.309","0.017","97.309","0.017","97.309","0.017","3734.2","0.8","149","2","149","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C78 H210 Cu Ge18 Li O6 Si24 -","- C78 H210 Cu Ge18 Li O6 Si24 -","- C78 H210 Cu Ge18 Li O6 Si24 -","1","0.166667","","Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas","[Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry","Dalton Transactions","2008","","33","4436","4441","10.1039/b717506j","","","0.71073","MoKα","","0.071","0.0403","","","0.0782","0.0869","","","","","","0.963","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7009121","8.3292","0.0005","8.3292","0.0005","8.3292","0.0005","77.833","0.007","77.833","0.007","77.833","0.007","543.74","0.06","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C12 H24.6 Mo2 N2 O0.3 S7 -","- C12 H24 Mo2 N2 O0.3 S7 -","- C12 H24 Mo2 N2 O0.3 S7 -","1","0.166667","","Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","5","719","","10.1039/a908777j","","","0.71069","MoKα","","0.0276","0.0242","","0.0741","0.0723","","","","1.147","1.187","1.187","","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7010804","20.022","0.004","20.022","0.004","20.022","0.004","90.73","0.02","90.73","0.02","90.73","0.02","8024","3","273.2","","273.2","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C56 H54 Cl2 N6 O2.2 P2.33 Ru -","- C55.6 H44 Cl2 N6 O2.06367 P2.11133 Ru -","- C333.6 H264 Cl12 N36 O12.382 P12.668 Ru6 -","6","1","","Field, Leslie D.; Messerle, Barbara A.; Soler, Linnea; Buys, Irmi E.; Hambley, Trevor W.","Polypyrazolylmethane complexes of ruthenium","Journal of the Chemical Society, Dalton Transactions","2001","","13","1959","1965","10.1039/b103939n","","","0.7107","MoKα","","0.0873","0.0476","","0.0544","","0.0514","","","1.861","","","2.172","","","","has coordinates","205778","2020-10-21","18:00:00",""
"7011606","13.5818","0.0008","13.5818","0.0008","13.5818","0.0008","46.194","0.002","46.194","0.002","46.194","0.002","1190.71","0.13","200","","200","","","","","","","","","6","R -3 :R","-P 3*","148","","[Zn(L)2](ClO4)2 (1)","","- C42 H48 Cl2 N12 O8 Zn -","- C42 H48 Cl2 N12 O8 Zn -","- C42 H48 Cl2 N12 O8 Zn -","1","0.166667","","Fan, Jian; Sui, Bin; Okamura, Taka-aki; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu","Synthesis, structures and properties of two-dimensional honeycomb and stepwise networks from self-assembly of tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with metal saltsElectronic supplementary information (ESI) available: hydrogen bond network indicated by dashed lines in 2 (Fig. S1), coordination environment of Cd2B (minor component) (Fig. S2), FT-IR spectra of anion exchange (Fig. S3) and excitation and emission spectra of 2 (Fig. S4). See http://www.rsc.org/suppdata/dt/b2/b202138b/","Journal of the Chemical Society, Dalton Transactions","2002","","20","3868","","10.1039/b202138b","","","0.71069","MoKα","","0.0818","0.0481","","","0.1071","0.1126","","","","","","0.979","","","","has coordinates","179820","2020-10-21","18:00:00",""
"7015112","12.8515","0.0015","12.8515","0.0015","12.8515","0.0015","61.399","0.017","61.399","0.017","61.399","0.017","1548","0.5","150","2","150","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C15 H30 Cu3 I N6 O S6 W -","- C15 H30 Cu3 I N6 O S6 W -","- C30 H60 Cu6 I2 N12 O2 S12 W2 -","2","0.333333","","Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca","Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2815","2821","10.1039/c0dt01195a","","","0.71073","MoKα","","0.0738","0.0655","","","0.1625","0.1713","","","","","","1.101","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7017243","21.0255","0.0007","21.0255","0.0007","21.0255","0.0007","69.14","","69.14","","69.14","","7831.4","0.5","173","2","173","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C37.25 H31.38 Cl3 N0.13 S6 Sb2 -","- C37 H31 Cl3 S6 Sb2 -","- C296 H248 Cl24 S48 Sb16 -","8","1.33333","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.081","0.0633","","","0.1789","0.1886","","","","","","1.37","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017661","18.327","0.002","18.327","0.002","18.327","0.002","116.627","0.017","116.627","0.017","116.627","0.017","2870","4","173","2","173","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C19 H18 N2 S Si Te -","- C19 H18 N2 S Si Te -","- C114 H108 N12 S6 Si6 Te6 -","6","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0574","0.0471","","","0.0946","0.0987","","","","","","1.068","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7022863","22.469","0.007","22.469","0.007","22.469","0.007","115.655","0.006","115.655","0.006","115.655","0.006","5952","4","150","2","150","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C52 H79 Cl3 N2 O3 Pd -","- C33 H36 N2 O3 Pd -","- C198 H216 N12 O18 Pd6 -","6","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1881","0.0781","","","0.1533","0.1769","","","","","","0.819","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7027802","25.113","0.002","25.113","0.002","25.113","0.003","118.39","0.02","118.39","0.02","118.39","0.02","5176","18","298","","298","","","","","","","","","9","R -3 :R","-P 3*","148","","","","- C30 H30 Cl Fe N O6 P2 Pd Si -","- C30 H30 Cl Fe N O6 P2 Pd Si -","- C180 H180 Cl6 Fe6 N6 O36 P12 Pd6 Si6 -","6","1","","Braunstein, Pierre; Durand, Jérôme; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Pugin, Raphael; Tiripicchio, Antonio; Ugozzoli, Franco","Hydrocarbyl derivatives of dppm- or dppa-bridged alkoxysilyl heterobimetallic Fe‒Pd complexes and CO insertion reactions. Crystal structures of [(OC)3{(MeO)3Si}Fe(μ-dppm)Pd(8-mq)] (dppm = Ph2PCH2PPh2), [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdCl] and [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdPh] (dppa = Ph2PNHPPh2) †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4175","","10.1039/a907425b","","","0.71073","MoKα","","0.1309","0.0316","","0.1271","0.0629","","","","1.389","0.899","0.899","","","","","has coordinates","211902","2020-10-21","18:00:00",""
"7029900","18.865","0.002","18.865","0.002","18.865","0.002","117.22","0.017","117.22","0.017","117.22","0.017","2856","5","153","2","153","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C69 H60 N3 O9 Tb -","- C69 H60 N3 O9 Tb -","- C138 H120 N6 O18 Tb2 -","2","0.333333","","Raphael, Shyni; Reddy, M. L. P.; Vasudevan, Kalyan V.; Cowley, Alan H.","Synthesis, crystal structure and photophysical properties of lanthanide coordination polymers of 4-[4-(9H-carbazol-9-yl)butoxy]benzoate: the effect of bidentate nitrogen donors on luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14671","14682","10.1039/c2dt31827j","","","0.71073","MoKα","","0.0951","0.0431","","","0.0673","0.0796","","","","","","1.055","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030482","15.8718","0.0002","15.8718","0.0002","15.8718","0.0002","106.639","0.001","106.639","0.001","106.639","0.001","3362.1","0.09","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C22 H29.08 Cl Cu N2 O1.04 -","- C22 H29 Cl Cu N2 O1.04167 -","- C132 H174 Cl6 Cu6 N12 O6.25 -","6","1","","Barwiolek, Magdalena; Szlyk, Edward; Berg, Andrzej; Wojtczak, Andrzej; Muziol, Tadeusz; Jezierska, Julia","Structural studies of copper(ii) complexes with 2-(2-aminoethyl)pyridine derived Schiff bases and application as precursors of thin organic-inorganic layers.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9924","9933","10.1039/c4dt00654b","","x-ray","0.71073","MoKα","","0.0548","0.0381","","","0.106","0.1103","","","","","","1","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7033000","17.2078","0.0005","17.2078","0.0005","17.2078","0.0005","60.523","0.001","60.523","0.001","60.523","0.001","3645.55","0.19","120","2","120","2","","","","","","","","5","R -3 :R","-P 3*","148","(MeClamp)Mo . 3 C6H6","κ7-[Tris(2-(3,5-di-tert-butyl-2-oxyphenyl)amido-4-methylphenyl)amino]molybdenum(VI) tribenzene solvate","","- C81 H96 Mo N4 O3 -","- C81 H96 Mo N4 O3 -","- C162 H192 Mo2 N8 O6 -","2","0.333333","","Marshall-Roth, Travis; Brown, Seth N.","Redox activity and π bonding in a tripodal seven-coordinate molybdenum(VI) tris(amidophenolate).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","677","685","10.1039/c4dt02936d","","","0.71073","MoKα","","0.036","0.0308","","","0.0826","0.0874","","","","","","0.969","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7043180","20.83","0.005","20.83","0.005","20.83","0.005","106.55","0.03","106.55","0.03","106.55","0.03","7617","5","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C192 H248.6 Ce21 N21 O118.8 -","- C192 H231 Ce21 N21 O118.8 -","- C192 H231 Ce21 N21 O118.8 -","1","0.166667","","Canaj, Angelos; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Brechin, Euan K.; Milios, Constantinos J.","A [Ce21] Keplerate","Dalton Trans.","2017","","","","","10.1039/C7DT01883E","","","0.71073","MoKα","","0.1311","0.0679","","","0.1607","0.1983","","","","","","1.105","","","","has coordinates,has disorder","197124","2020-10-21","18:00:00",""
"7050538","18.949","0.002","18.949","0.002","18.949","0.002","117.25","0.02","117.25","0.02","117.25","0.02","2879","6","","","293","2","","","","","","","","4","R -3 :R","-P 3*","148","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C150 H114 N6 O12 -","6","1","","Gisbert Grossmann; Marek J. Potrzebowski; Sebastian Olejniczak; Natasza E. Ziółkowska; Grzegorz D. Bujacz; Wlodzimierz Ciesielski; Wiktor Prezdo; Valerii Nazarov; Vladislav Golovko","Structural studies of N-(2'-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases","New J. Chem.","2003","27","7","1095","1101","10.1039/b300759f","","","1.54178","CuKα","","0.0486","0.0436","","0.1172","","0.1124","","","","","","1.122","","","","has coordinates,has disorder","180059","2020-10-21","18:00:00",""
"7051019","8.892","0.001","8.892","0.001","8.892","0.001","65.63","0.017","65.63","0.017","65.63","0.017","557.92","0.15","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","K[Re6Se5Cl9](H2O)2","potassium penta-μ~eq~3-seleno-tri-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III) dihydrate","","- Cl9 H4 K O2 Re6 Se5 -","- Cl8.9 K O2 Re6 Se5.078 -","- Cl8.9 K O2 Re6 Se5.078 -","1","0.166667","","Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin","Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]","New J. Chem.","2001","25","5","737","740","10.1039/b005231k","","","0.71073","MoKα","","0.0577","0.0401","","","0.0489","0.0558","","","","","","0.872","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052044","16.2836","0.0011","16.2836","0.0011","16.2836","0.0011","109.604","0.007","109.604","0.007","109.604","0.007","3307.3","0.6","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C40 H72 Cl2 O4 Yb2 -","- C40 H72 Cl2 O4 Yb2 -","- C120 H216 Cl6 O12 Yb6 -","3","0.5","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0483","0.0422","","","0.0842","0.0871","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053784","21.5048","0.0009","21.5048","0.0009","21.5048","0.0009","91.042","0.011","91.042","0.011","91.042","0.011","9940","0.7","100","2","100","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- C64 H102 O17 -","- C64 H96 O17 -","- C384 H576 O102 -","6","1","","Kulikov, Oleg V.; Rath, Nigam P.; Zhou, Dan; Carasel, I. Alexandru; Gokel, George W.","Guest molecule entrapment by both capsule and hydrocarbon sidechains in self-assembled pyrogallol[4]arenes","New Journal of Chemistry","2009","33","7","1563","","10.1039/b823160e","","","0.71073","MoKα","","0.4117","0.1649","","","0.4189","0.5605","","","","","","1.458","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7054241","18.949","0.002","18.949","0.002","18.949","0.002","117.25","0.02","117.25","0.02","117.25","0.02","2879","6","","","293","2","","","","","","","","4","R -3 :R","-P 3*","148","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C150 H114 N6 O12 -","6","1","","Seisenbaeva, Gulaim A.; Gohil, Suresh; Jansson, Kjell; Herbst, Konrad; Brorson, Michael; Kessler, Vadim G.","Solution interaction of O-donor ligand metal complexes with thiocarbonyl compounds?a new general route to metal sulfide materials","New Journal of Chemistry","2003","27","7","1059","","10.1039/b300398c","","","1.54178","CuKα","","0.0486","0.0436","","0.1172","","0.1124","","","","","","1.122","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7104061","19.175","0.002","19.175","0.002","19.175","0.002","106.039","0.017","106.039","0.017","106.039","0.017","6019.1","1.2","123","2","123","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C198 H290 N12 O86 P12 -","- C33 H41.5 N2 O14.3333 P2 -","- C198 H249 N12 O86 P12 -","6","1","","Coleman, Anthony W.; Silva, Eric Da; Nouar, Farid; Nierlich, Martine; Navaza, Alda","The structure of a self-assembled calixarene aqua-channel system","Chemical Communications (Cambridge, United Kingdom)","2003","","7","826","827","10.1039/b301460f","","","0.71073","MoKα","","0.1897","0.0862","","","0.2072","0.2654","","","","","","0.968","","","","has coordinates","210521","2020-10-21","18:00:00",""
"7204583","14.2727","0.0016","14.2727","0.0016","14.2727","0.0016","88.309","0.017","88.309","0.017","88.309","0.017","2903.8","0.6","301","2","301","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C44 H8.67 F20 N4 O0.33 Pt -","- C44 H8 F20 N4 O0.333333 Pt -","- C132 H24 F60 N12 O Pt3 -","3","0.5","","Che, Chi-Ming; Hou, Yuan-Jun; Chan, Michael C. W.; Guo, Jianhua; Liu, Yu; Wang, Yue","[meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(ii) as an efficient, oxidation-resistant red phosphor: spectroscopic properties and applications in organic light-emitting diodesElectronic supplementary information available: details of photoluminescence measurements, transient absorption spectra of PtF20TPP, photophysical properties of PtF20TPP in different solvents, EL spectra and performances of OLEDs using PtF20TPP as emitters at various doping levels and crystallographic data for PtF20TPP. See http://www.rsc.org/suppdata/jm/b2/b212204a/","Journal of Materials Chemistry","2003","13","6","1362","","10.1039/b212204a","","","0.71073","MoKα","","0.0466","0.0336","","","0.0848","0.0989","","","","","","0.994","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7206325","13.175","0.004","13.175","0.004","13.175","0.004","104","","104","","104","","2040.5","1.1","296","2","296","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C12 H66 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","1","0.166667","","Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping","A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii)","CrystEngComm","2011","13","15","4834","","10.1039/c1ce05358b","","","0.71073","MoKα","","0.0557","0.0405","","","0.0997","0.1069","","","","","","1.072","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7234492","11.0988","0.0009","11.0988","0.0009","11.0988","0.0009","102.058","0.0004","102.058","0.0004","102.058","0.0004","1261.12","0.18","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0258","0.0203","","","0.0395","0.0409","","","","","","1.013","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234493","11.1579","0.0005","11.1579","0.0005","11.1579","0.0005","101.8","0.001","101.8","0.001","101.8","0.001","1286.32","0.1","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0382","0.0252","","","0.0454","0.0488","","","","","","1.026","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234495","10.8505","0.0005","10.8505","0.0005","10.8505","0.0005","102.632","0.0002","102.632","0.0002","102.632","0.0002","1167.76","0.09","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0145","0.0132","","","0.0295","0.0299","","","","","","1.086","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234496","10.908","0.0007","10.908","0.0007","10.908","0.0007","102.348","0.0003","102.348","0.0003","102.348","0.0003","1191.82","0.13","300","2","300","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0239","0.018","","","0.0343","0.0363","","","","","","1.094","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234497","10.8797","0.0005","10.8797","0.0005","10.8797","0.0005","101.159","0.001","101.159","0.001","101.159","0.001","1203.35","0.1","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TTF)3[(Mo6B14)Br]","","","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0259","0.0214","","","0.0459","0.0476","","","","","","1.033","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234498","10.9429","0.0005","10.9429","0.0005","10.9429","0.0005","100.915","0.001","100.915","0.001","100.915","0.001","1228.45","0.1","300","2","300","2","","","","","","","","5","R -3 :R","-P 3*","148","(TTF)3[(Mo6B14)Br]","","","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0417","0.0276","","","0.0524","0.0586","","","","","","1.066","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7705397","21.012","0.002","21.012","0.002","21.012","0.002","115.759","0.017","115.759","0.017","115.759","0.017","4814","5","200","","200","","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C36.16 H38.32 Cl0.32 Cu N2 O4 -","- C36.1577 H38.316 Cl0.315 Cu N2 O4 -","- C216.946 H229.896 Cl1.89 Cu6 N12 O24 -","6","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.1152","0.0562","","","0.1054","0.1343","","","","","","1.093","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"9000195","11.769","","11.769","","11.769","","106.5","","106.5","","106.5","","1375.67","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","","Loweite","- H36 Mg7 Na12 O67 S13 -","- H30 Mg7 Na12 O67 S13 -","- H30 Mg7 Na12 O67 S13 -","1","0.166667","","Fang, J. H.; Robinson, P. D.","Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of loeweite","American Mineralogist","1970","55","","378","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:07",""
"9000524","9.148","","9.148","","9.148","","69.078","","69.078","","69.078","","644.398","","","","","","","","","","","","","8","R -3 :R","-P 3*","148","","","Crichtonite","- Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","- Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","- Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602 -","1","0.166667","","Grey, I. E.; Lloyd, D. J.; White, J. S.","The structure of crichtonite and its relationship to senaite","American Mineralogist","1976","61","","1203","1212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000598","9.117","","9.117","","9.117","","69.07","","69.07","","69.07","","637.788","","","","","","","","","","","","","11","R -3 :R","-P 3*","148","","","Loveringite","- Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58 -","- Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58 -","- Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58 -","1","0.166667","","Gatehouse, B. M.; Grey, I. E.; Campbell, I. H.; Kelly, P. R.","The crystal structure of loveringite - a new member of the crichtonite group","American Mineralogist","1978","63","","28","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:09",""
"9000736","9.19","","9.19","","9.19","","68.73","","68.73","","68.73","","649.693","","","","","","","","","","","","Pandora Prospect, Quijotoa Mts., Pima County, Arizona, USA","10","R -3 :R","-P 3*","148","","","Davidite-(La)","- Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3 -","- Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3 -","- Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3 -","1","0.166667","","Gatehouse, B. M.; Grey, I. E.; Kelly, P. R.","The crystal structure of davidite","American Mineralogist","1979","64","","1010","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9001873","9.197","","9.197","","9.197","","68.75","","68.75","","68.75","","651.388","","","","","","","","","","","","","11","R -3 :R","-P 3*","148","","","Dessauite-(Y)","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","1","0.166667","","Orlandi, P.; Pasero, M.; Duchi, G.; Olmi, F.","Dessauite, (Sr,Pb)(Y,U)(Ti,Fe)20O38, a new mineral of the crichtonite group from Buca della Vena mine, Tuscany, Italy","American Mineralogist","1997","82","","807","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001948","7.18","","7.18","","7.18","","87.26","","87.26","","87.26","","368.916","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Na8 O18 Si7 -","- Na8 O18 Si7 -","- Na8 O18 Si7 -","1","0.166667","","Fleet, M. E.","Sodium heptasilicate: A high-pressure silicate with six-membered rings of tetrahedra interconnected by SiO6 octahedra: (Na8Si[Si6O18])","American Mineralogist","1998","83","","618","624","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004125","9.152","","9.152","","9.152","","68.99","","68.99","","68.99","","644.342","","","","","","","","","","","","","8","R -3 :R","-P 3*","148","","","Landauite","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","1","0.166667","","Grey, I. E.; Gatehouse, B. M.","The crystal structure of landauite, Na[MnZn2(Ti,Fe)6Ti12]O38","The Canadian Mineralogist","1978","16","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9005642","9.186","","9.186","","9.186","","68.82","","68.82","","68.82","","649.784","","","","","","","","","","","","the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy","9","R -3 :R","-P 3*","148","","","Gramaccioliite-(Y)","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","1","0.166667","","Orlandi, P.; Pasero, M.; Rotiroti, N.; Olmi, F.; Demartin, F.; Moelo, Y.","Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy","European Journal of Mineralogy","2004","16","","171","175","10.1127/0935-1221/2004/0016-0171","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007057","8.819","","8.819","","8.819","","111.7","","111.7","","111.7","","479.521","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","","Dioptase","- Cu H2 O4 Si -","- Cu H2 O4 Si -","- Cu6 H12 O24 Si6 -","6","1","","Belokoneva, E. L.; Gubina, Y. K.; Forsyth, J. B.; Brown, P. J.","The charge-density distribution, its multipole refinement and the antiferromagnetic structure of dioptase, Cu6[Si6O18].6H2O","Physics and Chemistry of Minerals","2002","29","","430","438","10.1007/s00269-002-0246-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007734","6.5378","","6.5378","","6.5378","","88.809","","88.809","","88.809","","279.265","","","","112","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Eu Mo6 S8 -","- Eu Mo6 S8 -","- Eu Mo6 S8 -","1","0.166667","","Kubel, F.; Yvon, K.","Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 112 K","Acta Crystallographica, Section C","1990","46","","181","186","10.1107/S0108270189005913","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007736","6.6441","","6.6441","","6.6441","","88.562","","88.562","","88.562","","293.025","","","","177","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ba Mo6 S8 -","- Ba Mo6 S8 -","- Ba Mo6 S8 -","1","0.166667","","Kubel, F.; Yvon, K.","Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 177 K","Acta Crystallographica, Section C","1990","46","","181","186","10.1107/S0108270189005913","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008043","10.33","","10.33","","10.33","","24.17","","24.17","","24.17","","162.41","","","","","","","","","","","","Hungary","3","R -3 :R","-P 3*","148","","","Tetradymite","- Bi2 S Te2 -","- Bi2 S Te2 -","- Bi2 S Te2 -","1","0.166667","","Harker, D.","The crystal structure of the mineral tetradymite, Bi2Te2S","Zeitschrift fur Kristallographie","1934","89","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008098","8.269","","8.269","","8.269","","51.683","","51.683","","51.685","","321.561","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- As I3 -","- As I3 -","- As2 I6 -","2","0.333333","","Trotter, J.","The crystal structure of arsenic triiodide, AsI3","Zeitschrift fur Kristallographie","1965","121","","81","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008145","5.9648","","5.9648","","5.9648","","90.73","","90.73","","90.73","","212.169","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- Rh3 Se8 -","- Rh3 Se8 -","- Rh3 Se8 -","1","0.166667","","Hohnke, D.; Parthe, E.","The crystal structure of pyrite-related Rh3Se8","Zeitschrift fur Kristallographie","1968","127","","164","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009770","6.132","","6.132","","6.132","","59.34","","59.34","","59.34","","160.589","","","","12","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Wuestite","- Fe O -","- Fe O -","- Fe8 O8 -","8","1.33333","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Three-Phase Mixture FeO, T = 12 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009771","6.073","","6.073","","6.073","","59.92","","59.92","","59.92","","158.091","","","","12","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Wuestite","- Fe0.925 O -","- Fe0.925 O -","- Fe7.4 O8 -","8","1.33333","","Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.","On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Note: low-temperature polymorph Sample: Single-Phase Fe0.925O, T = 12 K","Journal of Solid State Chemistry","1996","124","","52","57","10.1006/jssc.1996.0206","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009955","11.909","","11.909","","11.909","","109.51","","109.51","","109.51","","1298.31","","","","","","","","","","","","Synthetic","5","R -3 :R","-P 3*","148","","","Analcime","- Al2 H4 Na1.862 O13.667 Si4 -","- Al1.99998 H3.33333 Na1.8615 O13.6667 Si4.00002 -","- Al7.99992 H13.3333 Na7.446 O54.6667 Si16.0001 -","4","0.666667","","Yokomori, Y.; Idaka, S.","The crystal structure of analcime","Microporous and Mesoporous Materials","1998","21","","365","370","10.1016/S1387-1811(98)00019-5","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9010496","9.411","","9.411","","9.411","","91.48","","91.48","","91.48","","832.654","","","","423","","","","","","","","Mayen, Eifel district, Germany","5","R -3 :R","-P 3*","148","","","Willhendersonite","- Al6 Ca1.617 K1.842 O24 Si6 -","- Al6 Ca1.617 K1.842 O24 Si6 -","- Al6 Ca1.617 K1.842 O24 Si6 -","1","0.166667","","Fischer, R. X.; Kahlenberg, V.; Lengauer, C. L.; Tillmanns, E.","Thermal behavior and structural transformation in the chabazite-type zeolite willhendersonite, KCaAl3Si3O12*5H2O Note: T = 423K","American Mineralogist","2008","93","","1317","1325","10.2138/am.2008.2745","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011164","9.172","","9.172","","9.172","","69.02","","69.02","","69.02","","648.885","","","","","","","","","","","","Diamantina region, Brazil","5","R -3 :R","-P 3*","148","","","Senaite","- Fe6.34 Mn O38 Pb0.83 Ti13.66 -","- Fe6.3398 Mn O38 Pb0.83 Ti13.6602 -","- Fe6.3398 Mn O38 Pb0.83 Ti13.6602 -","1","0.166667","","Grey, I. E.; Lloyd, D. J.","The crystal structure of senaite","Acta Crystallographica, Section B","1976","32","","1509","1513","10.1107/S0567740876012478","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011341","9.119","","9.119","","9.119","","69.24","","69.24","","69.24","","639.924","","","","","","","","","","","","peridotite nodules, Bultfonten kimblerlite, South Africa","13","R -3 :R","-P 3*","148","","","Mathiasite","- Ba0.14 Ca0.3 Cr3.1 Fe2.2 K0.62 Mg1.333 Na0.14 Nb0.233 O38 Sr0.1 Ti12.9 V0.233 Zr0.7 -","- Ba0.14 Ca0.3 Cr3.1002 Fe2.2002 K0.62 Mg1.3334 Na0.14 Nb0.2334 O38 Sr0.1 Ti12.9 V0.2334 Zr0.7 -","- Ba0.14 Ca0.3 Cr3.1002 Fe2.2002 K0.62 Mg1.3334 Na0.14 Nb0.2334 O38 Sr0.1 Ti12.9 V0.2334 Zr0.7 -","1","0.166667","","Gatehouse, B. M.; Grey, I. E.; Smyth, J. R.","Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 locality: peridotite nodules, Bultfonten kimblerlite, South africa","Acta Crystallographica, Section C","1983","39","","421","422","10.1107/S0108270183004965","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9014631","8.836","","8.836","","8.836","","107.7","","107.7","","107.7","","563.199","","","","","","","","","","","","Synthetic","3","R -3 :R","-P 3*","148","","","","- Ge O4 Zn2 -","- Ge6 O24 Zn12 -","- Ge6 O24 Zn12 -","","","","Hang, C.; Simonov, M. A.; Belov, N. V.","Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]","Soviet Physics Crystallography","1970","15","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014765","8.628","","8.628","","8.628","","107.87","","107.87","","107.87","","521.689","","","","","","","","","","","","Synthetic","3","R -3 :R","-P 3*","148","","","Willemite","- O4 Si Zn2 -","- O24 Si6 Zn12 -","- O24 Si6 Zn12 -","","","","Hang, C.; Simonov, M. A.; Belov, N. V.","Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]","Soviet Physics Crystallography","1970","15","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015045","7.78","","7.78","","7.78","","113.1","","113.1","","113.1","","304.25","","","","","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Ice II","- H2 O -","- H24 O12 -","- H24 O12 -","","","","Kamb, B.","Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa","Acta Crystallographica","1964","17","","1437","1449","10.1107/S0365110X64003553","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""