# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T09:53:52+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 3 1 c' 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
"1000029","7.82927","0.00007","7.82927","0.00007","5.70757","0.00006","90","","90","","120","","303","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Yttrium alumosilicate nitrogen oxide *","","- Al2.7 N15.1 O0.9 Si9.3 Y0.5 -","- Al2.76 N15.04 O0.96 Si9.24 Y0.544 -","- Al2.76 N15.04 O0.96 Si9.24 Y0.544 -","1","0.166667","","Izumi, F.; Mitomo, M.; Bando, Y.","Rietveld refinements for calcium and yttrium containing α-sialons","Journal of Materials Science","1984","19","9","3115","3120","10.1007/BF01026991","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","200129","2020-10-21","18:00:00",""
"1001066","11.595","0.005","11.595","0.005","9.755","0.005","90","","90","","120","","1135.8","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Barium silicate germanate *","","- Ba Ge3.125 O9 Si0.875 -","- Ba Ge3.1249 O9 Si0.8751 -","- Ba6 Ge18.7494 O54 Si5.2506 -","6","1","","Goreaud, M; Choisnet, J; Deschanvres, A; Raveau, B","Synthese et Evolution Structurale de Nouveaux Silicogermanates Ba Ge (Ge~3-x~ Si~x~) O~9~ de Type Benitoite et de Structure Apparentee","Materials Research Bulletin","1973","8","","1205","1214","10.1016/0025-5408(73)90158-X","","","","","","0.119","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001238","7.7523","0.0002","7.7523","0.0002","5.6198","0.0002","90","","90","","120","","292.5","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001239","7.766","0.0002","7.766","0.0002","5.6297","0.0003","90","","90","","120","","294","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001240","7.7696","0.0002","7.7696","0.0002","5.6318","0.0003","90","","90","","120","","294.4","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001241","7.7809","0.0003","7.7809","0.0003","5.6407","0.0004","90","","90","","120","","295.7","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001242","7.7853","0.0004","7.7853","0.0004","5.6431","0.0005","90","","90","","120","","296.2","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001243","7.791","0.0004","7.791","0.0004","5.6492","0.0005","90","","90","","120","","297","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007248","11.549","0.005","11.549","0.005","9.114","0.005","90","","90","","120","","1052.8","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Barium tetracaesium hexakis(phosphate(V))","","- Ba Cs4 O18 P6 -","- Ba Cs4 O18 P6 -","- Ba2 Cs8 O36 P12 -","2","0.333333","","Averbuch-Pouchot, M T; Durif, A","Structure of monobarium tetracaesium polyphosphate","Acta Crystallographica C (39,1983-)","1986","42","","928","930","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1507529","18.995","0.005","18.995","0.005","7.835","0.004","90","","90","","120","","2448.2","1.5","298","2","298","2","","","","","","","","2","P 3 1 c","P 3 -2c","159","","1,3-diphenyladamantane ?","","- C22 H24 -","- C22 H24 -","- C132 H144 -","6","1","","Tukada, Hideyuki; Mochizuki, Katsura","Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation","Organic Letters","2001","3","21","3305","","10.1021/ol0165241","","","0.71073","MoKα","","0.13","0.0579","","","0.1134","0.1436","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1520837","11.167","","11.167","","21.3603","","90","","90","","120","","2306.81","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Ca6 (Al (O D)6)2 (S O4)3 (D2 O)25.9","","- Al2 Ca6 D63.8 O49.9 S3 -","- Al2 Ca6 D63.798 O49.899 S3 -","- Al4 Ca12 D127.596 O99.798 S6 -","2","0.333333","","Berliner, R.","The structure of ettringite","Materials Science of Concrete - The Sidney Diamond Symposium","1998","1998","","127","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521328","10.886","","10.886","","9.538","","90","","90","","120","","978.869","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","Na2 (V3 O7)","","- Na2 O7 V3 -","- Na2 O7 V3 -","- Na12 O42 V18 -","6","1","","Millet, P.; Henry, J.Y.; Galy, J.; Mila, F.","Vanadium(IV)-oxide nanotubes: crystal structure of the low-dimensional quantum magnet Na2 V3 O7","Journal of Solid State Chemistry","1999","147","","676","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","141074","2020-10-21","18:00:00",""
"1524095","10.2","","10.2","","30.351","","90","","90","","120","","2734.66","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Se Br4","","- Br4 Se -","- Br4 Se -","- Br64 Se16 -","16","2.66667","","Born, P.; Mootz, D.; Kniep, R.","Phasenbeziehungen im System Se-Br und die Kristallstrukturen des dimorphen Se Br4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","451","","12","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524455","10.0935","","10.0935","","8.5388","","90","","90","","120","","753.375","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","(Pb O)3 (B2 O3)5 (H2 O)2","","- B10 H4 O20 Pb3 -","- B10 O20 Pb3 -","- B20 O40 Pb6 -","2","0.333333","","Grube, H.H.","Die Struktur des (Pb O)3 (B2 O3)5 (H2 O)2","Fortschritte der Mineralogie, Beiheft","1981","59","","58","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524948","9.151","","9.151","","16.862","","90","","90","","120","","1222.86","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Fe3 (N H4) (P O3 (O H).666 O.333)3 (P O2 (O H)2)3 (H2 O)6","","- Fe3 H23.998 N O29.997 P6 -","- Fe3 N O30 P6 -","- Fe6 N2 O60 P12 -","2","0.333333","","Moore, P.B.; Araki, T.","Crystal structure of synthetic (N H4) H8 Fe3 (P O4)6 (H2 O)6","American Mineralogist","1979","64","","587","592","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528592","6.26539","","6.26539","","10.22812","","90","","90","","120","","347.714","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Yb Ba Co4 O6.95","","- Ba Co4 O6.95 Yb -","- Ba Co4 O7 Yb -","- Ba2 Co8 O14 Yb2 -","2","0.333333","","Huq, A.; Mitchell, J.F.; Radaelli, P.G.; Zheng, H.; Chapon, L.C.; Stephens, P.W.; Knight, K.S.","Structural and magnetic properties of the Kagome antiferromagnet Yb Ba Co4 O7","Journal of Solid State Chemistry","2006","179","","1136","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529015","5.14","","5.14","","9.48","","90","","90","","120","","216.903","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Ti6 O","","- O Ti6 -","- O Ti6 -","- O2 Ti12 -","2","0.333333","","Yamaguchi, S.; Koiwa, M.; Hirabayashi, M.","Interstitial Superlattice of = Ti6 O = and its Transformation","Journal of the Physical Society of Japan","1966","21","","2096","2096","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529984","11.67","","11.67","","7.48","","90","","90","","120","","882.214","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","K2 Hg I4 (H2 O)3","","- Hg I4 K2 -","- Hg I4 K2 -","- Hg2 I8 K4 -","2","0.333333","","Gerken, V.A.; Pakhomov, V.I.","Roentgenographical study of cristals in system K I-Hg I2-H2 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1969","10","","753","754","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530799","12.913","","12.913","","10.493","","90","","90","","120","","1515.25","","","","","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Na8 (Al6 Ge6 O24) (C O3) (H2 O)2.48","","- C H4.96 Al6 Ge6 Na8 O29.48 -","- C Al6 Ge6 Na8 O29.479 -","- C2 Al12 Ge12 Na16 O58.958 -","2","0.333333","","Sokolov, Yu.A.; Ilyukhin, V.V.; Maksimov, B.A.; Belov, N.V.","Crystal structure of a new Na-Al germanate Na8 Al6 Ge6 O24 C O3 (H2 O)2","Doklady Akademii Nauk SSSR","1977","237","","585","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530800","12.869","","12.869","","10.45","","90","","90","","120","","1498.78","","","","","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Na8 (Al6 Ge6 O24) (C O3) (H2 O)1.64","","- C H3.28 Al6 Ge6 Na8 O28.64 -","- C Al6 Ge6 Na8 O28.63 -","- C2 Al12 Ge12 Na16 O57.26 -","2","0.333333","","Sokolov, Yu.A.; Maksimov, B.A.; Ilyukhin, V.V.; Belov, N.V.","The low temperature determination of the crystal structure of sodium alumogermanate Na8 Al6 Ge6 O24 (C O3) (H2 O)3","Doklady Akademii Nauk SSSR","1978","243","","113","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531120","5.268","","5.268","","13.48","","90","","90","","120","","323.975","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Na Pb2 (C O3)2 (O H)","","- C2 H Na O7 Pb2 -","- C2 Na O7 Pb2 -","- C4 Na2 O14 Pb4 -","2","0.333333","","Belokoneva, E.L.; Al'-Ama, A.G.; Dimitrova, O.V.; Kurazhkovskaya, V.S.; Stefanovich, S.Yu.","Synthesis and crystal structure of new carbonate Na Pb2 (C O3)2 (O H)","Kristallografiya","2002","47","","253","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531121","10.07","","10.07","","8.53","","90","","90","","120","","749.098","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Pb3 (O H) (B9 O16) (B (O H)3)","","- B10 H4 O20 Pb3 -","- B10 O20 Pb3 -","- B20 O40 Pb6 -","2","0.333333","","Belokoneva, E.L.; Dimitrova, O.V.; Borisova, T.A.; Stefanovich, S.Yu.","New nonlinear-optical Pb3 (O H) (B9 O16) (B (O H)3) crystal with the zeolite-like nonaborate framework, its place in systematization, and structure-genetic relation to Pb B4 O7","Zhurnal Neorganicheskoi Khimii","2001","46","","1788","1794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531421","7.8137","","7.8137","","5.6935","","90","","90","","120","","301.039","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","(Nd0.34 Si9.83 Al2.17) O1.15 N14.85","","- Al2.17 N14.85 Nd0.34 O1.15 Si9.83 -","- Al2.172 N14.848 Nd0.34 O1.152 Si9.828 -","- Al2.172 N14.848 Nd0.34 O1.152 Si9.828 -","1","0.166667","","Herrmann, M.; Kurama, S.; Mandal, H.","Investigation of the phase composition and stability of the alpha-(Si Al O N)s by the Rietveld method","Journal of the European Ceramic Society","2002","22","","2997","3005","","","","","","","","","","","","","","","","","","","","","","has coordinates","156888","2020-10-21","18:00:00",""
"1531424","7.8106","","7.8106","","5.6935","","90","","90","","120","","300.801","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","(Y0.34 Si9.91 Al2.09) O1.07 N14.93","","- Al2.09 N14.93 O1.07 Si9.91 Y0.34 -","- Al2.088 N14.928 O1.072 Si9.912 Y0.34 -","- Al2.088 N14.928 O1.072 Si9.912 Y0.34 -","1","0.166667","","Herrmann, M.; Kurama, S.; Mandal, H.","Investigation of the phase composition and stability of the alpha-(Si Al O N)s by the Rietveld method","Journal of the European Ceramic Society","2002","22","","2997","3005","","","","","","","","","","","","","","","","","","","","","","has coordinates","156891","2020-10-21","18:00:00",""
"1533425","7.298","","7.298","","12.064","","90","","90","","120","","556.455","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Rb2 (Te W3 O12)","","- O12 Rb2 Te W3 -","- O12 Rb2 Te W3 -","- O24 Rb4 Te2 W6 -","2","0.333333","","Goodey, J.; Escobedo, F.V.; Ok, K.M.; Broussard, J.; Hofmann, C.; Halasyamani, P.S.","Syntheses, structures and second-harmonic generating properties in new quaternary tellurites: A2 Te W3 O12 (A = K, Rb or Cs)","Journal of Solid State Chemistry","2003","175","","3","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533473","7.8277","","7.8277","","5.6909","","90","","90","","120","","301.981","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Li (Al3 Si9 N14 O2)","","- Al3 Li N14 O2 Si9 -","- Al3 Li N14 O2 Si9 -","- Al3 Li N14 O2 Si9 -","1","0.166667","","Grins, J.; Esmaeilzadeh, S.; Shen Zhijian","Structures of filled alpha-(Si3N4)-type Ca0.27 La0.03 Si11.38 Al0.62 N16 and Li Si9 Al3 O2 N14","Journal of the American Ceramic Society","2003","86","","727","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534730","7.838","","7.838","","5.703","","90","","90","","120","","303.42","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Ca0.27 La0.03 (Si11.38 Al0.62 N16)","","- Al0.62 Ca0.27 La0.03 N16 Si11.38 -","- Al0.6 Ca0.262 La0.0292 N16 Si11.4 -","- Al0.6 Ca0.262 La0.0292 N16 Si11.4 -","1","0.166667","","Grins, J.; Esmaeilzadeh, S.; Shen Zhijian","Structures of filled alpha-(Si3 N4)-type Ca0.27 La0.03 Si11.38 Al0.62 N16 and Li Si9 Al3 O2 N14","Journal of the American Ceramic Society","2003","86","","727","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","161692","2020-10-21","18:00:00",""
"1536632","12.859","","12.859","","10.697","","90","","90","","120","","1531.82","","","","","","","","","","","","","8","P 3 1 c","P 3 -2c","159","","Ca0.94 Na6.4 ((Al5.88 Si6.12) O24) (S3)1.18 (Cl0.48 (H2 O)0.48)","","- Al5.88 Ca0.94 Cl0.48 H0.96 Na6.4 O24.48 S3.54 Si6.12 -","- Al5.88 Ca0.94 Cl0.48 Na6.4 O24.48 S3.54 Si6.12 -","- Al11.76 Ca1.88 Cl0.96 Na12.8 O48.96 S7.08 Si12.24 -","2","0.333333","","Pobedimskaya, E.A.; Terent'eva, L.E.; Kashaev, A.A.; Sapozhnikov, A.N.; Dorokhova, G.I.","Crystal structure of bystrite","Doklady Akademii Nauk SSSR","1991","319","","873","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539628","12.8013","","12.8013","","21.4119","","90","","90","","120","","3038.74","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","(Na17.28 K4.72 Ca2) Ca8 (Si24 Al24 O96) (S O4)6 Cl5.8 F0.18","","- Al24 Ca10 Cl5.8 F0.18 K4.72 Na17.28 O120 S6 Si24 -","- Al24 Ca10.004 Cl5.8 F0.18 K4.716 Na17.28 O119.999 S6 Si24 -","- Al24 Ca10.004 Cl5.8 F0.18 K4.716 Na17.28 O119.999 S6 Si24 -","1","0.166667","","Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.","Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si, Al ordering","European Journal of Mineralogy (1,1989-)","1997","9","","21","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","168597","2020-10-21","18:00:00",""
"1540780","8.905","","8.905","","16.488","","90","","90","","120","","1132.31","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","(N H4)0.33 Al0.89 (H P O4) (H2 P O4) (H2 O)2","","- Al0.89 H5 N0.333333 O10 P2 -","- Al0.89 H5 N0.333333 O10 P2 -","- Al5.34 H30 N2 O60 P12 -","6","1","","Yakubovich, O.V.; Dadashov, M.S.","Crystal sructure of low-temperature aluminium phosphate (N H4)0.33 Al0.89 (H P O4) (H2 P O4) (H2 O)","Kristallografiya","1988","33","","848","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","171910","2020-10-21","18:00:00",""
"1540931","3.3445","","3.3445","","22.23","","90","","90","","120","","215.344","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","Al3 Zr2 C5","","- C5 Al3 Zr2 -","- C5 Al3 Zr2 -","- C10 Al6 Zr4 -","2","0.333333","","Schuster, J.C.; Nowotny, H.","Investigations of the ternary systems (Zr, Hf, Nb, Ta) - Al - C and studies on complex carbides","Journal of the Less-Common Metals","1980","71","","341","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","172115","2020-10-21","18:00:00",""
"1540932","2.9875","","2.9875","","23.35","","90","","90","","120","","180.482","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","Al2 Ti3 N2","","- Al2 N2 Ti3 -","- Al2 N2 Ti3 -","- Al4 N4 Ti6 -","2","0.333333","","Schuster, J.C.; Bauer, J.","The ternary system titanium-aluminum-nitrogen","Journal of Solid State Chemistry","1984","53","","260","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","172116","2020-10-21","18:00:00",""
"1541877","9.2199","","9.2199","","21.065","","90","","90","","120","","1550.76","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","(N (C H3)4)3 (As2 Cl9)","","- C12 H36 As2 Cl9 N3 -","- C12 H36 As2 Cl9 N3 -","- C24 H72 As4 Cl18 N6 -","2","0.333333","","Wojtas, M.; Bator, G.; Ciunik, Z.","Crystal structure, phase transition and ferroelastic properties of (N (C H3)4)3 (As2 Cl9)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","407","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","198672","2020-10-21","18:00:00",""
"1546239","18.6655","0.0011","18.6655","0.0011","8.1126","0.0005","90","","90","","120","","2447.8","0.3","195","2","195","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C126 H120 N12 -","6","1","","Zhu, Zhengbo; Seidel, Daniel","Acetic Acid Promoted Redox Annulations with Dual C-H Functionalization.","Organic letters","2017","19","11","2841","2844","10.1021/acs.orglett.7b01047","","","0.71073","MoKα","","0.0516","0.0449","","","0.0995","0.1035","","","","","","1.043","","","","has coordinates","197384","2020-10-21","18:00:00",""
"1553590","14.154","0.003","14.154","0.003","12.123","0.002","90","","90","","120","","2103.3","0.7","173","2","173","2","","","","","","","","2","P 3 1 c","P 3 -2c","159","","1,1,1-tris(3,5-di-t-butylphenyl)hepta-2,4,6-triyne","","- C49 H64 -","- C49 H64 -","- C98 H128 -","2","0.333333","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.072","0.0411","","","0.0776","0.0882","","","","","","1.035","","","","has coordinates","235174","2020-10-21","18:00:00",""
"1553683","12.8501","0.0018","12.8501","0.0018","15.709","0.003","90","","90","","120","","2246.4","0.6","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C9 H4 N2 O4 Y0.33 -","- C9 H4 N2 O4 Y0.333333 -","- C54 H24 N12 O24 Y2 -","6","1","","Liu, Kang; Li, Xu; Ma, Dingxuan; Han, Yi; Li, Baiyan; Shi, Zhan; Li, Zhenjiang; Wang, Lei","A microporous yttrium metal‒organic framework of an unusual nia topology for high adsorption selectivity of C2H2and CO2over CH4at room temperature","Materials Chemistry Frontiers","2017","1","10","1982","","10.1039/C7QM00164A","","","0.71073","MoKα","","0.0345","0.0325","","","0.089","0.0897","","","","","","1.084","","","","has coordinates","235890","2020-10-21","18:00:00",""
"1558621","23.6627","0.0012","23.6627","0.0012","10.9815","0.0006","90","","90","","120","","5325","0.5","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","","- C93 H138 I Mo3 N3 S13 -","- C93 H138 I Mo3 N3 S13 -","- C186 H276 I2 Mo6 N6 S26 -","2","0.333333","PK4027","Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P.","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","IUCrData","2020","5","7","x200939","","10.1107/S2414314620009396","","","0.71073","MoKα","","0.0427","0.0366","","","0.1004","0.1036","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","254399","2020-10-21","18:00:00",""
"1561597","16.2081","0.0002","16.2081","0.0002","13.7077","0.0004","90","","90","","120","","3118.6","0.11","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Na3 O7 Si2 Yb -","- Na3 O7 Si2 Yb -","- Na54 O126 Si36 Yb18 -","18","3","","Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Synthesis, structure, and polymorphism of A3LnSi2O7 (A=Na, K; Ln=Sm, Ho, Yb)","Journal of Solid State Chemistry","2016","235","","100","106","10.1016/j.jssc.2015.12.013","","","0.71073","MoKα","","0.0256","0.0241","","","0.053","0.0536","","","","","","1.069","","","","has coordinates","264007","2021-04-09","07:57:45",""
"1564527","11.1615","0.00005","11.1615","0.00005","21.63017","0.00019","90","","90","","120","","2333.65","0.03","","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Ca6 Cr2 H64 O50 S3 -","- Ca6 Cr2 H60 O51 S3 -","- Ca12 Cr4 H120 O102 S6 -","2","0.333333","","Yurii V. Seryotkin; Ella V. Sokol; Svetlana N. Kokh; Victor V. Sharygin","Natural bentorite-Cr3+ derivate of ettringite: determination of crystal structure","Physics and Chemistry of Minerals","2019","46","","553","570","10.1007/s00269-019-01022-4","powder diffraction","x-ray","0.39996","synchrotron","","","","","","","","0.0655","","","","","3.33","","","","has coordinates","268361","2021-09-02","09:00:00",""
"1564528","11.1927","0.0005","11.1927","0.0005","21.7121","0.001","90","","90","","120","","2355.6","0.18","293","","","","","","","","","","Arad Stone Quarry,Hatrurim Complex, Israel","7","P 3 1 c","P 3 -2c","159","","","bentorite","- C0.499 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75 -","- C0.5 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75 -","- C H120 Al0.774 Ca12 Cr3.226 O99.45 S5.5 -","2","0.333333","","Juroszek, Rafał; Krüger, Biljana; Galuskina, Irina; Krüger, Hannes; Tribus, Martina; Kürsten, Christian","Raman Spectroscopy and Single-Crystal High-Temperature Investigations of Bentorite, Ca6Cr2(SO4)3(OH)12·26H2O","Minerals","2019","10","1","38","","10.3390/min10010038","","x-ray","0.71073","MoKα","","0.0756","0.0388","","","0.0423","0.0454","","","","2.19","2.19","1.91","","","","has coordinates","268362","2021-09-02","09:04:05",""
"1566237","9.6392","0.0002","9.6392","0.0002","6.456","0.0015","90","","90","","120","","519.49","0.12","294","17","284","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- As3 Mn S6 Tl -","- As3 Mn S6 Tl -","- As6 Mn2 S12 Tl2 -","2","0.333333","","Anatoly V. Kasatkin; E Makovicky; Jakub Plasil; Radek Skoda; Nikita V. Chukanov; Sergey Y. Stepanov; Atali A. Agakhanov; Fabrizio Nestola","Gladkovskyite, MnTlAs3S6, a new thallium sulfosalt from the Vorontsovskoe gold deposit, Northern Urals, Russia","Journal of GeoSciences","2019","64","","207","218","10.3190/jgeosci.290","","x-ray","0.71073","MoKα","","0.0183","0.0178","","","0.0412","0.0414","","","","1.32","1.32","1.32","","","","has coordinates","272393","2022-02-01","10:28:05",""
"1566610","10.9208","0.0004","10.9208","0.0004","6.1774","0.0003","90","","90","","120","","638.04","0.05","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","[K3Cl][Mn2Ga6S12]","","","- Cl Ga6 K3 Mn2 S12 -","- Cl Ga6 K3 Mn2 S12 -","- Cl Ga6 K3 Mn2 S12 -","1","0.166667","","Liu, Bin-Wen; Pei, Shao-Min; Jiang, Xiao-Ming; Guo, Guo-Cong","Broad transparency and wide band gap achieved in a magnetic infrared nonlinear optical chalcogenide by suppressing d-d transitions.","Materials horizons","2022","9","5","1513","1517","10.1039/d2mh00060a","","","0.71073","MoKα","","0.0364","0.0358","","","0.096","0.0962","","","","","","1.096","","","","has coordinates","275835","2022-06-06","02:08:12",""
"1569713","16.0468","0.0004","16.0468","0.0004","9.8253","0.0003","90","","90","","120","","2191.06","0.1","120","2","120","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","[Ru(5-oxido-6-hydroxy-1,10-phenanthroline)(5,6-dihydroxy1,10-phenanthroline)2] chloride","","- C36 H23 Cl N6 O12 Ru -","- C36 H23.0001 Cl N6 O12 Ru -","- C72 H46.0002 Cl2 N12 O24 Ru2 -","2","0.333333","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.0635","0.0613","","","0.1505","0.152","","","","","","1.087","","","","has coordinates","286714","2023-10-05","23:51:58",""
"2002167","8.9983","0.0003","8.9983","0.0003","22.493","0.002","90","","90","","120","","1577.2","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","$-mue3-thio-tri-$-mue-dithio-hexachlorotrirhenium(V) chloride","","- Cl7 Re3 S7 -","- Cl7 Re3 S7 -","- Cl28 Re12 S28 -","4","0.666667","","Beck, J; Mueller-Buschbaum, K","Synthese und Kristallstrukturen der Rhenium-Dreieckscluster Re3 E7 X7 (E= S, Se; X= Cl, Br)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1212","1216","10.1002/(SICI)1521-3749(199907)625:7<1212::AID-ZAAC1212>3.0.CO;2-0","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002168","9.2635","0.0005","9.2635","0.0005","23.45219","0.0012","90","","90","","120","","1742.9","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","$-mue3-thio-tri-$-mue-dithio-hexabromotrirhenium(V) bromide *","","- Br7 Re3 S7 -","- Br7 Re3 S7 -","- Br28 Re12 S28 -","4","0.666667","","Beck, J; Mueller-Buschbaum, K","Synthese und Kristallstrukturen der Rhenium-Dreieckscluster Re3 E7 X7 (E= S, Se; X= Cl, Br)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1212","1216","10.1002/(SICI)1521-3749(199907)625:7<1212::AID-ZAAC1212>3.0.CO;2-0","","","","","","0.0243","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002169","9.476","0.0015","9.476","0.0015","23.79599","0.003","90","","90","","120","","1850.5","","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","$-mue3-seleno-tri-$-mue-diseleno-hexabromotrirhenium(V) bromide *","","- Br7 Re3 Se7 -","- Br7 Re3 Se7 -","- Br28 Re12 Se28 -","4","0.666667","","Beck, J; Mueller-Buschbaum, K","Synthese und Kristallstrukturen der Rhenium-Dreieckscluster Re3 E7 X7 (E= S, Se; X= Cl, Br)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1212","1216","10.1002/(SICI)1521-3749(199907)625:7<1212::AID-ZAAC1212>3.0.CO;2-0","","","","","","0.0589","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002880","10.79","0.001","10.79","0.001","11.822","0.002","90","","90","","120","","1192","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Potassium hexabarium heptagallium tetrazinc oxide","","- Ba6 Ga7 K O21 Zn4 -","- Ba6 Ga7.001 K O21 Zn3.999 -","- Ba12 Ga14.002 K2 O42 Zn7.998 -","2","0.333333","","Scheikowski, M; Mueller-Buschbaum, Hk","Zur Kenntnis eines Kalium-Barium-Oxogallat/-zinkats KBa6Ga7Zn4O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","155","159","10.1002/zaac.19946200125","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2007188","12.686","0.001","12.686","0.001","9.314","0.002","90","","90","","120","","1298.1","0.3","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris(N,N'-diethylthiourea)copper(I)Iodide","","- C15 H36 Cu I N6 S3 -","- C15 H36 Cu I N6 S3 -","- C30 H72 Cu2 I2 N12 S6 -","2","0.333333","MU1356","Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit","Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)","Acta Crystallographica Section C","1998","54","4","453","456","10.1107/S0108270197016764","","","0.71073","MoKα","","0.037","0.03","","0.081","0.077","","","","0.994","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007189","12.792","0.001","12.792","0.001","9.335","0.001","90","","90","","120","","1322.9","0.2","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris(N,N'-diethylthiourea)silver(I) Iodide","","- C15 H36 Ag I N6 S3 -","- C15 H36 Ag I N6 S3 -","- C30 H72 Ag2 I2 N12 S6 -","2","0.333333","MU1356","Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit","Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)","Acta Crystallographica Section C","1998","54","4","453","456","10.1107/S0108270197016764","","","0.71073","MoKα","","0.045","0.027","","0.07","0.065","","","","0.901","1.038","1.038","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008452","10.068","0.003","10.068","0.003","16.728","0.006","90","","90","","120","","1468.5","0.8","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C24 H27 Cl2 Mn N7 O8 -","- C24 H27 Cl2 Mn N7 O8 -","- C48 H54 Cl4 Mn2 N14 O16 -","2","0.333333","DA1054","Qian, Ming; Gou, Shao-Hua; He, Ling; Zhou, Yu-Ming; Duan, Chun-Ying","[Tris(2-pyridyl-κ<i>N</i>-methyleneamino-κ<i>N</i>-ethyl)amine-κ<i>N</i>]manganese(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","742","744","10.1107/S0108270198017624","","","0.71073","MoKα","","0.0844","0.0516","","0.1267","0.1165","","","","1.052","1.244","1.244","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2014261","8.2542","0.0002","8.2542","0.0002","6.9963","0.0002","90","","90","","120","","412.809","0.018","120","2","120","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","triethylammonium chloride","Triethylammonium chloride","","- C6 H16 Cl N -","- C6 H16 Cl N -","- C12 H32 Cl2 N2 -","2","0.333333","SQ1163","Churakov, Andrei V.; Howard, Judith A. K.","Redetermination of triethylammonium chloride in the space group <i>P</i>31<i>c</i>","Acta Crystallographica Section C","2004","60","8","o557","o558","10.1107/S0108270104014209","","","0.71073","MoKα","","0.0194","0.0192","","","0.0467","0.0468","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015439","36.2171","0.0001","36.2171","0.0001","7.6695","0.0001","90","","90","","120","","8712.14","0.12","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)thiazole-2(3H)-thione","","- C20 H18 Cl N O S2 -","- C20 H18 Cl N O S2 -","- C360 H324 Cl18 N18 O18 S36 -","18","3","HJ1090","Hartung, Jens; Schwarz, Michaela; Paulus, Erich F.; Svoboda, Ingrid; Fuess, Hartmut","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2006","62","7","o386","o388","10.1107/S0108270106004677","","","0.71073","MoKα","","0.0625","0.0487","","","0.0872","0.0964","","","","","","1.296","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2100902","5.4021","0.0009","5.4021","0.0009","9.175","0.001","90","","90","","120","","231.88","0.06","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100903","5.423","0.001","5.423","0.001","9.161","0.001","90","","90","","120","","233.32","0.07","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100904","5.438","0.001","5.438","0.001","9.16","0.002","90","","90","","120","","234.59","0.08","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100905","5.453","0.001","5.453","0.001","9.151","0.001","90","","90","","120","","235.65","0.07","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101297","13.9232","0.0017","13.9232","0.0017","12.02","0.0019","90","","90","","120","","2018","0.5","293","","293","","","","","","","","","3","P 3 1 c","P 3 -2c","159","2-Methyl-1,1-diphenylpropan-1-ol","2-Methyl-1,1-diphenylpropan-1-ol","","- C16 H18 O -","- C16 H18 O -","- C96 H108 O6 -","6","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.081","0.031","","0.051","0.04","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101513","12.681","0.003","12.681","0.003","16.124","0.005","90","","90","","120","","2245.5","1","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","","","","","- C29 H29 Ta -","- C40 H42 Ta -","- C160 H168 Ta4 -","4","0.666667","BK0026","Schaefer, W. P.; Marsh, R. E.; Rodriguez, G.; Bazan, G. C.","A tribenzylidenemethane‒tantalum compound: some experiences with `inversion twinning'","Acta Crystallographica Section B","1996","52","3","465","470","10.1107/S0108768195013255","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102313","12.878","","12.878","","10.938","","90","","90","","120","","1570.96","","","","","","","","","","","","","5","P 3 1 c","","159","","","","- C33 H27 N9 O4 Re2 -","- C33 H27 N9 O4 Re2 -","- C66 H54 N18 O8 Re4 -","2","0.333333","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2104479","13.085","","13.085","","14.672","0.008","90","","90","","120","","2175.5","1.2","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","tris(N-Ethylphenylamino)phosphine.","","- C24 H30 N3 P -","- C24 H30 N3 P -","- C96 H120 N12 P4 -","4","0.666667","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106021","7.6281","0.0002","7.6281","0.0002","9.8562","0.0004","90","","90","","120","","496.68","0.03","296","","296","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Lithium Sodium Sulphate","","- Li Na O4 S -","- Li Na O4 S -","- Li6 Na6 O24 S6 -","6","1","GW5036","Karppinen, Markku","Crystal structure, atomic net charges and electric moments in pyroelectric LiNaSO~4~ at 296K","Acta Crystallographica Section B","2015","71","3","334","341","10.1107/S2052520615006836","","","0.71073","MoKα","","0.0192","0.0192","","","","0.0481","","","","","","1.0162","","","","has coordinates,has Fobs","137578","2020-10-21","18:00:00",""
"2106872","6.55","","6.55","","8.98","","90","","90","","120","","333.649","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Na K (Te O3) (H2 O)3","","- H6 K Na O6 Te -","- H6 K Na O6 Te -","- H12 K2 Na2 O12 Te2 -","2","0.333333","","Daniel, F.; Moret, J.; Maurin, M.; Philippot, E.","Etude du tellurite mixte de sodium et de potassium a trois molecules d'eau: Na K Te O3 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1982","38","","703","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106928","6.646","","6.646","","5.226","","90","","90","","120","","199.904","","","","","","","","","","","","","1","P 3 1 c","P 3 -2c","159","","(Sr1.145 Ti S3).873","","- Sr -","- Sr -","- Sr6 -","6","1","","Onoda, M.; Saeki, M.; Yamamoto, A.; Kato, K.","Structure refinement of the incommensurate composite crystal Sr1.145 Ta S3 through the Rietveld analysis process","Acta Crystallographica B (39,1983-)","1993","49","","929","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107035","9.9809","","9.9809","","11.556","","90","","90","","120","","996.96","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Cd Mg2 Cl6 (H2 O)12","","- Cd Cl6 H24 Mg2 O12 -","- Cd Cl6 H24 Mg2 O12 -","- Cd2 Cl12 H48 Mg4 O24 -","2","0.333333","","Ledésert, M.; Monier, J. C.","Structure de l'hexachlorure de cadmium et dimagnésium dodécahydraté","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1981","37","3","652","654","10.1107/S0567740881003798","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2205704","10.8349","0.0007","10.8349","0.0007","14.6028","0.0013","90","","90","","120","","1484.62","0.19","298","2","298","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris({2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)cobalt(II) diperchlorate","","- C21 H30 Cl2 Co N10 O8 -","- C21 H30 Cl2 Co N10 O8 -","- C42 H60 Cl4 Co2 N20 O16 -","2","0.333333","ER6012","Chen, Hong-Mei; Yang Shi-Ping; Chen, Qiong-Qiong; Zhang, Fan; Chen Jia-Min; Yu, Xi-Bin","Tris({2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)cobalt(II) diperchlorate","Acta Crystallographica Section E","2005","61","5","m1001","m1003","10.1107/S1600536805012596","","","0.71073","MoKα","","0.055","0.0507","","","0.1331","0.1366","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211966","11.1936","0.0002","11.1936","0.0002","8.9393","0.0003","90","","90","","120","","970","0.04","295","","295","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Barium tetraammonium poly{hexakis[phosphate(V)]}","","- Ba H16 N4 O18 P6 -","- Ba H16 N4 O18 P6 -","- Ba2 H32 N8 O36 P12 -","2","0.333333","WM2082","Ivashkevich, Ludmila S.; Selevich, Anatoly F.; Lesnikovich, Anatoly I.; Lyakhov, Alexander S.","Powder diffraction study of Ba(NH~4~)~4~(PO~3~)~6~","Acta Crystallographica, Section E","2007","63","1","m16","m18","10.1107/S1600536806053864","","","1.5418","CuKα","","","","","","","","","","0.6","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2219970","8.3589","0.0002","8.3589","","7.3125","0.0002","90","","90","","120","","442.481","0.016","90","2","90","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Triethylammonium bromide","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","0.333333","PV2113","Munro, Natasha H.; Hanton, Lyall R.","A redetermination at low temperature of the structure of triethylammonium bromide","Acta Crystallographica Section E","2008","64","11","o2236","","10.1107/S1600536808034843","","","0.71073","MoKα","","0.02","0.0199","","","0.0575","0.0575","","","","","","1.241","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2230966","13.0115","0.0015","13.0115","0.0015","9.4142","0.0013","90","","90","","120","","1380.3","0.3","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Tris(6-carboxypyridine-2-carboxylato)terbium(III) 2.75-hydrate","","- C21 H17.5 N3 O14.75 Tb -","- C21 H9 N3 O13.5 Tb -","- C42 H18 N6 O27 Tb2 -","2","0.333333","ZS2104","Zebret, Soumaila; Besnard, Céline; Hamacek, Josef","Tris(6-carboxypyridine-2-carboxylato)terbium(III) 2.75-hydrate","Acta Crystallographica Section E","2011","67","7","m968","m969","10.1107/S1600536811024135","","","0.71073","MoKα","","0.0409","0.0366","","0.0818","0.08","0.0818","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237729","8.0491","0.001","8.0491","0.001","8.8953","0.0018","90","","90","","120","","499.1","0.13","153","2","153","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Poly[[(μ~4~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol)sodium] bromide]","","- C6 H15 Br N3 Na O3 -","- C6 H15 Br N3 Na O3 -","- C12 H30 Br2 N6 Na2 O6 -","2","0.333333","WM2727","Reiss, Guido J.; Hegetschweiler, Kaspar","Poly[[(μ~4~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol)sodium] bromide]","Acta Crystallographica Section E","2013","69","4","m185","m186","10.1107/S1600536813005618","","","0.71073","MoKα","","0.0361","0.0357","","","0.0778","0.0779","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240151","15.277","0.002","15.277","0.002","7.8708","0.0016","90","","90","","120","","1590.8","0.4","120","2","120","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Tris(phenylselenolato-κ<i>Se</i>)tris(tetrahydrofuran-κ<i>O</i>)thulium(III)","","- C30 H39 O3 Se3 Tm -","- C30 H39 O3 Se3 Tm -","- C60 H78 O6 Se6 Tm2 -","2","0.333333","SU5009","Takaluoma, Esther M.; Oilunkaniemi, Raija; Lehmann, Christian W.; Laitinen, Risto S.","Crystal structure of tris(phenylselenolato-κ<i>Se</i>)tris(tetrahydrofuran-κ<i>O</i>)thulium(III)","Acta Crystallographica Section E","2014","70","11","m389","","10.1107/S1600536814023733","","","0.71073","MoKα","","0.0416","0.0381","","","0.0847","0.0865","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2310658","7.753","","7.753","","5.618","","90","","90","","120","","292.45","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Si3 N4","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Ruddlesden, S.N.; Popper, P.","On the crystal structures of the nitrides of silicon and germanium","Acta Crystallographica (1,1948-23,1967)","1958","11","","465","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","151562","2020-10-21","18:00:00",""
"3000054","12.8527","0.0006","12.8527","0.0006","10.6907","0.0005","90","","90","","120","","1529.42","0.12","293","","293","","","","","","","","","7","P 3 1 c","P 3 -2c","","","","","- Al6 Ca0.92 Cl1.02 Na7.21 O24 S4.82 Si6 -","","","","","","Anatoly Sapozhnikov; Ekaterina Kaneva; Ludmila Suvorova; Valery Levitsky; Larisa Ivanova","Sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)(S5)(SH), a new cancrinite-group mineral with unusual extra-framework anions","To be published in Mineralogical Magazine","","","","","","","","","0.71073","MoKα","","0.0318","0.0307","","0.0355","0.0348","0.0345","","","","","","1.102","","","","","180659","2020-10-21","18:00:00","2016-09-01"
"3000055","12.9567","0.0006","12.9567","0.0006","10.7711","0.0005","90","","90","","120","","1565.96","0.13","293","","293","","","","","","","","","7","P 3 1 c","P 3 -2c","","","","","- Al6 Ca0.92 K1.99 Na5.1 O24 S5.54 Si6 -","","","","","","Anatoly Sapozhnikov; Ekaterina Kaneva; Ludmila Suvorova; Valery Levitsky; Larisa Ivanova","Sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)(S5)(SH), a new cancrinite-group mineral with unusual extra-framework anions","To be published in Mineralogical Magazine","","","","","","","","","0.71073","MoKα","","0.0328","0.0277","","0.04","0.0316","0.0307","","","","","","1.0678","","","","","182019","2020-10-21","18:00:00","2016-09-12"
"4000180","7.2536","0.0008","7.2536","0.0008","18.308","0.003","90","","90","","120","","834.23","0.19","571","2","571","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Dy0.62 Ga5.25 Ge Ni2 -","- Dy0.616667 Ga5.25 Ge Ni2 -","- Dy3.7 Ga31.5 Ge6 Ni12 -","6","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0","0.0487","","","0.1327","0.1389","","","","","","0.84","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000527","12.951","0.004","12.951","0.004","13.821","0.006","90","","90","","120","","2007.6","1.2","175","5","175","5","","","","","","","","4","P 3 1 c","P 3 -2c","159","Thallium Silver Titanium Selenide","","","- Ag Se27 Ti6 Tl5 -","- Ag Se27 Ti6 Tl5 -","- Ag2 Se54 Ti12 Tl10 -","2","0.333333","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4003322","22.4465","0.0009","22.4465","0.0009","38.2453","0.0018","90","","90","","120","","16688.1","1.2","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C387 H291 Cl5 Cu29 N24 -","- C387 H291 Cl5 Cu29 N24 -","- C774 H582 Cl10 Cu58 N48 -","2","0.333333","","Nguyen, Thuy-Ai D.; Jones, Zachary R.; Leto, Domenick F.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","Ligand-Exchange-Induced Growth of an Atomically Precise Cu29 Nanocluster from a Smaller Cluster","Chemistry of Materials","2016","28","22","8385","","10.1021/acs.chemmater.6b03879","","","0.71073","MoKα","","0.1383","0.0697","","","0.1578","0.1888","","","","","","1.019","","","","has coordinates","231516","2020-10-21","18:00:00",""
"4028228","9.7244","0.0004","9.7244","0.0004","20.4524","0.0012","90","","90","","120","","1674.94","0.14","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C30 H66 P2 Pd -","- C30 H66 P2 Pd -","- C60 H132 P4 Pd2 -","2","0.333333","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.0481","0.0395","","","0.0989","0.1046","","","","","","1.099","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4031210","10.07","","10.07","","14.75","","90","","90","","120","","1295.33","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Cs2 (W6 Cl8 Br6)","","- Br6 Cl8 Cs2 W6 -","- Br6 Cl8 Cs2 W6 -","- Br12 Cl16 Cs4 W12 -","2","0.333333","","Healy, P.C.; Kepert, D.L.; Taylor, D.; White, A.H.","Crystal structure of dicesium octa-mue3-chloro-hexachloro-octahedro-hexa-tungstate(II) and -molybdate(II) complexes","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1973","1973","","646","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","147447","2020-10-21","18:00:00",""
"4031211","10.06","","10.06","","14.7","","90","","90","","120","","1288.38","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Cs2 Mo6 Cl8 Br6","","- Br6 Cl8 Cs2 Mo6 -","- Br6 Cl8 Cs2 Mo6 -","- Br12 Cl16 Cs4 Mo12 -","2","0.333333","","Healy, P.C.; Taylor, D.; Kepert, D.L.; White, A.H.","Crystal structure of dicesium octa-mue3-chloro-hexachloro-octahedro-hexa-tungstate(II) and -molybdate(II) complexes","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1973","1973","","646","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","147449","2020-10-21","18:00:00",""
"4034941","17.94","0.0006","17.94","0.0006","8.4256","0.0004","90","","90","","120","","2348.42","0.16","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C114 H108 O18 S6 -","6","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","1.54178","CuKα","","0.0475","0.0377","","","0.0851","0.0894","","","","","","1.057","","","","has coordinates","226451","2020-10-21","18:00:00",""
"4038881","11.9345","0.0003","11.9345","0.0003","40.593","0.002","90","","90","","120","","5007.1","0.3","200","2","200","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C48 H66 N8 -","- C48 H66 N8 -","- C192 H264 N32 -","4","0.666667","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.2291","0.1747","","","0.391","0.4431","","","","","","1.724","","","","has coordinates","258307","2020-10-21","18:00:00",""
"4061493","14.7505","0.0006","14.7505","0.0006","15.417","0.0004","90","","90","","120","","2905","0.2","150","","150","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C64 H73 N6 O3 Sc -","- C64 H73 N6 O3 Sc -","- C128 H146 N12 O6 Sc2 -","2","0.333333","","Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip","A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands","Organometallics","2005","24","13","3136","3148","10.1021/om050209r","","","","","","","","","","","","","","","","","","","","","has coordinates","133797","2020-10-21","18:00:00",""
"4068469","11.9522","0.0006","11.9522","0.0006","11.6463","0.0005","90","","90","","120","","1440.84","0.12","125","2","125","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C19 H49 N5 Si3 Zr -","- C18.97 H48.9 N4.99 Si3 Zr -","- C37.94 H97.8 N9.98 Si6 Zr2 -","2","0.333333","","Roering, Andrew J.; Maddox, Annalese F.; Elrod, L. Taylor; Chan, Stephanie M.; Ghebreab, Michael B.; Donovan, Kyle L.; Davidson, Jillian J.; Hughes, Russell P.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory","General Preparation of (N3N)ZrX (N3N = N(CH2CH2NSiMe3)33−) Complexes from a Hydride Surrogate","Organometallics","2009","28","2","573","","10.1021/om8008684","","","0.71073","MoKα","","0.015","0.0144","","","0.0381","0.0386","","","","","","1.069","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4070839","11.2683","0.0013","11.2683","0.0014","10.2514","0.0011","90","","90","","120","","1127.3","0.2","200","2","200","2","","","","","","","synthesis as described","4","P 3 1 c","P 3 -2c","159","","","","- C25 H30 N Nb -","- C25 H30 N Nb -","- C50 H60 N2 Nb2 -","2","0.333333","","Arteaga-Müller, Rocío; Sánchez-Nieves, Javier; Ramos, Javier; Royo, Pascual; Mosquera, Marta E. G.","Isolobal Zwitterionic Niobium and Tantalum Imido and Zirconium Monocyclopentadienyl Complexes: Theoretical and Methyl Methacrylate Polymerization Studies","Organometallics","2008","27","7","1417","","10.1021/om701068h","","","0.71073","MoKα","","0.0497","0.0327","","","0.0557","0.0593","","","","","","0.999","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4075166","11.1584","0.0004","11.1584","0.0004","10.1563","0.0005","90","","90","","120","","1095.14","0.08","133.2","","133.2","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C25 H30 N Ta -","- C27 H30 N3 Ta3 -","- C54 H60 N6 Ta6 -","2","0.333333","","Anderson, Laura L.; Schmidt, Joseph A. R.; Arnold, John; Bergman, Robert G.","Neutral and Cationic Alkyl Tantalum Imido Complexes: Synthesis and Migratory Insertion Reactions.","Organometallics","2006","25","14","3394","3406","10.1021/om060081t","","","0.7107","MoKα","","0.0258","0.0239","","0.0315","0.0307","","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080294","19.1449","0.0014","19.1449","0.0014","11.9066","0.0009","90","","90","","120","","3779.4","0.5","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","complex_10b","","","- C24 H39 Si2 U -","- C24 H39 Si2 U -","- C144 H234 Si12 U6 -","6","1","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.102","0.0693","","","0.1285","0.1397","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083252","15.4058","0.0002","15.4058","0.0002","30.9544","0.0007","90","","90","","120","","6362.41","0.19","294","2","294","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C20 H16 Bi0.33 Ir O2 Sn -","- C20 H16 Bi0.333333 Ir O2 Sn -","- C240 H192 Bi4 Ir12 O24 Sn12 -","12","2","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Zhang, Qiang","Synthesis and Characterizations of Bismuth-Bridged Triiridium Carbonyl Complexes Containing Germyl/Germylene and Stannyl/Stannylene Ligands","Organometallics","2012","31","20","7264","","10.1021/om300813t","","","0.71073","MoKα","","0.0456","0.0354","","","0.0838","0.0944","","","","","","1.096","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083253","12.4372","0.0003","12.4372","0.0003","38.7624","0.0019","90","","90","","120","","5192.6","0.3","294","2","294","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C14 H10 Bi0.33 Ir O2 Sn -","- C14 H10 Bi0.333333 Ir O2 Sn -","- C168 H120 Bi4 Ir12 O24 Sn12 -","12","2","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Zhang, Qiang","Synthesis and Characterizations of Bismuth-Bridged Triiridium Carbonyl Complexes Containing Germyl/Germylene and Stannyl/Stannylene Ligands","Organometallics","2012","31","20","7264","","10.1021/om300813t","","","0.71073","MoKα","","0.0535","0.045","","","0.1055","0.1095","","","","","","1.09","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4106029","15.8846","0.0003","15.8846","0.0003","8.6025","0.0004","90","","90","","120","","1879.78","0.1","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H60 Al3 O3 Sc -","- C24 H60 Al3 O3 Sc -","- C48 H120 Al6 O6 Sc2 -","2","0.333333","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.031","0.0296","","","0.088","0.0886","","","","","","1.11","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106030","16.121","0.0004","16.121","0.0004","8.6164","0.0005","90","","90","","120","","1939.28","0.13","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H60 Al3 Nd O3 -","- C24 H60 Al3 Nd O3 -","- C48 H120 Al6 Nd2 O6 -","2","0.333333","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.016","0.0153","","","0.0417","0.0419","","","","","","1.137","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106435","18.551","0.003","18.551","0.003","16.155","0.003","90","","90","","120","","4814.7","1.4","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C127 H80 Cl2 N6 Ni6 O12 S6 -","- C127 H79.98 Cl2.01 N6 Ni6 O12 S6 -","- C254 H159.96 Cl4.02 N12 Ni12 O24 S12 -","2","0.333333","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0471","0.0444","","","0.1127","0.1145","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111904","20.2656","0.0012","20.2656","0.0012","33.203","0.004","90","","90","","120","","11809.4","1.7","118","2","118","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C152 H165 Cl Mn26 N24 O69 -","- C148.5 H153.03 Cl Mn26 N24 O63.5 -","- C297 H306.06 Cl2 Mn52 N48 O127 -","2","0.333333","","Curtis M. Zaleski; Ezra C. Depperman; Catherine Dendrinou-Samara; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Martin L. Kirk; Vincent L. Pecoraro","Metallacryptate Single-Molecule Magnets: Effect of Lower Molecular Symmetry on Blocking Temperature","Journal of the American Chemical Society","2005","127","","12862","12872","10.1021/ja050951i","","","0.71073","MoKα","","0.0361","0.0329","","","0.0976","0.0994","","","","","","1.078","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4114047","18.021","0.0003","18.021","0.0003","23.936","0.0004","90","","90","","120","","6731.94","0.19","150","1","150","1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C54 H102 Br3 O P7 Pt3 -","- C54 H102 Br3 O P7 Pt3 -","- C216 H408 Br12 O4 P28 Pt12 -","4","0.666667","","Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang","Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms","Journal of the American Chemical Society","2003","125","","9647","9652","10.1021/ja030209n","","","0.71073","MoKα","","0.0379","0.0328","","","0.0747","0.0777","","","","","","1.049","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114914","13.11","0.015","13.11","0.015","14.35","0.02","90","","90","","120","","2136","5","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- Cs1.33 H4.8 K0.67 O13.4 Si4 V -","- Cs1.33 K0.67 O12.8933 Si4 V -","- Cs7.98 K4.02 O77.36 Si24 V6 -","6","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1788","0.142","","","0.3276","0.3474","","","","","","2.424","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119618","12.3731","0.0003","12.3731","0.0003","9.802","0.0004","90","","90","","120","","1299.58","0.07","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H27 F3 Si3 -","- C21 H27 F3 Si3 -","- C42 H54 F6 Si6 -","2","0.333333","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0743","0.0471","","","0.113","0.1259","","","","","","1.039","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4122872","22.644","0.0015","22.644","0.0015","20.7045","0.0014","90","","90","","120","","9193.9","1.1","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C131 H180 F15 N16 O51 Rh9 S5 -","- C126 H156 N16 O24 Rh9 -","- C252 H312 N32 O48 Rh18 -","2","0.333333","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0675","0.0486","","","0.1264","0.1373","","","","","","0.969","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4123413","8.6819","0.0005","8.6819","0.0005","8.7423","0.0007","90","","90","","120","","570.67","0.07","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Al3 B3 F O10 Rb3 -","- Al3 B3 F O10 Rb3 -","- Al6 B6 F2 O20 Rb6 -","2","0.333333","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Liu, Sijie; Li, Lina; Asghar, Muhammad Adnan; Khan, Tariq; Hong, Maochun; Lin, Zheshuai; Luo, Junhua","Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal.","Journal of the American Chemical Society","2015","137","6","2207","2210","10.1021/ja5128314","","","0.71073","MoKα","","0.0424","0.0415","","","0.0974","0.0988","","","","","","1.221","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4124938","16.1659","0.0003","16.1659","0.0003","8.57041","0.00016","90","","90","","120","","1939.69","0.06","100","","100","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C24 H57 Lu Si6.73 -","- C24 H57 Lu Si6.737 -","- C48 H114 Lu2 Si13.474 -","2","0.333333","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","","0.71073","MoKα","","0.0277","0.0252","","","0.055","0.0558","","","","","","1.095","","","","has coordinates","181433","2020-10-21","18:00:00",""
"4129494","18.241","0.002","18.241","0.002","6.5002","0.0016","90","","90","","120","","1873.1","0.5","150","","150","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C33 H39 N9 O9 S3 -","- C33 H39 N9 O9 S3 -","- C66 H78 N18 O18 S6 -","2","0.333333","","Foster, Jamie S.; Żurek, Justyna M; Almeida, Nuno M. S.; Hendriksen, Wouter E.; le Sage, Vincent A. A.; Lakshminarayanan, Vasudevan; Thompson, Amber L.; Banerjee, Rahul; Eelkema, Rienk; Mulvana, Helen; Paterson, Martin J.; van Esch, Jan H.; Lloyd, Gareth O.","Gelation Landscape Engineering Using a Multi-Reaction Supramolecular Hydrogelator System.","Journal of the American Chemical Society","2015","137","45","14236","14239","10.1021/jacs.5b06988","","","1.5418","CuKα","","0.0791","0.0601","","0.1737","0.1528","0.1737","","","","","","0.9566","","","","has coordinates","240202","2020-10-21","18:00:00",""
"4130511","12.0529","0.001","12.0529","0.001","7.4996","0.0007","90","","90","","120","","943.52","0.14","123","","123","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H24 Al P -","- C21 H24 Al P -","- C42 H48 Al2 P2 -","2","0.333333","","Knaus, Maximilian G. M.; Giuman, Marco M.; Pöthig, Alexander; Rieger, Bernhard","End of Frustration: Catalytic Precision Polymerization with Highly Interacting Lewis Pairs.","Journal of the American Chemical Society","2016","138","24","7776","7781","10.1021/jacs.6b04129","","x-ray","0.71073","MoKα","","0.0434","0.0384","","","0.092","0.0949","","","","","","1.078","","","","has coordinates","240920","2020-10-21","18:00:00",""
"4135509","18.3642","0.0007","18.3642","0.0007","33.9939","0.0015","90","","90","","120","","9928.3","0.7","100","2","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C36 H24 I7 N6 O47 Pb2 Zr9 -","- C36 H24 I7 N6 O47 Pb2 Zr9 -","- C72 H48 I14 N12 O94 Pb4 Zr18 -","2","0.333333","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","","0.71073","MoKα","","0.0849","0.0806","","","0.2191","0.2239","","","","","","1.067","","","","has coordinates","261501","2021-02-04","03:31:08",""
"4307134","15.5804","0.0008","15.5804","0.0008","20.8694","0.0011","90","","90","","120","","4387.3","0.4","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C63 H126 Fe7 N3 O33 -","- C63 H126 Fe7 N3 O33 -","- C126 H252 Fe14 N6 O66 -","2","0.333333","","Ayuk M. Ako; Oliver Waldmann; Valeriu Mereacre; Frederik Klöwer; Ian J. Hewitt; Christopher E. Anson; Hans U. Güdel; Annie K. Powell","Odd-Numbered FeIII Complexes: Synthesis, Molecular Structure, Reactivity, and Magnetic Properties","Inorganic Chemistry","2007","46","","756","766","10.1021/ic061650s","","","0.71073","MoKα","","0.0358","0.0338","","","0.0859","0.0869","","","","","","1.051","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4308656","6.0261","0.0009","6.0261","0.0009","21.577","0.004","90","","90","","120","","678.57","0.19","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Ag4 As2 Hg5 O10 -","- Ag4 As2 Hg5 O10 -","- Ag8 As4 Hg10 O20 -","2","0.333333","","Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky","Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4","Inorganic Chemistry","2005","44","","1443","1451","10.1021/ic0484912","","","0.71073","MoKα","","0.0501","0.048","","","0.1356","0.1368","","","","","","1.132","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4314299","16.587","0.007","16.587","0.007","12.883","0.007","90","","90","","120","","3070","2","173","2","173","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C48 H108 O4 P Si3 V -","- C48 H108 O4 P Si3 V -","- C96 H216 O8 P2 Si6 V2 -","2","0.333333","","Adam S. Veige; LeGrande M. Slaughter; Emil B. Lobkovsky; Peter T. Wolczanski; Nikita Matsunaga; Stephen A. Decker; Thomas R. Cundari","Symmetry and Geometry Considerations of Atom Transfer: Deoxygenation of (silox)3WNO and R3PO (R = Me, Ph,tBu) by (silox)3M (M = V, NbL (L = PMe3, 4-Picoline), Ta; silox =tBu3SiO)","Inorganic Chemistry","2003","42","","6204","6224","10.1021/ic0300114","","","0.71073","MoKα","","0.0817","0.0735","","","0.1965","0.2043","","","","","","1.074","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314573","19.3666","0.0004","19.3666","0.0004","28.7185","0.0016","90","","90","","120","","9328.2","0.6","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","tris{4-(4-pyridyl)phenylester)cyclotriguaiacylene acetonitrile water clathrate","","- C66.67 H55.67 B0 N6.33 O9.33 -","- C66.6667 H54.99 N6.33333 O9.33333 -","- C400 H329.94 N38 O56 -","6","1","","Tanya K. Ronson; Christopher Carruthers; Julie Fisher; Thierry Brotin; Lindsay P. Harding; Pierre J. Rizkallah; Michaele J. Hardie","Tripodal 4-Pyridyl-Derived Host Ligands and Their Metallo-Supramolecular Chemistry: Stella Octangula and Bowl-Shaped Assemblies","Inorganic Chemistry","2010","49","","675","685","10.1021/ic901972h","","","0.71073","MoKα","","0.0938","0.0763","","","0.2179","0.2447","","","","","","1.091","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4316745","12.53","0.003","12.53","0.003","12.656","0.004","90","","90","","120","","1720.8","0.8","213","2","213","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H48 Fe3 N6 O18 -","- C24.036 H48 Fe3 N6 O18 -","- C48.072 H96 Fe6 N12 O36 -","2","0.333333","","Thomas L. Hatfield; Richard J. Staples; David T. Pierce","Structure Change Associated with the [MII/III1,4,7-Triazacyclononane-N,N',N''-triacetate (TCTA)]-/0 Electron Transfers (M = Mn, Fe, and Ni): Crystal Structure for [FeII(H2O)6][FeII(TCTA)]2","Inorganic Chemistry","2010","49","","9312","9320","10.1021/ic100933t","","","0.71073","MoKα","","0.0331","0.0275","","","0.0594","0.0629","","","","","","1.13","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4316962","12.0855","0.0007","12.0855","0.0007","14.0024","0.001","90","","90","","120","","1771.18","0.19","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H21 Eu N10 O9 -","- C24 H21 Eu N10 O9 -","- C48 H42 Eu2 N20 O18 -","2","0.333333","","Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su","Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption","Inorganic Chemistry","2010","49","","10166","10173","10.1021/ic1014384","","","0.71073","MoKα","","0.0618","0.0586","","","0.1543","0.1579","","","","","","1.053","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316963","12.0415","0.0007","12.0415","0.0007","14.1138","0.001","90","","90","","120","","1772.29","0.19","473","2","473","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H21 Gd N10 O9 -","- C24 H21 Gd N10 O9 -","- C48 H42 Gd2 N20 O18 -","2","0.333333","","Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su","Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption","Inorganic Chemistry","2010","49","","10166","10173","10.1021/ic1014384","","","0.71073","MoKα","","0.0728","0.0668","","","0.1925","0.1996","","","","","","1.074","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316964","11.8","0.001","11.8","0.001","14.033","0.002","90","","90","","120","","1692.2","0.3","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H25 Gd N10 O11 -","- C24 H21 Gd N10 O10.99 -","- C48 H42 Gd2 N20 O21.98 -","2","0.333333","","Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su","Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption","Inorganic Chemistry","2010","49","","10166","10173","10.1021/ic1014384","","","0.71073","MoKα","","0.0268","0.0222","","","0.0573","0.0614","","","","","","1.064","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316965","12.0072","0.0004","12.0072","0.0004","14.1282","0.0006","90","","90","","120","","1764.01","0.11","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H23 Er N10 O10 -","- C24 H21 Er N10 O10 -","- C48 H42 Er2 N20 O20 -","2","0.333333","","Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su","Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption","Inorganic Chemistry","2010","49","","10166","10173","10.1021/ic1014384","","","0.71073","MoKα","","0.0566","0.0407","","","0.0955","0.098","","","","","","1.06","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316966","11.9877","0.0004","11.9877","0.0004","14.2824","0.0005","90","","90","","120","","1777.48","0.1","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H27 N10 Nd O12 -","- C24 H21 N10 Nd O12 -","- C48 H42 N20 Nd2 O24 -","2","0.333333","","Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su","Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption","Inorganic Chemistry","2010","49","","10166","10173","10.1021/ic1014384","","","0.71073","MoKα","","0.0434","0.0357","","","0.0869","0.0915","","","","","","1.098","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316967","11.9067","0.0004","11.9067","0.0004","14.123","0.0005","90","","90","","120","","1733.97","0.1","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H23 Gd N10 O10 -","- C24 H21 Gd N10 O10 -","- C48 H42 Gd2 N20 O20 -","2","0.333333","","Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su","Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption","Inorganic Chemistry","2010","49","","10166","10173","10.1021/ic1014384","","","0.71073","MoKα","","0.0435","0.0335","","","0.0647","0.0657","","","","","","1.066","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4317694","15.7547","0.0003","15.7547","0.0003","7.9316","0.0001","90","","90","","120","","1704.95","0.05","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C27 H28 Cd3 O26 -","- C27 H9 Cd3 O26 -","- C54 H18 Cd6 O52 -","2","0.333333","","Jing-Cao Dai; Xin-Tao Wu; Zhi-Yong Fu; Chuan-Peng Cui; Sheng-Min Hu; Wen-Xin Du; Li-Ming Wu; Han-Hui Zhang; Rui-Qing Sun","Synthesis, Structure, and Fluorescence of the Novel Cadmium(II)-Trimesate Coordination Polymers with Different Coordination Architectures","Inorganic Chemistry","2002","41","","1391","1396","10.1021/ic010794y","","","0.71073","MoKα","","0.0313","0.0267","","","0.0576","0.0637","","","","","","1.115","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4318190","9.1716","0.000035","9.1716","","6.51758","0.00004","90","","90","","120","","474.796","0.003","","","","","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C Ag2 O3 -","- C Ag2 O2.99997 -","- C6 Ag12 O17.9998 -","6","1","","P. Norby; R. Dinnebier; A. N. Fitch","Decomposition of Silver Carbonate; the Crystal Structure of Two High-Temperature Modifications of Ag2CO3","Inorganic Chemistry","2002","41","","3628","3637","10.1021/ic0111177","powder diffraction","","","","","","","","","","","","","0.46","","","","","","","has coordinates,has Fobs","179261","2020-10-21","18:00:00",""
"4319305","13.5713","0.0004","13.5713","0.0004","13.9367","0.0006","90","","90","","120","","2222.97","0.13","153","2","153","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Ag Cs5 Se27 Ti6 -","- Ag Cs5 Se27 Ti6 -","- Ag2 Cs10 Se54 Ti12 -","2","0.333333","","Fu Qiang Huang; James A. Ibers","Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27","Inorganic Chemistry","2001","40","","865","869","10.1021/ic000843r","","","0.71073","MoKα","","0.0224","0.0199","","","0.0462","0.0473","","","","","","0.953","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319307","13.2656","0.0014","13.2656","0.0014","13.908","0.002","90","","90","","120","","2119.6","0.4","153","2","153","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Ag Rb5 Se27 Ti6 -","- Ag Rb5 Se27 Ti6 -","- Ag2 Rb10 Se54 Ti12 -","2","0.333333","","Fu Qiang Huang; James A. Ibers","Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27","Inorganic Chemistry","2001","40","","865","869","10.1021/ic000843r","","","0.71073","MoKα","","0.0283","0.0233","","","0.0498","0.0514","","","","","","0.918","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4322789","15.272","0.003","15.272","0.003","7.887","0.002","90","0.01","90","0.01","120","0.01","1593.1","0.6","153","5","153","5","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C30 H39 Er O3 Se3 -","- C30 H39 Er O3 Se3 -","- C60 H78 Er2 O6 Se6 -","2","0.333333","","Jongseong Lee; Deborah Freedman; Jonathan H. Melman; Meggan Brewer; Lei Sun; T. J. Emge; F. H. Long; John G. Brennan","Trivalent Lanthanide Chalcogenolates: Ln(SePh)3, Ln2(EPh)6, Ln4(SPh)12, and [Ln (EPh)3]n(E = S, Se). How Metal, Chalcogen, and Solvent Influence Structure","Inorganic Chemistry","1998","37","","2512","2519","10.1021/ic9716161","","","0.71073","MoKα","","0.0181","0.0169","","","0.0401","0.0404","","","","","","0.998","","","","has coordinates","179330","2020-10-21","18:00:00",""
"4324153","11.1768","0.0003","11.1768","0.0003","12.059","0.0006","90","","90","","120","","1304.6","0.08","153","2","153","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C16 H43 Ga4 N7 -","- C16 H42.97 Ga4 N7 -","- C32 H85.94 Ga8 N14 -","2","0.333333","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.0311","0.03","","","0.0708","0.071","","","","","","1.061","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4326107","13.0585","0.0003","13.0585","0.0003","21.1922","0.0005","90","","90","","120","","3129.63","0.13","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","Tris{η^3^-μ-1,3-bis[(2-pyridyl)methyl]-4,5-dihydroimidazol-2- ylidene}trisilver(I) tetrafluoroborate acetonitrile tetrasolvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(2-pyridyl-κN)methyl]- 4,5-dihydro-2<i>H</i>-imidazol-2-ylidene-κC}trisilver(I) 3(Ag—Ag) tetrafluoroborate ethanenitrile tetrasolvate","","- C53 H60 Ag3 B3 F12 N16 -","- C53 H59.97 Ag3 B3 F12 N16 -","- C106 H119.94 Ag6 B6 F24 N32 -","2","0.333333","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0482","0.0373","","","0.1097","0.1154","","","","","","1.089","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326117","13.314","0.0002","13.314","0.0002","21.1719","0.0006","90","","90","","120","","3250.18","0.12","123","","123","","","","","","","","see text","5","P 3 1 c","P 3 -2c","159","","","","- As12 Cl Cu P4 S12 -","- As12 Cl Cu P4 S12 -","- As48 Cl4 Cu4 P16 S48 -","4","0.666667","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers","Inorganic Chemistry","2011","50","","8477","8483","10.1021/ic201060b","","x-ray","1.54178","CuKα","","0.0468","0.0459","","","0.1161","0.1168","","","","","","1.062","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326118","13.41427","0.00008","13.41427","0.00008","21.48248","0.00012","90","","90","","120","","3347.72","0.03","295","","295","","","","","","","","see text","5","P 3 1 c","P 3 -2c","159","","","","- As12 Br Cu P4 S12 -","- As12 Br Cu P4 S12 -","- As48 Br4 Cu4 P16 S48 -","4","0.666667","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers","Inorganic Chemistry","2011","50","","8477","8483","10.1021/ic201060b","","x-ray","1.5418","CuKα","","0.0347","0.0344","","","0.0953","0.0959","","","","","","1.094","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4329220","21.122","0.002","21.122","0.002","24.4","0.006","90","","90","","120","","9427","3","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C169 H181 Cl3 N12 O24 Ru6 -","- C169 H181 Cl3 N12 O24 Ru6 -","- C338 H362 Cl6 N24 O48 Ru12 -","2","0.333333","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.0646","0.0497","","","0.1199","0.1291","","","","","","1.026","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4332439","16.2027","0.0003","16.2027","0.0003","25.0578","0.001","90","","90","","120","","5697","0.3","273","2","273","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C21.67 H47.33 In4 N3.33 S8 -","- C16.51 In4 N3.00333 S8 -","- C99.06 In24 N18.02 S48 -","6","1","","Zhang, Qichun; Bu, Xianhui; Han, Lei; Feng, Pingyun","Two-Dimensional Indium Sulfide Framework Constructed from Pentasupertetrahedral P1 and Supertetrahedral T2 Clusters","Inorganic Chemistry","2006","45","17","6684","6687","10.1021/ic060367q","","","0.71073","MoKα","","0.0765","0.0515","","","0.1275","0.1437","","","","","","1.04","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4333165","13.65","0.0006","13.65","0.0006","13.6565","0.0011","90","","90","","120","","2203.6","0.2","150","1","150","1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C6 H4 B N6 Na S6 -","- C6 H4 B N6 Na S6 -","- C36 H24 B6 N36 Na6 S36 -","6","1","","Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.","Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains","Inorganic Chemistry","2006","45","26","10998","11007","10.1021/ic0615877","","","0.71073","MoKα","","0.053","0.0479","","","0.0861","0.088","","","","","","1.004","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4334037","7.2595","0.0006","7.2595","0.0006","12.4867","0.0013","90","","90","","120","","569.89","0.09","298","0.2","298","0.2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Na2 O14 Se W3 -","- Na2.00001 O14 Se W3 -","- Na4.00002 O28 Se2 W6 -","2","0.333333","","Sau Doan Nguyen; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of Two New Polar Sodium Tungsten Selenites: Na2(WO3)3(SeO3).2H2O and Na6(W6O19)(SeO3)2","Inorganic Chemistry","2013","52","","2637","2647","10.1021/ic3026705","","","0.71073","MoKα","","0.0391","0.0363","","","0.0855","0.087","","","","","","1.03","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334221","14.3551","0.0008","14.3551","0.0008","10.1132","0.0011","90","","90","","120","","1804.8","0.2","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H37 N6 O29 S7 Sm3 -","- C12 H36 N6 O29 S7 Sm3 -","- C24 H72 N12 O58 S14 Sm6 -","2","0.333333","","Deng Zhang; Yun Lu; Dunru Zhu; Yan Xu","(C4N2H12)3[Ln3(OH)(SO4)7] (Ln = Sm, Eu, and Tb): A Series of Honeycomb-like Open-Framework Lanthanide Sulfates with Extra-Large Channels Containing 24-Membered Rings","Inorganic Chemistry","2013","52","","3253","3258","10.1021/ic3027682","","","0.71073","MoKα","","0.0325","0.0278","","","0.0449","0.0462","","","","","","0.982","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334222","14.328","0.0009","14.328","0.0009","10.0966","0.0007","90","","90","","120","","1795.1","0.2","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H37 Eu3 N6 O29 S7 -","- C12 H36 Eu3 N6 O29 S7 -","- C24 H72 Eu6 N12 O58 S14 -","2","0.333333","","Deng Zhang; Yun Lu; Dunru Zhu; Yan Xu","(C4N2H12)3[Ln3(OH)(SO4)7] (Ln = Sm, Eu, and Tb): A Series of Honeycomb-like Open-Framework Lanthanide Sulfates with Extra-Large Channels Containing 24-Membered Rings","Inorganic Chemistry","2013","52","","3253","3258","10.1021/ic3027682","","","0.71073","MoKα","","0.0201","0.0197","","","0.0454","0.0454","","","","","","1.045","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334223","14.2698","0.0016","14.2698","0.0016","10.066","0.002","90","","90","","120","","1775.1","0.5","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H37 N6 O29 S7 Tb3 -","- C12 H36 N6 O29 S7 Tb3 -","- C24 H72 N12 O58 S14 Tb6 -","2","0.333333","","Deng Zhang; Yun Lu; Dunru Zhu; Yan Xu","(C4N2H12)3[Ln3(OH)(SO4)7] (Ln = Sm, Eu, and Tb): A Series of Honeycomb-like Open-Framework Lanthanide Sulfates with Extra-Large Channels Containing 24-Membered Rings","Inorganic Chemistry","2013","52","","3253","3258","10.1021/ic3027682","","","0.71073","MoKα","","0.0292","0.0261","","","0.0487","0.0533","","","","","","1.095","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4338199","13.4323","0.0005","13.4323","0.0005","11.6144","0.0004","90","","90","","120","","1814.8","0.11","100","2","100","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C42 H54 Fe N7 -","- C36 H48 Fe N7 -","- C72 H96 Fe2 N14 -","2","0.333333","","Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R.","Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand.","Inorganic chemistry","2014","53","9","4450","4458","10.1021/ic500102c","","","0.71073","MoKα","","0.0285","0.0271","","","0.0757","0.0767","","","","","","0.931","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4342056","16.3126","0.0003","16.3126","0.0003","27.3343","0.0004","90","","90","","120","","6299.19","0.19","293","2","293","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C90 H66 F12 N12 P8 S14 W6 -","- C90 H66 F12 N12 P8 S14 W6 -","- C180 H132 F24 N24 P16 S28 W12 -","2","0.333333","","Beltrán, Tomás F; Pino-Chamorro, Jose Ángel; Fernández-Trujillo, M Jesús; Safont, Vicent S.; Basallote, Manuel G.; Llusar, Rosa","Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides.","Inorganic chemistry","2015","54","2","607","618","10.1021/ic5025313","","x-ray","1.54184","CuKα","","0.0485","0.0413","","","0.1221","0.1257","","","","","","1.134","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342888","14.2498","0.0018","14.2498","0.0018","18.506","0.003","90","","90","","120","","3254.3","0.8","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C59 H108 Ca3 N12 O2 Si -","- C58.9992 H107.998 Ca3 N12 O1.9998 Si -","- C117.998 H215.997 Ca6 N24 O3.9996 Si2 -","2","0.333333","","Leich, Valeri; Spaniol, Thomas P.; Okuda, Jun","Formation of a Cationic Calcium Hydride Cluster with a ""Naked"" Triphenylsilyl Anion by Hydrogenolysis of Bis(triphenylsilyl)calcium.","Inorganic chemistry","2015","54","10","4927","4933","10.1021/acs.inorgchem.5b00527","","","0.71073","MoKα","","0.0677","0.055","","","0.123","0.1314","","","","","","1.09","","","","has coordinates,has disorder","138107","2020-10-21","18:00:00",""
"4349229","10.0857","0.0003","10.0857","0.0003","7.2134","0.0004","90","","90","","120","","635.45","0.04","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C6 H14 N5 O10 -","- C6 H17 N5 O10 -","- C12 H34 N10 O20 -","2","0.333333","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0367","0.0362","","","0.0893","0.09","","","","","","1.061","","","","has coordinates","233743","2020-10-21","18:00:00",""
"4349262","12.8867","0.0014","12.8867","0.0014","12.3936","0.0016","90","","90","","120","","1782.4","0.4","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C40 H33 Cd N3 O S3 Si -","- C39.9994 H32.9994 Cd N3 O S3 Si -","- C79.9988 H65.9988 Cd2 N6 O2 S6 Si2 -","2","0.333333","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0454","0.0343","","","0.0758","0.0807","","","","","","1.036","","","","has coordinates,has disorder","233781","2020-10-21","18:00:00",""
"4350672","20.6829","0.0003","20.6829","0.0003","27.1011","0.0005","90","","90","","120","","10040.2","0.3","123","","123","","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C25 H27 F12 Fe N9 O2 P2 -","- C25 H27 F12.002 Fe N9 O2 P2 -","- C300 H324 F144.024 Fe12 N108 O24 P24 -","12","2","","Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(N-heterocyclic carbene) complexes of iron(II).","Inorganic chemistry","2014","53","18","9598","9606","10.1021/ic500959m","","x-ray","0.71073","MoKα","","0.0455","0.0429","","","0.1145","0.1171","","","","","","1.058","","","","has coordinates,has disorder","239982","2020-10-21","18:00:00",""
"4502209","12.8832","0.0018","12.8832","0.0018","17.084","0.003","90","","90","","120","","2455.7","0.6","153","2","153","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C33 H48 Cl Cu3 Mo N12 O5 S3 -","- C33 H48 Cl Cu3 Mo N12 O5 S3 -","- C66 H96 Cl2 Cu6 Mo2 N24 O10 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0289","0.0286","","","0.0873","0.0875","","","","","","1.101","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502210","12.792","0.002","12.792","0.002","17.586","0.004","90","","90","","120","","2492.2","0.8","193","2","193","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C39 H55 Cl Cu3 Mo N13 O5 S3 -","- C39 H54.99 Cl Cu3 Mo N12.99 O5 S3 -","- C78 H109.98 Cl2 Cu6 Mo2 N25.98 O10 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0351","0.0333","","","0.0624","0.0633","","","","","","1.113","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502211","12.9099","0.0018","12.9099","0.0018","17.582","0.004","90","","90","","120","","2537.7","0.8","223","2","223","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C39 H60 Cl Cu3 Mo N12 O5 S3 -","- C39 H60 Cl Cu3 Mo N12 O5 S3 -","- C78 H120 Cl2 Cu6 Mo2 N24 O10 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0438","0.0407","","","0.0823","0.0834","","","","","","1.112","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502212","12.8184","0.0018","12.8184","0.0018","17.258","0.004","90","","90","","120","","2455.8","0.7","193","2","193","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C36 H48 Cl Cu3 Mo N13 O6 S3 -","- C35.97 H48 Cl Cu3 Mo N12.99 O5.99 S3 -","- C71.94 H96 Cl2 Cu6 Mo2 N25.98 O11.98 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0306","0.0291","","","0.0601","0.0607","","","","","","1.092","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502213","12.8873","0.0018","12.8873","0.0018","17.305","0.004","90","","90","","120","","2489","0.8","223","2","223","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C34 H51 Cl Cu3 Mo N13 O6 S3 -","- C33.99 H50.97 Cl Cu3 Mo N12.99 O5.99 S3 -","- C67.98 H101.94 Cl2 Cu6 Mo2 N25.98 O11.98 S6 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0368","0.0344","","","0.0699","0.0709","","","","","","1.135","","","","has coordinates,has disorder","179553","2020-10-21","18:00:00",""
"4502214","12.8409","0.0018","12.8409","0.0018","17.225","0.003","90","","90","","120","","2459.7","0.6","193","2","193","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C33 H54 Cl Cu3 N12 O8 S3 W -","- C33 H54 Cl Cu3 N12 O8 S3 W -","- C66 H108 Cl2 Cu6 N24 O16 S6 W2 -","2","0.333333","","Zhang, Wen-Hua; Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Zhang, Yong; Lang, Jian-Ping","How Does a Non-C3-Symmetry Guest Molecule Fit into aC3-Symmetry Host Cavity?","Crystal Growth & Design","2010","10","1","3","","10.1021/cg9006636","","","0.71073","MoKα","","0.0372","0.0341","","","0.0781","0.0799","","","","","","0.998","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4504422","34.3092","0.0016","34.3092","","14.4613","0.0004","90","","90","","120","","14742.1","0.8","100","2","100","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C43 H40 O5 -","- C43 H40 O5 -","- C774 H720 O90 -","18","3","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","0.71073","MoKα","","0.1051","0.0698","","","0.1348","0.1528","","","","","","1.002","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504423","33.821","0.004","33.821","","14.57","0.002","90","","90","","120","","14433","3","153","2","153","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C42 H38 O5 -","- C42 H38 O5 -","- C756 H684 O90 -","18","3","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","0.71073","MoKα","","0.0915","0.0563","","","0.129","0.1535","","","","","","1.016","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4508225","12.753","0.0018","12.753","0.0018","18.546","0.004","90","","90","","120","","2612.2","0.8","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H18 Co2 O19 Ti -","- C24 H6 Co2.01 O19 Ti0.99 -","- C48 H12 Co4.02 O38 Ti1.98 -","2","0.333333","","Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil","Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks","Crystal Growth & Design","2013","13","9","4066","","10.1021/cg4009009","","","0.70001","Synchrotron","","0.0735","0.0646","","","0.173","0.1814","","","","","","0.993","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4509702","33.4127","0.0012","33.4127","","14.6986","0.0003","90","","90","","120","","14211.2","0.6","100","2","100","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C41 H36 O5 -","- C41 H36 O5 -","- C738 H648 O90 -","18","3","","Martin, Adam D.; Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Aromatic Solvent Specific Induced Arrays of Calix[5]arenes","Crystal Growth & Design","2009","9","11","4864","","10.1021/cg900682c","","","0.71073","MoKα","","0.206","0.1618","","","0.3625","0.3983","","","","","","1.002","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4510963","13.751","0.0011","13.751","0.0011","17.986","0.003","90","","90","","120","","2945.3","0.6","296","2","296","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C39 H43 Cu6 F9 N24 O11 S3 -","- C39 H43 Cu6 F9 N24 O11 S3 -","- C78 H86 Cu12 F18 N48 O22 S6 -","2","0.333333","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo","Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers","Crystal Growth & Design","2010","10","7","3120","","10.1021/cg1002397","","","0.71073","MoKα","","0.0512","0.0345","","","0.0972","0.1092","","","","","","1.046","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4512045","17.033","0.005","17.033","0.005","13.928","0.005","90","0.005","90","0.005","120","0.005","3499.5","1.9","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.333333","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.083","0.0586","","","0.1396","0.1528","","","","","","1.024","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4515145","7.9525","0.001","7.9525","","5.7712","0.0009","90","","90","","120","","316.09","0.06","296","","296","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Al2 Ca N8 Si4 -","- Al1.9998 Ca N8 Si4.0002 -","- Al3.9996 Ca2 N16 Si8.0004 -","2","0.333333","","Hasegawa, Shota; Hasegawa, Takuya; Kim, Sun Woog; Yamanashi, Ryota; Uematsu, Kazuyoshi; Toda, Kenji; Sato, Mineo","Single Crystal Growth and Crystal Structure Analysis of Novel Orange-Red Emission Pure Nitride CaAl<sub>2</sub>Si<sub>4</sub>N<sub>8</sub>:Eu<sup>2+</sup> Phosphor.","ACS omega","2019","4","6","9939","9945","10.1021/acsomega.9b00606","","","0.71075","MoKα","","0.0261","0.0261","","","0.0655","0.0656","","","","","","1.107","","","","has coordinates","220255","2020-10-21","18:00:00",""
"4515454","16.6264","0.0007","16.6264","0.0007","24.25","0.0013","90","","90","","120","","5805.5","0.5","200","2","200","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C57 H36 Co3 N15 O7 -","- C57 H36 Co3 N15 O7 -","- C114 H72 Co6 N30 O14 -","2","0.333333","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0795","0.0517","","","0.1344","0.1491","","","","","","1.004","","","","has coordinates,has disorder","225608","2020-10-21","18:00:00",""
"4515455","16.6138","0.0008","16.6138","0.0008","24.2258","0.0012","90","","90","","120","","5790.9","0.5","200","2","200","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C57 H36 Cl Co3 N15 O11 -","- C57 H36 Cl Co3 N15 O10.9996 -","- C114 H72 Cl2 Co6 N30 O21.9992 -","2","0.333333","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0945","0.0587","","","0.1499","0.179","","","","","","1.045","","","","has coordinates,has disorder","225609","2020-10-21","18:00:00",""
"4518074","14.5635","0.0017","14.5635","0.0017","12.1646","0.0014","90","","90","","120","","2234.4","0.4","100","","100","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C40 H50 Dy F9 N4 O4 -","- C40.0002 H49.9998 Dy F9 N4 O4 -","- C80.0004 H99.9996 Dy2 F18 N8 O8 -","2","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0397","0.0342","","","0.0885","0.0915","","","","","","1.076","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4518077","14.5759","0.0013","14.5759","0.0013","12.1484","0.0011","90","","90","","120","","2235.2","0.3","100","","100","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C40 H50 F9 N4 Nd O4 -","- C39.9996 H49.9992 F9 N4 Nd O4 -","- C79.9992 H99.9984 F18 N8 Nd2 O8 -","2","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.023","0.0196","","","0.0474","0.0486","","","","","","1.055","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518409","11.5721","0.0001","11.5721","0.0001","12.3576","0.0003","90","","90","","120","","1433.14","0.04","100","1","100","0.1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H36 Co I2 O6 S6 -","- C12 H36 Co I2 O6 S6 -","- C24 H72 Co2 I4 O12 S12 -","2","0.333333","","Ustinova, Marina I.; Mikheeva, Maria M.; Shilov, Gennadii V.; Dremova, Nadezhda N.; Frolova, Lyubov; Stevenson, Keith J.; Aldoshin, Sergey M.; Troshin, Pavel A.","Partial Substitution of Pb2+ in CsPbI3 as an Efficient Strategy To Design Fairly Stable All-Inorganic Perovskite Formulations","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c18061","","","0.7107","MoKα","","0.0423","0.0324","","","0.0835","0.0932","","","","","","0.929","","","","has coordinates,has disorder","261113","2021-01-21","22:11:35",""
"7009095","18.422","0.003","18.422","0.003","10.405","0.002","90","","90","","120","","3058.1","0.9","293","2","293","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","Barium molybdenum nitride","tribarium molybdenum(VI) tetranitride","","- Ba3 Mo N4 -","- Ba3 Mo N4 -","- Ba54 Mo18 N72 -","18","3","","Francesconi, M. Grazia; Barker, Marten G.; Cooke, Paul A.; Blake, Alexander J.","Preparation and structural characterisation of the trigonal nitridometalate Ba3MoN4","Journal of the Chemical Society, Dalton Transactions","2000","","11","1709","","10.1039/a908546g","","","0.71073","MoKα","","0.0538","0.0493","","","0.1271","0.1293","","","","","","1.074","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7010774","15.6242","0.0002","15.6242","0.0002","20.2437","0.0005","90","","90","","120","","4279.73","0.13","133","2","133","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H95 O18 P9 Pd16 -","- C42.019 H95.058 O18 P9 Pd16 -","- C84.038 H190.116 O36 P18 Pd32 -","2","0.333333","","Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.","High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2731","","10.1039/b103547a","","","0.71073","MoKα","","0.0333","0.0321","","","0.0841","0.086","","","","","","1.18","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7011120","9.369","0.003","9.369","0.003","28.603","0.006","90","","90","","120","","2174.3","1.1","150","2","150","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C15 H21 B F4 N4 Na2 Ni O6 -","- C15 H21 B F4 N4 Na2 Ni O6 -","- C60 H84 B4 F16 N16 Na8 Ni4 O24 -","4","0.666667","","Dan M. J. Doble; Alexander J. Blake; Wan-Sheung Li; Martin Schröder","Na±Mediated aggregation of imino-carboxylate transition metal complexes","J. Chem. Soc., Dalton Trans.","2001","","21","3137","3139","10.1039/b107873a","","","0.71073","MoKα","","0.0801","0.0694","","","0.1749","0.1885","","","","","","1.056","","","","has coordinates,has disorder","290444","2024-03-12","09:55:29",""
"7013955","16.2345","0.001","16.2345","0.001","8.6294","0.0003","90","","90","","120","","1969.65","0.18","173","2","173","2","","","","","","","synthesis as described","4","P 3 1 c","P 3 -2c","159","[Y{CH(SiMe3)2}3]'","","","- C21 H57 Si6 Y -","- C21 H57 Si6 Y -","- C42 H114 Si12 Y2 -","2","0.333333","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.71073","MoKα","","0.0582","0.0475","","","0.1144","0.1193","","","","","","1.102","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013956","16.3636","0.0008","16.3636","0.0008","8.595","0.0004","90","","90","","120","","1993.12","0.17","173","2","173","2","","","","","","","synthesis as described","4","P 3 1 c","P 3 -2c","159","[Ce{CH(SiMe3)2}3]","","","- C21 H57 Ce Si6 -","- C21 H57 Ce Si6 -","- C42 H114 Ce2 Si12 -","2","0.333333","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.7107","MoKα","","0.0509","0.0439","","","0.1142","0.1185","","","","","","1.052","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013958","15.9563","0.0003","15.9563","0.0003","9.6101","0.0002","90","","90","","120","","2118.96","0.07","173","2","173","2","","","","","","","synthesis as described","5","P 3 1 c","P 3 -2c","159","[Ce{CH(SiMe3)(SiMe2OMe)}3]","","","- C21 H57 Ce O3 Si6 -","- C21 H57 Ce O3 Si6 -","- C42 H114 Ce2 O6 Si12 -","2","0.333333","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.7107","MoKα","","0.0333","0.0292","","","0.0862","0.0885","","","","","","1.159","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7015090","13.814","0.0002","13.814","0.0002","19.9012","0.0002","90","","90","","120","","3288.89","0.08","120","2","120","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H47.88 Br1.96 Co28.18 K O69.65 -","- C12 H43 Br1.953 Co28.18 K O69.6504 -","- C24 H86 Br3.906 Co56.36 K2 O139.301 -","2","0.333333","","Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.","Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2983","2994","10.1039/c0dt01007c","","","0.71073","MoKα","","0.042","0.0405","","","0.099","0.1003","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015092","13.7854","0.0004","13.7854","0.0004","19.7548","0.0009","90","","90","","120","","3251.2","0.2","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H48.27 Br2.16 Co28.3 Na O69.86 -","- C12 H42.994 Br2.156 Co28.306 Na O69.8584 -","- C24 H85.988 Br4.312 Co56.612 Na2 O139.717 -","2","0.333333","","Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.","Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2983","2994","10.1039/c0dt01007c","","","0.71073","MoKα","","0.0896","0.0556","","","0.1221","0.1365","","","","","","0.994","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017770","18.9863","0.0011","18.9863","0.0011","18.0965","0.001","90","","90","","120","","5649.4","0.6","213","2","213","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","[Zn4O{(Metrz-pba)2mPh}3]-8DMF","","","- C102 H110 N26 O21 Zn4 -","- C78 H54 N18 O13 Zn4 -","- C156 H108 N36 O26 Zn8 -","2","0.333333","","Lincke, Jörg; Lässig, Daniel; Stein, Karolin; Moellmer, Jens; Kuttatheyil, Anusree Viswanath; Reichenbach, Christian; Moeller, Andreas; Staudt, Reiner; Kalies, Grit; Bertmer, Marko; Krautscheid, Harald","A novel Zn(4)O-based triazolyl benzoate MOF: synthesis, crystal structure, adsorption properties and solid state 13C NMR investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","817","824","10.1039/c1dt11431j","","","0.71073","MoKα","","0.0575","0.0457","","","0.1282","0.1352","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017771","19.2401","0.0008","19.2401","0.0008","17.8208","0.0009","90","","90","","120","","5713.1","0.4","180","2","180","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","[Zn4O{(Metrz-pba)2mPh}3]","","","- C78 H54 N18 O13 Zn4 -","- C78 H54 N18 O13 Zn4 -","- C156 H108 N36 O26 Zn8 -","2","0.333333","","Lincke, Jörg; Lässig, Daniel; Stein, Karolin; Moellmer, Jens; Kuttatheyil, Anusree Viswanath; Reichenbach, Christian; Moeller, Andreas; Staudt, Reiner; Kalies, Grit; Bertmer, Marko; Krautscheid, Harald","A novel Zn(4)O-based triazolyl benzoate MOF: synthesis, crystal structure, adsorption properties and solid state 13C NMR investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","817","824","10.1039/c1dt11431j","","","0.71073","MoKα","","0.0372","0.0345","","","0.0876","0.0889","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018899","15.4214","0.0003","15.4214","0.0003","25.0344","0.0005","90","","90","","120","","5156.03","0.18","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C104 H124 Cu4 Li2 O8 P6 -","- C104.04 H123.96 Cu4 Li2 O8 P6 -","- C208.08 H247.92 Cu8 Li4 O16 P12 -","2","0.333333","","Harford, Philip J.; Haywood, Joanna; Smith, Matthew R.; Bhawal, Benjamin N.; Raithby, Paul R.; Uchiyama, Masanobu; Wheatley, Andrew E. H.","Expanding the tools available for direct ortho cupration ‒ targeting lithium phosphidocuprates","Dalton Transactions","2012","41","20","6148","","10.1039/c2dt12415g","","","0.7107","MoKα","","0.0709","0.0674","","","0.1755","0.1772","","","","","","1.2","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7019601","19.957","0.003","19.957","0.003","14.7921","0.0018","90","","90","","120","","5102.1","1.2","298","2","298","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C78 H120 N23 O16 P S6 -","- C78 H120 N23 O16 P S6 -","- C156 H240 N46 O32 P2 S12 -","2","0.333333","","Dey, Sandeep Kumar; Das, Gopal","Selective inclusion of PO(4)(3-) within persistent dimeric capsules of a tris(thiourea) receptor and evidence of cation/solvent sealed unimolecular capsules.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8960","8972","10.1039/c2dt30687e","","","0.71073","MoKα","","0.0958","0.0796","","","0.2144","0.2391","","","","","","1.011","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7025037","10.828","0.002","10.828","0.002","18.738","0.008","90","","90","","120","","1902.6","1","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C15 H24 B N6 O -","- C15 H24 B N6 O -","- C60 H96 B4 N24 O4 -","4","0.666667","","Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui","Hydrogen-bonded boron imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1702","1704","10.1039/b924633a","","","0.71073","MoKα","","0.0824","0.0541","","","0.1312","0.1515","","","","","","1.023","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025514","12.5665","0.0006","12.5665","0.0006","9.5805","0.0009","90","","90","","120","","1310.23","0.15","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C15 H36 Ag Br N6 S3 -","- C15 H36 Ag Br N6 S3 -","- C30 H72 Ag2 Br2 N12 S6 -","2","0.333333","","Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.","Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4391","4404","10.1039/c001398f","","","0.71073","MoKα","","0.0533","0.0364","","","0.0814","0.0904","","","","","","1.042","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7028390","25.4018","0.0011","25.4018","0.0011","12.5772","0.0005","90","","90","","120","","7028.2","0.5","99.97","0.12","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","tris(pyridine-N-oxide) silver bistriflimide","tris(pyridine-N-oxide) silver bis(trifluoromethylsulfonyl)imide","","- C17 H15 Ag F6 N4 O7 S2 -","- C17.0005 H15 Ag F6.0015 N4 O7 S2 -","- C204.006 H180 Ag12 F72.018 N48 O84 S24 -","12","2","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.046","0.0324","","","0.0586","0.0659","","","","","","1.047","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7029088","23.9245","0.0006","23.9245","0.0006","13.3123","0.0004","90","","90","","120","","6598.9","0.3","120","","120","","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C36 H60 F12 N6 Na2 O6 P2 -","- C36 H60 F12 N6 Na2 O6 P2 -","- C216 H360 F72 N36 Na12 O36 P12 -","6","1","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.177","0.1126","","","0.2853","0.3214","","","","","","1.079","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7031165","11.2593","0.0002","11.2593","0.0002","13.575","0.0004","90","","90","","120","","1490.37","0.06","173","2","173","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C27 H36 Cl2 N6 O8 Zn -","- C27 H36 Cl2 N6 O8 Zn -","- C54 H72 Cl4 N12 O16 Zn2 -","2","0.333333","","Park, Gyungse; Przyborowska, Ann M.; Ye, Neng; Tsoupas, Nicole M.; Bauer, Cary B.; Broker, Grant A.; Rogers, Robin D.; Brechbiel, Martin W.; Planalp, Roy P.","Steric effects caused by N-alkylation of the tripodal chelator N,N′,N″-tris(2-pyridylmethyl)-cis,cis-1,3,5-triaminocyclohexane (tachpyr): structural and electronic properties of the Mn(ii), Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes","Dalton Transactions","2003","","3","318","","10.1039/b209228j","","","0.71073","MoKα","","0.0371","0.0275","","0.057","0.0542","","","","0.985","1.013","1.013","","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031218","12.4185","0.0011","12.4185","0.0011","32.218","0.003","90","","90","","120","","4303","0.7","223","2","223","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C26 H78 Ag8 I16 N18 O6 Pb6 -","- C26 H78 Ag8 I16 N18 O6 Pb6 -","- C52 H156 Ag16 I32 N36 O12 Pb12 -","2","0.333333","","Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong","Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9116","9125","10.1039/c4dt00358f","","","0.71075","MoKα","","0.0396","0.0358","","","0.0609","0.0621","","","","","","1.023","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7032016","9.2365","0.0005","9.2365","0.0005","6.3367","0.0007","90","","90","","120","","468.18","0.06","150","1","150","1","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C6 H15 S Sb -","- C6 H15 S Sb -","- C12 H30 S2 Sb2 -","2","0.333333","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan","The bonding situation in triethylchalcogenostiboranes - polarized single bonds vs. double bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14772","14777","10.1039/c4dt01940g","","","0.71073","MoKα","","0.0355","0.0325","","","0.0752","0.077","","","","","","1.155","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7033134","5.4515","0.0002","5.4515","0.0002","23.1283","0.0008","90","","90","","120","","595.26","0.04","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","sodium calcium barium phosphate","Trisodium Monocalcium Dibarium Triphosphorous Dodecaoxygen","","- Ba2 Ca Na3 O12 P3 -","- Ba2 Ca Na3 O12 P3 -","- Ba4 Ca2 Na6 O24 P6 -","2","0.333333","","Kim, Minsung; Kobayashi, Makoto; Kato, Hideki; Yamane, Hisanori; Sato, Yasushi; Kakihana, Masato","Crystal structures and luminescence properties of Eu²⁺-activated new NaBa0.5Ca0.5PO₄ and Na₃Ba₂Ca(PO₄)₃.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1900","1904","10.1039/c4dt03024a","","","0.71075","MoKα","","0.0388","0.0286","","","0.0659","0.0744","","","","","","1.204","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7037132","19.5288","0.0014","19.5288","0.0014","18.0311","0.0014","90","","90","","120","","5955.3","0.8","110","2","110","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C18 H18 Cu F6 N12 P3 -","- C18 H18 Cu F6 N12 P3 -","- C144 H144 Cu8 F48 N96 P24 -","8","1.33333","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.0377","0.0317","","","0.0799","0.083","","","","","","1.05","","","","has coordinates","176061","2020-10-21","18:00:00",""
"7037133","21.2337","0.0005","21.2337","0.0005","10.6155","0.0004","90","","90","","120","","4145","0.2","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C15 H21 Cl6 Cu F6 N6 P2 -","- C15 H21 Cl6 Cu F6 N6 P2 -","- C90 H126 Cl36 Cu6 F36 N36 P12 -","6","1","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.0627","0.0462","","","0.11","0.1176","","","","","","1.03","","","","has coordinates,has disorder","176061","2020-10-21","18:00:00",""
"7037135","21.2193","0.0006","21.2193","0.0006","10.6362","0.0005","90","","90","","120","","4147.4","0.3","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C15 H21 Cl6 Cu F6 N6 P2 -","- C15 H21 Cl6 Cu F6 N6 P2 -","- C90 H126 Cl36 Cu6 F36 N36 P12 -","6","1","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.039","0.0307","","","0.0646","0.0677","","","","","","0.994","","","","has coordinates,has disorder","176061","2020-10-21","18:00:00",""
"7037964","16.689","0.0011","16.689","0.0011","21.5798","0.0016","90","","90","","120","","5205.2","0.6","100","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C28 H39 Cl2 Ir N2 -","- C28 H39 Cl1.99993 Ir N2 -","- C168 H234 Cl11.9996 Ir6 N12 -","6","1","","Sasayama, A. F.; Moore, C. E.; Kubiak, C. P.","Electronic effects on the catalytic disproportionation of formic acid to methanol by [Cp*Ir(III)(R-bpy)Cl]Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2436","2439","10.1039/c5dt04606h","","x-ray","0.71073","MoKα","","0.034","0.0276","","","0.0579","0.06","","","","","","1.034","","","","has coordinates","177817","2020-10-21","18:00:00",""
"7039981","14.8747","0.0006","14.8747","0.0006","7.4995","0.0004","90","","90","","120","","1437.01","0.11","123","1","123","1","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H15 Bi Mo3 O9 -","- C24 H15 Bi Mo3 O9 -","- C48 H30 Bi2 Mo6 O18 -","2","0.333333","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","0.71073","MoKα","","0.1111","0.0686","","","0.1526","0.162","","","","","","0.92","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7040609","23.9817","0.0004","23.9817","0.0004","31.9326","0.0004","90","","90","","120","","15904.7","0.4","120","0.1","120","0.1","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C153.9 H271.8 Cr6 Dy14 N7.5 O147 S4.95 -","- C153.9 H204 Cr6 Dy14 N7.5 O147.01 S2.4 -","- C307.8 H408 Cr12 Dy28 N15 O294.02 S4.8 -","2","0.333333","","Schmitz, Sebastian; van Leusen, Jan; Izarova, Natalya V.; Lan, Yanhua; Wernsdorfer, Wolfgang; Kögerler, Paul; Monakhov, Kirill Yu","Supramolecular 3d-4f single-molecule magnet architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16148","16152","10.1039/c6dt03392j","","","0.71073","MoKα","","0.1314","0.0865","","","0.2054","0.2467","","","","","","1.091","","","","has coordinates","188147","2020-10-21","18:00:00",""
"7040610","24.0037","0.0006","24.0037","0.0006","32.042","0.0009","90","","90","","120","","15988.5","0.7","120","0.1","120","0.1","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C156 H302.5 Cr6 N7.5 O146 S4.5 Tb14 -","- C153.75 H195 Cr6 N7.5 O146 S2.91 Tb14 -","- C307.5 H390 Cr12 N15 O292 S5.82 Tb28 -","2","0.333333","","Schmitz, Sebastian; van Leusen, Jan; Izarova, Natalya V.; Lan, Yanhua; Wernsdorfer, Wolfgang; Kögerler, Paul; Monakhov, Kirill Yu","Supramolecular 3d-4f single-molecule magnet architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16148","16152","10.1039/c6dt03392j","","","0.71073","MoKα","","0.1237","0.0709","","","0.157","0.1872","","","","","","1.055","","","","has coordinates","188147","2020-10-21","18:00:00",""
"7040611","23.7804","0.0003","23.7804","0.0003","31.8903","0.0003","90","","90","","120","","15618.1","0.3","120","0.1","120","0.1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C147 H283.5 Cr6 N7.5 O145.5 Tb14 -","- C147 H226.5 Cr6 N7.5 O145.5 Tb14 -","- C294 H453 Cr12 N15 O291 Tb28 -","2","0.333333","","Schmitz, Sebastian; van Leusen, Jan; Izarova, Natalya V.; Lan, Yanhua; Wernsdorfer, Wolfgang; Kögerler, Paul; Monakhov, Kirill Yu","Supramolecular 3d-4f single-molecule magnet architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16148","16152","10.1039/c6dt03392j","","","0.71073","MoKα","","0.107","0.064","","","0.1507","0.1819","","","","","","1.071","","","","has coordinates","188147","2020-10-21","18:00:00",""
"7041638","14.5289","0.0004","14.5289","0.0004","5.78666","0.00015","90","","90","","120","","1057.85","0.05","100","0.1","100","0.1","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C20.5 H18 F I3 Si -","- C18 H12 F I3 Si -","- C36 H24 F2 I6 Si2 -","2","0.333333","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","1.54184","CuKα","","0.0296","0.0288","","","0.0781","0.0792","","","","","","1.059","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7045006","16.3386","0.0004","16.3386","0.0004","8.6228","0.0003","90","","90","","120","","1993.47","0.1","163","2","163","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C21 H57 Er0.05 Si6 Y0.95 -","- C21 H57 Er0.052 Si6 Y0.982 -","- C42 H114 Er0.104 Si12 Y1.964 -","2","0.333333","","Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K.; Kitagawa, Yasutaka; Yamashita, Masahiro","Low coordinated mononuclear erbium(iii) single-molecule magnets with C<sub>3v</sub> symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","302","305","10.1039/c7dt04053a","","","0.71073","MoKα","","0.04","0.0338","","","0.0763","0.0786","","","","","","1.054","","","","has coordinates,has disorder","229578","2020-10-21","18:00:00",""
"7045007","16.2788","0.0003","16.2788","0.0003","8.5882","0.0002","90","","90","","120","","1970.96","0.07","110","2","110","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H57 Er Si6 -","- C21 H57 Er Si6 -","- C42 H114 Er2 Si12 -","2","0.333333","","Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K.; Kitagawa, Yasutaka; Yamashita, Masahiro","Low coordinated mononuclear erbium(iii) single-molecule magnets with C<sub>3v</sub> symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","302","305","10.1039/c7dt04053a","","","0.71073","MoKα","","0.0247","0.0205","","","0.0434","0.0444","","","","","","1.043","","","","has coordinates","229578","2020-10-21","18:00:00",""
"7046778","15.881","0.002","15.881","0.002","10.323","0.002","90","","90","","120","","2254.7","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 N4 Nd O8 -","- C42 H60.9996 N4 Nd O8 -","- C84 H121.999 N8 Nd2 O16 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0314","0.0276","","","0.0685","0.0722","","","","","","1.055","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046779","15.815","0.002","15.815","0.002","10.364","0.002","90","","90","","120","","2244.9","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 Eu N4 O8 -","- C42 H60.9996 Eu N4 O8 -","- C84 H121.999 Eu2 N8 O16 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0309","0.0271","","","0.0666","0.0706","","","","","","1.068","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046780","15.723","0.002","15.723","0.002","10.448","0.002","90","","90","","120","","2236.8","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 N4 O8 Yb -","- C42 H60.9996 N4 O8 Yb -","- C84 H121.999 N8 O16 Yb2 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0422","0.0358","","","0.0781","0.0823","","","","","","1.066","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046781","15.718","0.002","15.718","0.002","10.432","0.002","90","","90","","120","","2232","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 Er N4 O8 -","- C42 H60.9996 Er N4 O8 -","- C84 H121.999 Er2 N8 O16 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0344","0.0303","","","0.0752","0.08","","","","","","1.074","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046782","15.719","0.002","15.719","0.002","10.477","0.002","90","","90","","120","","2241.9","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 Lu N4 O8 -","- C42 H60.9996 Lu N4 O8 -","- C84 H121.999 Lu2 N8 O16 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0232","0.0205","","","0.0509","0.0533","","","","","","1.118","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046783","15.772","0.002","15.772","0.002","10.385","0.002","90","","90","","120","","2237.2","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 N4 O8 Tb -","- C42 H60.9996 N4 O8 Tb -","- C84 H121.999 N8 O16 Tb2 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0355","0.0275","","","0.0581","0.0622","","","","","","1.119","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7055481","14.054","0.002","14.054","0.002","14.669","0.003","90","","90","","120","","2509.2","0.7","100","2","100","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Co2 K7 O112 U24 -","- Co2 K7 O112 U24 -","- Co2 K7 O112 U24 -","1","0.166667","","Zhang, Yingjie; Čejka, Jiří; Lumpkin, Gregory R.; Tran, Toan Trong; Aharonovich, Igor; Karatchevtseva, Inna; Price, Jason R.; Scales, Nicholas; Lu, Kim","Hydrothermal synthesis, structures and properties of two uranyl oxide hydroxyl hydrate phases with Co(ii) or Ni(ii) ions","New J. Chem.","2016","40","6","5357","","10.1039/C5NJ03055B","","","0.7294","Synchrotron","","0.0286","0.0284","","","0.0689","0.069","","","","","","1.13","","","","has coordinates","183726","2020-10-21","18:00:00",""
"7055482","14.042","0.002","14.042","0.002","14.643","0.003","90","","90","","120","","2500.5","0.7","100","2","100","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- K7 Ni2 O112 U24 -","- K7 Ni2 O112 U24 -","- K7 Ni2 O112 U24 -","1","0.166667","","Zhang, Yingjie; Čejka, Jiří; Lumpkin, Gregory R.; Tran, Toan Trong; Aharonovich, Igor; Karatchevtseva, Inna; Price, Jason R.; Scales, Nicholas; Lu, Kim","Hydrothermal synthesis, structures and properties of two uranyl oxide hydroxyl hydrate phases with Co(ii) or Ni(ii) ions","New J. Chem.","2016","40","6","5357","","10.1039/C5NJ03055B","","","0.7294","Synchrotron","","0.026","0.026","","","0.0637","0.0637","","","","","","1.109","","","","has coordinates","183726","2020-10-21","18:00:00",""
"7062078","10.852","0.004","10.852","0.004","41.832","0.014","90","","90","","120","","4266","3","296","2","296.15","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C39 H37 Br4 Cl3 Mn P2 -","- C39 H36.9994 Br4 Cl3 Mn P2 -","- C156 H147.998 Br16 Cl12 Mn4 P8 -","4","0.666667","","Wu, Yu-Li; Hou, Guo-Liang; Cui, Hai-Xia; Chen, Lei; Zhou, Hui-Di; Chen, Jian-Min","Development and mechanism of a fluorescent probe for a Mn(ii) ionic complex capable of recognizing chloroform vapor molecules","New Journal of Chemistry","2022","46","47","22509","22512","10.1039/D2NJ04869H","","","0.71073","MoKα","","0.0887","0.0444","","","0.0911","0.106","","","","","","1.016","","","","has coordinates","280200","2023-01-06","09:54:15",""
"7062980","19.7106","0.0008","19.7106","0.0008","26.2488","0.0015","90","","90","","120","","8831.6","0.7","100","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C168 H96 Cd6 O28 S -","- C168 H96 Cd6 O28 S -","- C336 H192 Cd12 O56 S2 -","2","0.333333","","Zhang, Jinfang; Zhao, Shunchang; Tao, Xingyu; Chen, Qinghan; Yin, Dejing; Zhang, Chi","An AIE-ligand-based coordination polymer with a new wheel-shaped Cd6 cluster, a unique bamboo-like architecture and highly efficient dual-response sensing properties","New Journal of Chemistry","2024","48","8","3656","3664","10.1039/D3NJ04960D","","","1.54178","CuKα","","0.0986","0.0551","","","0.1203","0.14","","","","","","0.942","","","","has coordinates","290232","2024-03-04","20:35:04",""
"7102365","15.488","0.0005","15.488","0.0005","19.997","0.0005","90","","90","","120","","4154.2","0.2","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C48 H33 Fe O12 -","- C48 H33 Fe2 O12 -","- C192 H132 Fe8 O48 -","4","0.666667","","Kaizer, József; Baráth, Gábor; Pap, József; Speier, Gábor; Giorgi, Michel; Réglier, Marius","Manganese and iron flavonolates as flavonol 2,4-dioxygenase mimics.","Chemical communications (Cambridge, England)","2007","","48","5235","5237","10.1039/b711864c","","","0.71073","MoKα","","0.0834","0.0725","","","0.1901","0.1992","","","","","","1.097","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7107363","21.3354","0.0003","21.3354","0.0003","11.5428","0.0003","90","","90","","120","","4550.34","0.15","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C39 H27 Dy4 N15 O21 -","- C39 H27 Dy4 N15 O21 -","- C78 H54 Dy8 N30 O42 -","2","0.333333","","Ian A. Gass; Boujemaa Moubaraki; Stuart K. Langley; Stuart R. Batten; Keith S. Murray","A p-p 3D network of tetranuclear μ2 /μ 3-carbonato Dy(III) bis-pyrazolylpyridine clusters showing single molecule magnetism features.","Chem.Commun.","2012","48","","2089","","10.1039/c2cc16946k","","","0.71073","MoKα","","0.0427","0.0348","","","0.0775","0.0808","","","","","","1.017","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107554","26.8708","0.0008","26.8708","0.0008","51.831","0.003","90","","90","","120","","32410","2","120","2","120","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C218 H276 Ag6 F18 N24 O18 P12 S2 -","- C216 H275.97 Ag6 F12 N24 O12 P12 S4 -","- C864 H1103.88 Ag24 F48 N96 O48 P48 S16 -","4","0.666667","","Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James","Selective formation of a polar incomplete coordination cage induced by remote ligand substituents","Chem.Commun.","2012","48","","4061","","10.1039/c2cc17832j","","","0.6926","synchrotron","","0.0706","0.0644","","","0.1821","0.1913","","","","","","1.045","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7109705","16.5286","0.0002","16.5286","0.0002","30.1709","0.0004","90","","90","","120","","7138.24","0.15","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C41.16 H29.16 Cl9.49 N6 O4 Pd2 -","- C41.1633 H29.1633 Cl9.49 N6 O4 Pd2 -","- C246.98 H174.98 Cl56.94 N36 O24 Pd12 -","6","1","","Qi-Qiang Wang; Victor W. Day; Kristin Bowman-James","Hexagonal molecular 'palladawheel'","Chem.Commun.","2013","49","","8042","","10.1039/c3cc44714f","","","1.54178","CuKα","","0.0996","0.0969","","","0.2453","0.2468","","","","","","1.144","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7112792","21.9892","0.0018","21.9892","0.0018","7.3478","0.0005","90","","90","","120","","3076.9","0.4","295","2","295","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C33 H30 Br3 N3 O4.5 -","- C33 H30 Br3 N3 O4.5 -","- C132 H120 Br12 N12 O18 -","4","0.666667","","Rajput, Lalit; Chernyshev, Vladimir V.; Biradha, Kumar","Assembling triple helical amide-to-amide hydrogen bonded columns of tris(4-halophenyl)benzene-1,3,5-tricarboxamides into porous materials via halogen...halogen interactions.","Chemical communications (Cambridge, England)","2010","46","35","6530","6532","10.1039/c0cc01551b","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0667","1.888","","","","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112793","21.625","0.0017","21.625","0.0017","7.3012","0.0006","90","","90","","120","","2956.9","0.4","295","2","295","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C33 H30 Cl3 N3 O4.5 -","- C33 H30 Cl3 N3 O4.5 -","- C132 H120 Cl12 N12 O18 -","4","0.666667","","Rajput, Lalit; Chernyshev, Vladimir V.; Biradha, Kumar","Assembling triple helical amide-to-amide hydrogen bonded columns of tris(4-halophenyl)benzene-1,3,5-tricarboxamides into porous materials via halogen...halogen interactions.","Chemical communications (Cambridge, England)","2010","46","35","6530","6532","10.1039/c0cc01551b","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0704","2.123","","","","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7113801","14.7505","0.0006","14.7505","0.0006","15.417","0.0004","90","","90","","120","","2904.99","0.18","150","","150","","","","","","","","?","5","P 3 1 c","P 3 -2c","159","(Sc(HC(Me2pz)3)(O-2,6-C6H3Me2)3) . 4 (C6H6)","[Sc{HC(Me2pz)3}(O-2,6-C6H3Me2)3] . 4 (C6H6)","","- C64 H73 N6 O3 Sc -","- C64 H73 N6 O3 Sc -","- C128 H146 N12 O6 Sc2 -","2","0.333333","","Lawrence, Sally C.; Ward, Benjamin D.; Dubberley, Stuart R.; Kozak, Christopher M.; Mountford, Philip","Highly efficient ethylene polymerisation by scandium alkyls supported by neutral fac-?3 coordinated N3 donor ligandsElectronic supplementary information (ESI) available: experimental details, characterising data, crystallographic data for 5 and GPC data. See http://www.rsc.org/suppdata/cc/b3/b310867h/","Chemical Communications","2003","","23","2880","","10.1039/b310867h","","","0.71073","MoKα","","","0.0507","","","","0.0557","","","","","","1.0265","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7114654","12.6729","0.0005","12.6729","0.0005","10.9338","0.0006","90","","90","","120","","1520.74","0.12","300","2","300","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate","","- C21 H24 B2 F8 Fe N12 O3 -","- C21 H18 B1.57 F6.28 Fe N12 -","- C42 H36 B3.14 F12.56 Fe2 N24 -","2","0.333333","","Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow","Complex thermal expansion properties in a molecular honeycomb lattice","Chem.Commun.","2014","50","","7601","","10.1039/C4CC02198C","","","0.71073","MoKα","","0.0411","0.0383","","","0.1046","0.1067","","","","","","1.05","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114655","12.6653","0.0009","12.6653","0.0009","11.0258","0.0012","90","","90","","120","","1531.7","0.2","110","2","110","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate","","- C21 H24 B2 F8 Fe N12 O3 -","- C21 H18 B1.78 F7.12 Fe N12 -","- C42 H36 B3.56 F14.24 Fe2 N24 -","2","0.333333","","Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow","Complex thermal expansion properties in a molecular honeycomb lattice","Chem.Commun.","2014","50","","7601","","10.1039/C4CC02198C","","","0.71073","MoKα","","0.0505","0.0499","","","0.1431","0.1444","","","","","","1.111","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114656","12.6778","0.0007","12.6778","0.0007","10.9308","0.0008","90","","90","","120","","1521.49","0.16","300","2","300","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate","","- C21 H24 B2 F8 Fe N12 O3 -","- C21 H18 B1.3 F5.2 Fe N12 -","- C42 H36 B2.6 F10.4 Fe2 N24 -","2","0.333333","","Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow","Complex thermal expansion properties in a molecular honeycomb lattice","Chem.Commun.","2014","50","","7601","","10.1039/C4CC02198C","","","0.71073","MoKα","","0.0447","0.0428","","","0.1191","0.1219","","","","","","1.158","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114657","12.66","0.002","12.66","0.002","10.9359","0.0015","90","","90","","120","","1517.9","0.4","300","2","300","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate","","- C21 H24 B2 F8 Fe N12 O3 -","- C21 H18 B1.3 F5.2 Fe N12 -","- C42 H36 B2.6 F10.4 Fe2 N24 -","2","0.333333","","Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow","Complex thermal expansion properties in a molecular honeycomb lattice","Chem.Commun.","2014","50","","7601","","10.1039/C4CC02198C","","","0.71073","MoKα","","0.0433","0.0419","","","0.1247","0.128","","","","","","1.111","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114783","14.692","0.0019","14.692","0.0019","21.452","0.004","90","","90","","120","","4010.1","1","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C28.67 H18 Cl0.67 F6 Ir0.67 N2 O2 -","- C28.6633 H18 Cl0.666667 F6 Ir0.666667 N2 O2 -","- C171.98 H108 Cl4 F36 Ir4 N12 O12 -","6","1","","Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying","New, efficient electroluminescent materials based on organometallic Ir complexes","Chemical Communications","2001","","16","1494","","10.1039/b103490c","","","0.71073","MoKα","","0.0665","0.0467","","","0.1099","0.1184","","","","","","1.244","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7115786","27.525","0.004","27.525","0.004","24.215","0.005","90","","90","","120","","15888","5","100","2","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","[Zn(Ni(pedt)2)2(O)2]","","","- C28 H20 N4 Ni2 O2 S8 Zn -","- C28 H20 N4 Ni2 O2 S8 Zn -","- C168 H120 N24 Ni12 O12 S48 Zn6 -","6","1","","Thomas B. Faust; Pavel M. Usov; Deanna M. D'Alessandro; Cameron J. Kepert","Highly unusual interpenetration isomers of electroactive nickel bis(dithiolene) coordination frameworks","Chem.Commun.","2014","50","","12772","","10.1039/C4cc05438E","","","0.71085","Synchrotron","","0.1734","0.1182","","","0.2825","0.2922","","","","","","2.695","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7119725","18.5004","0.0004","18.5004","0.0004","9.6325","0.0005","90","","90","","120","","2855.17","0.17","170","2","170","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C38 H47 N9 O3 -","- C38 H47 N9 O3 -","- C76 H94 N18 O6 -","2","0.333333","","Yan, Wenqing; Yu, Xiaopeng; Yan, Tao; Wu, Doufeng; Ning, Erlong; Qi, Yi; Han, Ying-Feng; Li, Qiaowei","A triptycene-based porous hydrogen-bonded organic framework for guest incorporation with tailored fitting.","Chemical communications (Cambridge, England)","2017","53","26","3677","3680","10.1039/c7cc00557a","","","1.54178","CuKα","","0.0645","0.063","","","0.1758","0.179","","","","","","1.069","","","","has coordinates","194965","2020-10-21","18:00:00",""
"7119845","18.1253","0.0007","18.1253","0.0007","29.8697","0.0014","90","","90","","120","","8498.3","0.6","100","2","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","[(L2)~12~Cu^I^~5~Cu^II^~11~(μ~4~-S)(μ~4~-O)~6~][ClO~4~]^.^4H~2~O","","","- C96 H120 Cl Cu16 N12 O14 S25 -","- C96 H120 Cl Cu16 N12 O14 S25 -","- C192 H240 Cl2 Cu32 N24 O28 S50 -","2","0.333333","","Maji, Ram Chandra; Das, Partha Pratim; Bhandari, Anirban; Mishra, Saikat; Maji, Milan; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Patra, Apurba K.","Mixed valence copper-sulfur clusters of highest nuclearity: a Cu8 wheel and a Cu16 nanoball.","Chemical communications (Cambridge, England)","2017","53","23","3334","3337","10.1039/c6cc08301c","","","1.0332","synchrotron","","0.1543","0.1258","","","0.3432","0.3727","","","","","","1.427","","","","has coordinates","194309","2020-10-21","18:00:00",""
"7122411","15.064","0.002","15.064","0.002","29.042","0.006","90","","90","","120","","5707.4","1.6","80","2","80","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C54.5 H50 Cl1.5 Cu3 N12.5 O10 -","- C54.4999 H48 Cl1.5 Cu3 N12.5001 O10.0005 -","- C218 H192 Cl6 Cu12 N50.0004 O40.002 -","4","0.666667","","Kintzel, Benjamin; Böhme, Michael; Liu, Junjie; Burkhardt, Anja; Mrozek, Jakub; Buchholz, Axel; Ardavan, Arzhang; Plass, Winfried","Molecular electronic spin qubits from a spin-frustrated trinuclear copper complex.","Chemical communications (Cambridge, England)","2018","54","92","12934","12937","10.1039/c8cc06741d","","","0.6199","synchrotron","","0.0392","0.0383","","","0.1141","0.1152","","","","","","1.07","","","","has coordinates,has disorder","228462","2020-10-21","18:00:00",""
"7128214","12.435","0.003","12.435","0.003","15.058","0.004","90","","90","","120","","2016.5","0.9","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C32.5 H66 Cl7 Cr3 O6 -","- C24.9999 H48 Cl6.9999 Cr3 O6 -","- C49.9998 H96 Cl13.9998 Cr6 O12 -","2","0.333333","","Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko","A trinuclear chromium(iii) chlorocarbyne.","Chemical communications (Cambridge, England)","2021","57","42","5199","5202","10.1039/d1cc01514a","","","0.71075","MoKα","","0.0703","0.0623","","","0.1868","0.1955","","","","","","1.12","","","","has coordinates,has disorder","265871","2021-06-05","17:26:31",""
"7132856","18.9481","0.0005","18.9481","0.0005","29.4882","0.0012","90","","90","","120","","9168.8","0.5","193","2","193","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C27 H50 Mn3 N6 O53 P W9 -","- C21 H9 Mn3 N3 O54.175 P W9 -","- C84 H36 Mn12 N12 O216.7 P4 W36 -","4","0.666667","","Liu, Fangcheng; Han, Shicheng; Dong, Liwei; Fang, Xikui","Functionalized polyoxometalates enable fast ion transport in solid-state batteries at room temperature.","Chemical communications (Cambridge, England)","2024","60","31","4198","4201","10.1039/d4cc00896k","","","1.34139","GaKα","","0.0427","0.0381","","","0.1083","0.1111","","","","","","1.073","","","","has coordinates,has disorder","291539","2024-05-05","01:07:32",""
"7158130","17.8125","0.0012","17.8125","0.0012","8.4655","0.0011","90","","90","","120","","2326.1","0.4","296","2","296","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C17 H17 Cl2 N O -","- C17 H17 Cl2 N O -","- C102 H102 Cl12 N6 O6 -","6","1","","Wang, Fang; Liu, Xiaoli; Wang, Lei","Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.","Organic & biomolecular chemistry","2021","19","27","6141","6146","10.1039/d1ob00868d","","","0.71073","MoKα","","0.0413","0.0331","","","0.0816","0.0871","","","","","","0.929","","","","has coordinates","268920","2021-09-06","12:25:13",""
"7203337","15.7648","0.0002","15.7648","0.0002","21.1873","0.0005","90","","90","","120","","4560.19","0.14","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C66 H132 Fe7 N3 O33 -","- C66 H123 Fe7 N3 O33 -","- C132 H246 Fe14 N6 O66 -","2","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.093","0.0568","","","0.1179","0.1319","","","","","","1.026","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203338","15.5829","0.0008","15.5829","0.0008","20.893","0.001","90","","90","","120","","4393.7","0.4","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C63 H126 Fe7 N3 O33 -","- C63 H120 Fe7 N3 O33 -","- C126 H240 Fe14 N6 O66 -","2","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.1324","0.0979","","","0.1623","0.1751","","","","","","1.124","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7204876","19.3682","0.0007","19.3682","0.0007","18.9884","0.001","90","","90","","120","","6168.8","0.5","153","2","153","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","[Tris(5,5'-diamino-2,2'-bipyridine)iron(II)] bis(4-nitrophenolate) dihydrate","","- C42 H42 Fe N14 O8 -","- C42 H42 Fe N14 O8 -","- C252 H252 Fe6 N84 O48 -","6","1","","Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph","Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit","CrystEngComm","2004","6","26","126","","10.1039/b404151h","","","0.71073","MoKα","","0.0427","0.0383","","","0.0806","0.0826","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7205916","9.84196","0.00004","9.84196","0.00004","10.68317","0.00006","90","","90","","120","","896.177","0.007","298","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Al2 N18.939 O2.061 Si9 Y6.313 -","- Al1.99899 N18.9397 O2.0601 Si9 Y6.31347 -","- Al3.99798 N37.8794 O4.1202 Si18 Y12.6269 -","2","0.333333","","Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun","Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry","Journal of Materials Chemistry","2011","21","15","5780","","10.1039/c0jm03538f","powder diffraction","","1.5493","Synchrotron","","","","","","","","","3.1907","","","","","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7207957","19.5224","0.0003","19.5224","0.0003","8.4283","0.0002","90","","90","","120","","2781.87","0.09","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 N5.83 O5.17 Tb0.5 -","- C16 H15 N5.83333 O5.16667 Tb0.5 -","- C96 H90 N35 O31 Tb3 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0491","0.0425","","","0.114","0.118","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207960","19.5543","0.0004","19.5543","0.0004","8.4847","0.0003","90","","90","","120","","2809.65","0.13","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 Eu0.5 N5.83 O5.17 -","- C16 H15 Eu0.5 N5.83333 O5.16667 -","- C96 H90 Eu3 N35 O31 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.1286","0.1237","","","0.2792","0.2821","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213110","15.7087","0.0004","15.7087","0.0004","7.4783","0.0002","90","","90","","120","","1598.14","0.07","161","2","161","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","crystal violet chloride","","","- C25 H48 Cl N3 O9 -","- C25 H48 Cl N3 O9 -","- C50 H96 Cl2 N6 O18 -","2","0.333333","","Lovell, Scott; Marquardt, Brian J.; Kahr, Bart","Crystal violet’s shoulder","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2241","","10.1039/a904367e","","","0.7107","MoKα","","0.0986","0.0792","","","0.2011","0.2278","","","","","","1.067","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7215283","11.7896","0.0002","11.7896","0.0002","8.1509","0.0001","90","","90","","120","","981.15","0.03","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","JA100","","","- C2 H5 Cu I N S -","- C2 H5 Cu I N S -","- C12 H30 Cu6 I6 N6 S6 -","6","1","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0605","0.0311","","","0.0862","0.1109","","","","","","1.005","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7221741","16.2712","0.0004","16.2712","0.0004","17.2772","0.0008","90","","90","","120","","3961.3","0.2","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C51 H43 Co7 O43.5 -","- C51 H15 Co7 O43.5 -","- C102 H30 Co14 O87 -","2","0.333333","","Zhao, Jun; Liu, Bo; Wu, Ya-Pan; Bai, Liang; Zhang, Jian; Li, Dong-Sheng","[Co(H2O)6]2+and H3O+encapsulated in a unique 3D anionic Co(ii) framework with hydrophilic hexagonal and circular channels","CrystEngComm","2015","17","37","7034","","10.1039/C5CE01028D","","","0.71073","MoKα","","0.0538","0.0534","","","0.1566","0.1572","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221890","12.5995","0.0009","12.5995","0.0009","7.5587","0.0005","90","","90","","120","","1039.16","0.13","296","2","296","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","PhosCy3","tris(4-cyanatophenyl) phosphate","","- C21 H12 N3 O7 P -","- C21 H12 N3 O7 P -","- C42 H24 N6 O14 P2 -","2","0.333333","","Harvey, Benjamin Grant; Chafin, Andrew; Garrison, Michael; Cambrea, Lee; Groshens, Thomas J.","Synthesis, Characterization, and Cure Chemistry of High Performance Phosphate Cyanate Ester Resins","RSC Adv.","2015","","","","","10.1039/C5RA16197E","","","0.71073","Mokα","","0.027","0.0255","","","0.058","0.0591","","","","","","1.01","","","","has coordinates","153669","2020-10-21","18:00:00",""
"7222169","14.7234","0.0002","14.7234","0.0002","12.4759","0.0003","90","","90","","120","","2342.17","0.07","150","1","150","1","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C33 H72 Br7 N3 Zn2 -","- C33 H72 Br6.9999 N3 Zn2 -","- C66 H144 Br13.9998 N6 Zn4 -","2","0.333333","","Easton, Max Eric; Turner, Peter; Masters, Anthony Frederick; Maschmeyer, Thomas","Zinc bromide in aqueous solutions of ionic liquid bromide salts: the interplay between complexation and electrochemistry","RSC Adv.","2015","","","","","10.1039/C5RA15736F","","","1.5418","CuKα","","0.0641","0.0536","","","0.1512","0.1646","","","","","","1.234","","","","has coordinates,has disorder","156723","2020-10-21","18:00:00",""
"7222994","7.5247","","7.5247","","9.9657","","90","","90","","120","","488.671","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Li Ca (P O4)","","- Ca Li O4 P -","- Ca Li O4 P -","- Ca6 Li6 O24 P6 -","6","1","","Lightfoot, P.; Pienkowski, M.C.; Bruce, P.G.; Abrahams, I.","Synthesis and structure of LiCaPO4 by combined x-ray and neutron powder diffraction","Journal of Materials Chemistry","1991","1","","1061","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7235016","10.1984","0.0003","10.1984","0.0003","8.7126","0.0004","90","","90","","120","","784.77","0.05","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- B10 Ba3 H5 Li O21 -","- B10 Ba3 H4.98 Li O20.99 -","- B20 Ba6 H9.96 Li2 O41.98 -","2","0.333333","","Chao Wu; Junling Song; Longhua Li; Mark G. Humphrey; Chi Zhang","Alkali metal-alkaline earth metal borate crystal LiBa3(OH)(B9O16)[B(OH)4] as a new deep-UV nonlinear optical material","Journal of Materials Chemistry C","2016","4","","8189","8196","10.1039/C6TC02306A","","","0.71073","MoKα","","0.0214","0.021","","","0.0455","0.0456","","","","","","1.13","","","","has coordinates","227654","2020-10-21","18:00:00",""
"7245749","16.5095","0.0007","16.5095","0.0007","24.5306","0.0018","90","","90","","120","","5790.4","0.5","173","","173","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C60 H28 O33 Zn6 -","- C60 H27.9997 O32.9999 Zn6 -","- C120 H55.9994 O65.9998 Zn12 -","2","0.333333","","Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng","A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01399A","","","0.71073","MoKα","","0.1441","0.0983","","","0.2551","0.2831","","","","","","0.901","","","","has coordinates,has disorder","278905","2022-11-01","23:32:55",""
"7246996","8.07743","0.0001","8.07743","0.0001","23.4262","0.0003","90","","90","","120","","1323.67","0.03","293","2","293","2","","","","","","","no","4","P 3 1 c","P 3 -2c","159","iodate","Cesium Tantale Iodate","","- Cs3 I8 O24 Ta -","- Cs3 I8 O24 Ta -","- Cs6 I16 O48 Ta2 -","2","0.333333","","Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.","New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction","CrystEngComm","2023","25","30","4364","4369","10.1039/D3CE00461A","","","0.71073","MoKα","","0.0384","0.0361","","","0.0873","0.089","","","","","","1.133","","","","has coordinates","286115","2023-09-05","19:42:24",""
"7248201","16.18","0.0008","16.18","0.0008","8.5692","0.0004","90","","90","","120","","1942.8","0.16","100","","100","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C24.5 H67 Si7 Yb -","- C24.5007 H67.002 Si7.0002 Yb -","- C49.0014 H134.004 Si14.0004 Yb2 -","2","0.333333","","Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A.","Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations.","Physical chemistry chemical physics : PCCP","2024","26","11","8734","8747","10.1039/d4cp00281d","","x-ray","0.71073","MoKα","K-L~3~","0.0197","0.0175","","","0.0351","0.0359","","","","","","1.037","","","","has coordinates,has disorder","291066","2024-04-05","00:17:17",""
"7704445","40.29774","0.00008","40.29774","0.00008","17.08786","0.00004","90","","90","","120","","24031.4","0.09","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C51 H78.5 F10 N5 O3.75 -","- C51 H77 F10 N5 O3 -","- C918 H1386 F180 N90 O54 -","18","3","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","1.54178","CuKα","","0.0288","0.0285","","","0.0798","0.0801","","","","","","1.025","","","","has coordinates,has disorder","254982","2020-10-21","18:00:00",""
"7713939","15.6433","0.0001","15.6433","0.0001","16.0019","0.0001","90","","90","","120","","3391.24","0.04","297.1","0.3","297.1","0.3","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C63 H69 B Cu F4 P3 S3 Si3 -","- C63 H69 B Cu F4 P3 S3 Si3 -","- C126 H138 B2 Cu2 F8 P6 S6 Si6 -","2","0.333333","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.076","0.0757","","","0.2092","0.2097","","","","","","1.078","","","","has coordinates,has disorder","286311","2023-09-12","22:59:50",""
"8101046","9.908","0.001","9.908","0.001","23.42","0.001","90","","90","","120","","1991","0.1","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","tetramethylammonium bismuth iodide","","","- C12 H36 Bi2 I9 N3 -","- C12 H36 Bi2 I9 N3 -","- C24 H72 Bi4 I18 N6 -","2","0.333333","","Feldmann, Claus","Crystal structure of tris(tetramethylammonium) dibismuth nonaiodide, [N(CH~3~)~4~]~3~Bi~2~I~9~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","465","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","198678","2020-10-21","18:00:00",""
"8101307","18.473","0.002","18.473","0.002","10.427","0.001","90","","90","","120","","3081.5","0.6","293","2","293","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","Tribarium tetranitridotungstate(VI)","","","- Ba3 N4 W -","- Ba3 N4 W -","- Ba54 N72 W18 -","18","3","","Höhn, Peter; Kniep, Rüdiger","Crystal structure of the high temperature phase of tribarium [tetranitridotungstate(VI)], HT-Ba~3~[WN~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","329","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101309","18.441","0.005","18.441","0.005","10.401","0.003","90","","90","","120","","3063.2","1.5","293","2","293","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","Tribarium tetranitridomolybdate(VI)","","","- Ba3 Mo N4 -","- Ba3 Mo N4 -","- Ba54 Mo18 N72 -","18","3","","Höhn, Peter; Kniep, Rüdiger","Crystal structure of the high temperature phase of tribarium [tetranitridomolybdate(VI)], HT-Ba~3~[MoN~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","327","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103065","10.8161","0.0005","10.8161","0.0005","6.6469","0.0003","90","","90","","120","","673.43","0.05","298","","298","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Ca7 F3 K O12 Si3 -","- Ca7 F3 K O12 Si3 -","- Ca14 F6 K2 O24 Si6 -","2","0.333333","","Krüger, Hannes","Ca5.45Li3.55[SiO4]3O0.45F1.55 and Ca7K[SiO4]3F3: single-crystal synthesis and structures of two trigonal oxyfluorides","Zeitschrift für Kristallographie - Crystalline Materials","2010","225","10","418","424","10.1524/zkri.2010.1268","","","0.71073","MoKα","","0.0184","0.0183","","","0.0235","0.0235","","","","2.11","2.11","2.11","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103958","8.555","","8.555","","20.19","","90","","90","","120","","1279.7","","","","","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Pb3 Al (Ca Al Si10 O27 (H2 O)3) (H2 O)","","- Al2 Ca H8 O31 Pb3 Si10 -","- Al2 Ca O30.999 Pb3 Si10 -","- Al4 Ca2 O61.998 Pb6 Si20 -","2","0.333333","","Hesse, K.F.; Liebau, F.; Eulert, H.H.","Wickenburgite, a double-layer silicate Pb3 Al[6](Ca[6] Al[4] Si10[4] O27 (H2 O)3) * (H2 O): crystal chemistry and thermal behaviour","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","542","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104096","5.8908","","5.8908","","31.048","","90","","90","","120","","933.067","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Hg7 (Hg O2) (Se O3)2 (Se O4)2 (H2 O)","","- H2 Hg8 O17 Se4 -","- Hg8.001 O17 Se4 -","- Hg16.002 O34 Se8 -","2","0.333333","","Weil, M.","The crystal structures of Hg7 Se3 O13 H2 and Hg8 Se4 O17 H2 - two mixed-valent mercury oxoselenium coumpound with a multifarious crystal chemistry","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","621","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","164106","2020-10-21","18:00:00",""
"8104596","8.399","0.0014","8.399","0.0014","9.6208","0.0017","90","","90","","120","","587.76","0.17","300.15","","300.15","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","all-<i>cis</i> -2,4,6-trihydroxycyclohexane-1,3,5-triaminium chloride sulfate","","- C6 H18 Cl N3 O7 S -","- C6 H18 Cl N3 O7 S -","- C12 H36 Cl2 N6 O14 S2 -","2","0.333333","","Velcheva, Vyara; Hegetschweiler, Kaspar; Gencheva, Galina","Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1319","1321","10.1515/ncrs-2021-0324","","","0.71073","MoKα","","0.0595","0.0497","","","0.1336","0.1404","","","","","","1.127","","","","has coordinates","273100","2022-02-22","10:13:48",""
"9001547","8.254","","8.254","","14.354","","90","","90","","120","","846.901","","","","","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","Spangolite","- Al Cl Cu6 H15 O19 S -","- Al Cl Cu6 H12 O19 S -","- Al2 Cl2 Cu12 H24 O38 S2 -","2","0.333333","","Hawthorne, F. C.; Kimata, M.; Eby, R. K.","The crystal structure of spangolite, a complex copper sulfate sheet mineral","American Mineralogist","1993","78","","649","652","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001818","5.157","","5.157","","8.706","","90","","90","","120","","200.513","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K O4 Si -","- Al K O4 Si -","- Al2 K2 O8 Si2 -","2","0.333333","","Cellai, D.; Bonazzi, P.; Carpenter, M. A.","Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning","American Mineralogist","1997","82","","276","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002510","15.067","","15.067","","15.293","","90","","90","","120","","3006.61","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","Dukeite","- Bi12 Cr4 H6 O33 -","- Bi12 Cr4 H6 O33 -","- Bi48 Cr16 H24 O132 -","4","0.666667","","Burns, P. C.; Roberts, A. C.; Stirling, J. A. R.; Criddle, A. J.; Feinglos, M. N.","Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais, Brazil: Description and crystal structure","American Mineralogist","2000","85","","1822","1827","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003567","14.519","","14.519","","21.062","","90","","90","","120","","3845.06","","","","","","","","","","","","Kola peninsula, Russia","6","P 3 1 c","P 3 -2c","159","","","Shafranovskite","- H35.72 K5.7 Mn10.86 Na9 O87.72 Si26.72 -","- H35.72 K5.7 Mn10.86 Na9 O87.72 Si26.72 -","- H71.44 K11.4 Mn21.72 Na18 O175.44 Si53.44 -","2","0.333333","","Krivovichev, S. V.; Yakovenchuk, V. N.; Armbruster, T.; Pakhomovsky, Y. A.; Weber, H.-P.; Depmeier, W.","Synchrotron X-ray diffraction study of the structure of shafranovskite, K2Na3(Mn,Fe,Na)4[Si9(O,OH)27].nH2O, a rare manganese silicate from Kola peninsula, Russia","American Mineralogist","2004","89","","1816","1821","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004308","8.56","","8.56","","20.19","","90","","90","","120","","1281.19","","","","","","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","Wickenburgite","- Al1.97 Ca Fe0.03 H3 O27 Pb3 Si10 -","- Al1.97 Ca Fe0.03 H3 O27 Pb3 Si10 -","- Al3.94 Ca2 Fe0.06 H6 O54 Pb6 Si20 -","2","0.333333","","Lam, A. E.; Groat, L. A.","The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement","The Canadian Mineralogist","1994","32","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004309","8.546","","8.546","","20.168","","90","","90","","120","","1275.61","","","","","","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","Wickenburgite","- Al1.81 Ca Fe0.19 H3 O27 Pb3 Si10 -","- Al1.81 Ca Fe0.19 H3 O27 Pb3 Si10 -","- Al3.62 Ca2 Fe0.38 H6 O54 Pb6 Si20 -","2","0.333333","","Lam, A. E.; Groat, L. A.","The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement","The Canadian Mineralogist","1994","32","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004841","11.188","","11.188","","21.91","","90","","90","","120","","2375.08","","","","","","","","","","","","Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa","5","P 3 1 c","P 3 -2c","159","","","Sturmanite","- B1.09 Ca6 Fe0.59 O49.92 S2.24 -","- B1.09 Ca6 Fe0.59 O49.92 S2.24 -","- B2.18 Ca12 Fe1.18 O99.84 S4.48 -","2","0.333333","","Pushcharovsky, D. Y.; Lebedeva, Y. S.; Zubkova, N. V.; Pasero, M.; Bellezza, M.; Merlino, S.; Chukanov, N. V.","The crystal structure of sturmanite Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa","The Canadian Mineralogist","2004","42","","723","729","10.2113/gscanmin.42.3.723","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005290","12.8013","","12.8013","","21.4119","","90","","90","","120","","3038.74","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","","Afghanite","- Al12 Ca5 Cl2.9 F0.1 K2.36 Na8.64 O60 S3 Si12 -","- Al12 Ca4.9999 Cl2.9 F0.1002 K2.3598 Na8.64 O48 Os11.9999 S3 Si12 -","- Al24 Ca9.9998 Cl5.8 F0.2004 K4.7196 Na17.28 O96 Os23.9999 S6 Si24 -","2","0.333333","","Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.","Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si,Al ordering","European Journal of Mineralogy","1997","9","","21","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005631","12.88","","12.88","","31.761","","90","","90","","120","","4563.06","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","","Marinellite","- Al18 Ca2.91 Cl0.99 H14 K5.37 Na15.5 O90.98 S4 Si18 -","- Al18 Ca2.91 Cl0.99 H5.96 K5.37 Na15.5 O90.98 S4 Si18 -","- Al36 Ca5.82 Cl1.98 H11.92 K10.74 Na31 O181.96 S8 Si36 -","2","0.333333","","Bonaccorsi, E.; Orlandi, P.","Marinellite, a new feldspathoid of the cancrinite-sodalite group","European Journal of Mineralogy","2003","15","","1019","1027","10.1127/0935-1221/2003/0015-1019","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9011103","11.26","","11.26","","21.48","","90","","90","","120","","2358.53","","","","","","","","","","","","Scawt Hill, Northern Ireland","5","P 3 1 c","P 3 -2c","159","","","Ettringite","- Al2 Ca6 H66 O49.68 S3 -","- Al2 Ca6 H63.36 O49.68 S3 -","- Al4 Ca12 H126.72 O99.36 S6 -","2","0.333333","","Moore, A. E.; Taylor, H. F. W.","Crystal structure of ettringite","Acta Crystallographica, Section B","1970","26","","386","393","10.1107/S0567740870002443","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9011932","12.859","","12.859","","10.697","","90","","90","","120","","1531.82","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","","Bystrite","- Al5.88 Ca0.94 Cl0.48 H2 K1.6 Na4.8 O24.48 S3.54 Si6.12 -","- Al5.88 Ca0.94 Cl0.48 H0.96 K1.6 Na4.8 O24.48 S3.54 Si6.12 -","- Al11.76 Ca1.88 Cl0.96 H1.92 K3.2 Na9.6 O48.96 S7.08 Si12.24 -","2","0.333333","","Pobedimskaya, E. A.; Terent'eva, L. E.; Sapozhnikov, A. N.; Kashaev, A. A.; Dorokhova, G. I.","Crystal structure of bystrite","Doklady Akademii Nauk SSSR","1991","319","","873","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:30",""
"9012057","7.766","","7.766","","5.615","","90","","90","","120","","293.275","","","","","","","","","","","","Synthetic","2","P 3 1 c","P 3 -2c","159","","","Nierite","- N3.99 Si2.925 -","- N3.99 Si2.925 -","- N15.96 Si11.7 -","4","0.666667","","Kohatsu, I.; McCauley, J. W.","Re-examination of the crystal structure of alpha-Si3N4","Materials Research Bulletin","1974","9","","917","920","10.1016/0025-5408(74)90170-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012685","12.856","","12.856","","42.256","","90","","90","","120","","6048.26","","","","","","","","","","","","Sacrofano, Biachella Valley, Latium, Italy","9","P 3 1 c","P 3 -2c","159","","","Giuseppettite","- Al24 Ca2.665 Cl H10 K8.076 Na21.256 O118.45 S5 Si24 -","- Al24 Ca2.665 Cl1.00001 H4.9 K8.076 Na21.256 O118.45 S5 Si24 -","- Al48 Ca5.33 Cl2.00002 H9.8 K16.152 Na42.512 O236.9 S10 Si48 -","2","0.333333","","Bonaccorsi, E.","The crystal structure of giuseppettite, the 16-layer member of the cancrinite- sodalite group Locality: Sacrofano, Biachella Valley, Latium, Italy","Microporous and Mesoporous Materials","2004","73","","129","136","10.1016/j.micromeso.2004.05.007","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9012757","5.6153","","5.6153","","8.8249","","90","","90","","120","","240.983","","","","","","","","","","","","Theoretical structure","3","P 3 1 c","P 3 -2c","159","","","Akdalaite","- Al5 H O8 -","- Al5 H O8 -","- Al10 H2 O16 -","2","0.333333","","Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R.","Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,","Journal of Physics: Conference Series","2008","117","","012013","012013","10.1088/1742-6596/117/1/012013","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012922","11.166881","","11.166881","","21.35366","","90","","90","","120","","2306.04","","","","","","","","","","","","Synthetic","5","P 3 1 c","P 3 -2c","159","","","Ettringite","- Al2 Ca6 H60.602 O49.496 S3 -","- Al2 Ca6 H60.6024 O49.4958 S3 -","- Al4 Ca12 H121.205 O98.9916 S6 -","2","0.333333","","Hartman, M. R.; Berliner, R.","Investigation of the structure of ettringite by time-of-flight neutron powder diffraction techniques Locality: synthetic","Cement and Concrete Research","2006","36","","364","370","10.1016/j.cemconres.2005.08.004","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013139","7.765","","7.765","","5.6275","","90","","90","","120","","293.852","","","","","","","","","","","","Synthetic","2","P 3 1 c","P 3 -2c","159","","","Nierite","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I.","Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Locality: synthetic Sample: Alpha phase Note: changed N4 location to match reported bond distances","Ceramics International","1995","21","","137","142","10.1016/0272-8842(95)95885-L","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013996","12.892","","12.892","","21.34","","90","","90","","120","","3071.61","","","","","","","","","","","","Sabatino volcanic complex, Latium, Italy","10","P 3 1 c","P 3 -2c","159","","","Alloriite","- C0.31 H18 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12 -","- C0.31 H6.26 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12 -","- C0.62 H12.52 Al24 Ca4.46 Cl0.34 K4.32 Na23.22 O123.58 S5.4 Si24 -","2","0.333333","","Rastsvetaeva, R. K.; Ivanova, A. G.; Chukanov, N. V.; Verin, I. A.","Crystal structure of alloriite","Doklady Earth Sciences","2007","415","","815","819","10.1134/S1028334X07050340","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014830","5.1665","","5.1665","","8.7248","","90","","90","","120","","201.687","","","","","","","","","","","","a granulite facies gneiss from the Punalur district in Kerala, India","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K0.985 O4 Si -","- Al2 K1.97 O8 Si2 -","- Al2 K1.97 O8 Si2 -","","","","Gatta, G. D.; Angel, R. J.; Carpenter, M. A.","Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 298 K","American Mineralogist","2010","95","","1027","1034","10.2138/am.2010.3478","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014956","11.3177","","11.3177","","9.6293","","90","","90","","120","","1068.17","","","","","","","","","","","","San Benito, California, USA","4","P 3 1 c","P 3 -2c","159","","","Benitoite","- Ba O9 Si3 Ti -","- Ba6 O54 Si18 Ti6 -","- Ba6 O54 Si18 Ti6 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 5.29 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014995","5.156","","5.156","","8.745","","90","","90","","120","","201.334","","","","","","","","","","","","a granulite facies gneiss from the Punalur district in Kerala, India","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K0.983 O4 Si -","- Al2 K1.966 O8 Si2 -","- Al2 K1.966 O8 Si2 -","","","","Gatta, G. D.; Angel, R. J.; Carpenter, M. A.","Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 150 K","American Mineralogist","2010","95","","1027","1034","10.2138/am.2010.3478","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015084","11.229","","11.229","","21.478","","90","","90","","120","","2345.34","","","","","","","","","","","","Synthetic","5","P 3 1 c","P 3 -2c","159","","","Ettringite","- Al2 Ca6 H64 O50 S3 -","- Al2 Ca6 H64 O50 S3 -","- Al4 Ca12 H128 O100 S6 -","2","0.333333","","Goetz-Neunhoeffer F; Neubauer, J.","Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis","Powder Diffraction","2006","21","","4","11","10.1154/1.2146207","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9015139","5.1627","","5.1627","","8.7392","","90","","90","","120","","201.723","","","","","","","","","","","","a granulite facies gneiss from the Punalur district in Kerala, India","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K0.985 O4 Si -","- Al2 K1.97 O8 Si2 -","- Al2 K1.97 O8 Si2 -","","","","Gatta, G. D.; Angel, R. J.; Carpenter, M. A.","Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 225 K","American Mineralogist","2010","95","","1027","1034","10.2138/am.2010.3478","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015502","11.2984","","11.2984","","9.6051","","90","","90","","120","","1061.86","","","","","","","","","","","","San Benito, California, USA","4","P 3 1 c","P 3 -2c","159","","","Benitoite","- Ba O9 Si3 Ti -","- Ba6 O54 Si18 Ti6 -","- Ba6 O54 Si18 Ti6 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 6.14 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015536","5.1531","","5.1531","","8.7523","","90","","90","","120","","201.275","","","","","","","","","","","","a granulite facies gneiss from the Punalur district in Kerala, India","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K0.984 O4 Si -","- Al2 K1.968 O8 Si2 -","- Al2 K1.968 O8 Si2 -","","","","Gatta, G. D.; Angel, R. J.; Carpenter, M. A.","Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 100 K","American Mineralogist","2010","95","","1027","1034","10.2138/am.2010.3478","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016271","5.1588","","5.1588","","8.7383","","90","","90","","120","","201.398","","","","","","","","","","","","a granulite facies gneiss from the Punalur district in Kerala, India","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K0.987 O4 Si -","- Al2 K1.974 O8 Si2 -","- Al2 K1.974 O8 Si2 -","","","","Gatta, G. D.; Angel, R. J.; Carpenter, M. A.","Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 200 K","American Mineralogist","2010","95","","1027","1034","10.2138/am.2010.3478","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016430","5.1627","","5.1627","","8.7352","","90","","90","","120","","201.631","","","","","","","","","","","","a granulite facies gneiss from the Punalur district in Kerala, India","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K0.982 O4 Si -","- Al2 K1.964 O8 Si2 -","- Al2 K1.964 O8 Si2 -","","","","Gatta, G. D.; Angel, R. J.; Carpenter, M. A.","Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 250 K","American Mineralogist","2010","95","","1027","1034","10.2138/am.2010.3478","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016450","11.3382","","11.3382","","9.6584","","90","","90","","120","","1075.29","","","","","","","","","","","","San Benito, California, USA","4","P 3 1 c","P 3 -2c","159","","","Benitoite","- Ba O9 Si3 Ti -","- Ba6 O54 Si18 Ti6 -","- Ba6 O54 Si18 Ti6 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.75 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016484","5.1589","","5.1589","","8.7438","","90","","90","","120","","201.532","","","","","","","","","","","","a granulite facies gneiss from the Punalur district in Kerala, India","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K0.98 O4 Si -","- Al2 K1.96 O8 Si2 -","- Al2 K1.96 O8 Si2 -","","","","Gatta, G. D.; Angel, R. J.; Carpenter, M. A.","Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 175 K","American Mineralogist","2010","95","","1027","1034","10.2138/am.2010.3478","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016533","12.7961","","12.7961","","21.4094","","90","","90","","120","","3035.92","","","","","","","","","","","","Case Collina, Latium, Italy","8","P 3 1 c","P 3 -2c","159","","","Afghanite","- Al12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12 -","- Al12 Ca5.515 Cl2.99999 K2.505 Na7.5 O59.9999 S3 Si12 -","- Al24 Ca11.03 Cl5.99998 K5.01 Na15 O120 S6 Si24 -","2","0.333333","","Ballirano, P.; Bosi, F.","Thermal behavior of afghanite, an ABABACAC member of the cancrinite group","American Mineralogist","2012","97","","630","640","10.2138/am.2012.3898","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9016578","12.6678","","12.6678","","10.3401","","90","","90","","120","","1437","","","","","","","","","","","","the Khibina Alkaline massif, Kola Peninsula, Russia","7","P 3 1 c","P 3 -2c","159","","","Carbobystrite","- C H6.96 Al6 K0.36 Na7.561 O30.48 Si6 -","- C H6.96 Al6 K0.36 Na7.561 O30.48 Si6 -","- C2 H13.92 Al12 K0.72 Na15.122 O60.96 Si12 -","2","0.333333","","Khomyakov, A. P.; Camara, F.; Sokolova, E.","Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure","The Canadian Mineralogist","2010","48","","291","300","10.3749/canmin.48.2.291","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016619","5.1652","","5.1652","","8.7326","","90","","90","","120","","201.766","","","","","","","","","","","","a granulite facies gneiss from the Punalur district in Kerala, India","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K0.986 O4 Si -","- Al2 K1.972 O8 Si2 -","- Al2 K1.972 O8 Si2 -","","","","Gatta, G. D.; Angel, R. J.; Carpenter, M. A.","Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 275 K","American Mineralogist","2010","95","","1027","1034","10.2138/am.2010.3478","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017146","11.171","","11.171","","21.364","","90","","90","","120","","2308.86","","","","","","","","","","","","NChwaning mine, Kuruman, South Africa","5","P 3 1 c","P 3 -2c","159","","","Ettringite","- Al2 Ca6 H66 O51 S3 -","- Al2 Ca6 H78 O51 S3 -","- Al4 Ca12 H156 O102 S6 -","2","0.333333","","Gatta, G. D.; Halenius, U.; Bosi, F.; Canadillas-Delgado L; Fernandez-Diaz M T","Minerals in cement chemistry: A single-crystal neutron diffraction study of ettringite, Ca6Al2(SO4)3(OH)12·27H2O","American Mineralogist","2019","104","","73","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9017152","8.56","","8.56","","20.19","","90","","90","","120","","1281.19","","","","","","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","Wickenburgite","- Al1.97 Ca Fe0.03 H6 O30 Pb3 Si10 -","- Al1.97 Ca Fe0.03 H6 O30 Pb3 Si10 -","- Al3.94 Ca2 Fe0.06 H12 O60 Pb6 Si20 -","2","0.333333","","Lam, A. E.; Groat, L. A.","The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement","The Canadian Mineralogist","1994","32","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017153","8.546","","8.546","","20.168","","90","","90","","120","","1275.61","","","","","","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","Wickenburgite","- Al1.81 Ca Fe0.19 H6 O30 Pb3 Si10 -","- Al1.81 Ca Fe0.19 H6 O30 Pb3 Si10 -","- Al3.62 Ca2 Fe0.38 H12 O60 Pb6 Si20 -","2","0.333333","","Lam, A. E.; Groat, L. A.","The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement","The Canadian Mineralogist","1994","32","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017163","9.044","","9.044","","16.706","","90","","90","","120","","1183.38","","","","","","","","","","","","Synthetic","6","P 3 1 c","P 3 -2c","159","","","Gengenbachite","- Al0.338 Fe2.662 H20.001 K O30 P6 -","- Al0.338 Fe2.662 H18 K O30 P6 -","- Al0.676 Fe5.324 H36 K2 O60 P12 -","2","0.333333","","Hu, Z. B.; Wang, C. X.; Tong, C. Q.; Huang, Y. X.; Pan, Y.; Mi, J. X.","Crystal structure and magnetic property of synthetic gengenbachite, KH8(Fe2.66Al0.34)(PO4)6*6H2O","The Canadian Mineralogist","2013","51","","223","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:52",""
"9017418","5.268","","5.268","","13.48","","90","","90","","120","","323.975","","","","","","","","","","","","Synthetic","5","P 3 1 c","P 3 -2c","159","","","Abellaite","- C2 H Na O7 Pb2 -","- C2 H Na O7 Pb2 -","- C4 H2 Na2 O14 Pb4 -","2","0.333333","","Belokoneva, E. L.; Al'-Ama A G; Dimitrova, O. V.; Kurazhkovskaya, V. S.; Stefanovich, S. Y.","Synthesis and crystal structure of new carbonate NaPb2(CO3)2(OH)","Crystallography Reports","2002","47","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""