# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:26:57+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/m' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000482","6.703","0.002","6.703","0.002","5.63","0.002","90","","90","","90","","253","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","Lanthanum palladium oxide (2/2/5)","","- La2 O5 Pd2 -","- La2 O5 Pd2 -","- La4 O10 Pd4 -","2","0.25","","Attfield, J P; Ferey, G","Structural correlations within the lanthanum palladium oxide family","Journal of Solid State Chemistry","1989","80","","286","298","10.1016/0022-4596(89)90091-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010964","6.37","","6.37","","6.58","","90","","90","","90","","267","","","","","","","","","","","","from Rustenburg and Potgietersrust, S.Africa","4","P 42/m","-P 4c","84","","Platinum palladium nickel sulfide (.6/.3/.1/1)","Braggite","- Ni0.13 Pd0.31 Pt0.56 S -","","","8","1","","Bannister, F A","The discovery of braggite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","201","202","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011155","6.43","0.02","6.43","0.02","6.63","0.02","90","","90","","90","","274.1","","","","","","","","","","","","synthetic","2","P 42/m","-P 4c","84","","Palladium sulfide","Vysotskite","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Gaskell, T F","The structure of braggite and palladium sulphide.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","203","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1502707","23.5711","0.0006","23.5711","0.0006","12.4361","0.0006","90","","90","","90","","6909.5","0.4","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","tetrabutylammonium chloride TS I clathrate hydrate","tetrabutylammonium chloride clathrate hydrate","","- C16 H100 Cl N O32 -","- C20 H47 Cl0.621 N1.25 O41.597 -","- C80 H188 Cl2.484 N5 O166.388 -","4","0.5","","Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.","Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.","The journal of physical chemistry. B","2010","114","36","11838","11846","10.1021/jp103939q","","","0.71073","MoKα","","0.1167","0.1024","","","0.2853","0.2982","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502708","23.5818","0.0006","23.5818","0.0006","12.4148","0.0007","90","","90","","90","","6903.9","0.5","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","tetrabutylammonium chloride TS I clathrate hydrate","tetrabutylammonium chloride clathrate hydrate","","- C16 H100 Cl N O32 -","- C20 H46 Cl0.656 N1.25 O41.624 -","- C80 H184 Cl2.624 N5 O166.496 -","4","0.5","","Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.","Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.","The journal of physical chemistry. B","2010","114","36","11838","11846","10.1021/jp103939q","","","0.71073","MoKα","","0.1121","0.1003","","","0.2784","0.288","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502709","23.5211","0.0007","23.5211","0.0007","12.488","0.0006","90","","90","","90","","6908.9","0.4","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","tetrabutylammonium chloride TS I clathrate hydrate","tetrabutylammonium chloride clathrate hydrate","","- C16 H96 Cl N O30 -","- C16.3392 H36 Cl0.4928 N1.8 O33.144 -","- C81.696 H180 Cl2.464 N9 O165.72 -","5","0.625","","Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.","Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.","The journal of physical chemistry. B","2010","114","36","11838","11846","10.1021/jp103939q","","","0.71073","MoKα","","0.1602","0.1392","","","0.4385","0.4687","","","","","","2.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502710","23.488","0.004","23.488","0.004","12.529","0.002","90","","90","","90","","6912","2","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","tetrabutylammonium chloride TS I clathrate hydrate","tetrabutylammonium chloride clathrate hydrate","","- C16 H96 Cl N O30 -","- C16 H36 Cl0.5776 N O32.9472 -","- C80 H180 Cl2.888 N5 O164.736 -","5","0.625","","Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.","Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.","The journal of physical chemistry. B","2010","114","36","11838","11846","10.1021/jp103939q","","","0.71073","MoKα","","0.1515","0.1313","","","0.3536","0.3719","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511700","6.444","","6.444","","10.156","","90","","90","","90","","421.729","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","Sr2 Ru7 B8","","- B8 Ru7 Sr2 -","- B8 Ru7 Sr2 -","- B16 Ru14 Sr4 -","2","0.25","","Jung, W.; Diessenbacher, F.","Sr2Ru7B8, ein Strontium-Rutheniumborid mit einer neuen, vom AlB2-Typ abgeleiteten Kanalstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","594","","57","65","10.1002/zaac.19915940107","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512259","23.506","0.003","23.506","0.003","12.563","0.003","90","","90","","90","","6941","2","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","h32 TBAB clathrate hydrate","tetra-n-butylammonium bromide clathrate hydrate","","- C16 H101 Br N O32.5 -","- C14.4 H32.8 Br0.8496 N1.2 O30.4112 -","- C72 H164 Br4.248 N6 O152.056 -","5","0.625","","Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu","Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates.","The journal of physical chemistry. B","2013","117","36","10677","10685","10.1021/jp406082z","","","0.71073","MoKα","","0.2256","0.2044","","","0.5597","0.5754","","","","","","2.615","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1521846","5.5741","","5.5741","","7.9243","","90","","90","","90","","246.213","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","Sr2 Fe0.97 Mo0.94 O5.81","","- Fe0.97 Mo0.94 O5.81 Sr2 -","- Fe0.97 Mo0.94 O5.808 Sr2 -","- Fe1.94 Mo1.88 O11.616 Sr4 -","2","0.25","","Ritter, C.; Ibarra, M.R.; Garcia, J.; Morellon, L.; Blasco, J.; de Teresa, J.M.","Structural and magnetic properties of double perovskites A A' Fe Mo O6 (AA' = Ba2, BaSr, Sr2, Ca)","Journal of Physics: Condensed Matter","2000","12","","8295","8308","","","","","","","","","","","","","","","","","","","","","","has coordinates","142062","2020-10-21","18:00:00",""
"1524399","5.826","","5.826","","7.328","","90","","90","","90","","248.729","","","","","","","","","","","","","2","P 42/m","-P 4c","84","","","","- Cu4 Pd -","- Cu4 Pd -","- Cu16 Pd4 -","4","0.5","","Geisler, A.H.; Newkirk, J.B.","Ordering reaction of the Cu4 Pd alloys","Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers","1954","200","","1076","1082","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526605","24.745","","24.745","","11.067","","90","","90","","90","","6776.49","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","Sn14 In10 P21.2 I8","","- I8 In10 P21.2 Sn14 -","- I8 In10.0008 P21.2 Sn13.9992 -","- I40 In50.004 P106 Sn69.996 -","5","0.625","","Shatruk, M.M.; Kovnir, K.A.; Shevel'kov, A.V.; Presnyakov, I.A.; Kloo, L.A.; Lindsjo, M.","Novel compounds Sn10 In14 P22 I8 and Sn14 In10 P21.2 I8 with clathrate I structure: synthesis and crystal and electronic structure","Journal of Solid State Chemistry","2001","161","","233","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","147813","2020-10-21","18:00:00",""
"1534886","8.4488","","8.4488","","4.0059","","90","","90","","90","","285.95","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","(Cu (C H3 S))","","- C H3 Cu S -","- C Cu S -","- C4 Cu4 S4 -","4","0.5","","Baumgartner, M.; Schmalle, H.W.; Baerlocher, C.","Synthesis, characterization, and crystal structure of three homoleptic copper(I) thiolates: (Cu (C H3 S-)), ((C6 H5)4 P+)2 (Cu5 (C H3 S-)7) * C2 H6 O2, and ((C3 H7)4 N+)2 (Cu4 (C H3 S-)6)*CH4O","Journal of Solid State Chemistry","1993","107","","63","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536093","6.6975","","6.6975","","6.996","","90","","90","","90","","313.816","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","","","- Co4 In9.08 Zn2.92 -","- Co4 In9.074 Zn2.926 -","- Co4 In9.074 Zn2.926 -","1","0.125","","Viklund, P.; Lidin, S.","Variations of the Fe Ga3 structure type in the systems Co In3-x Znx and Co Ga3-x Znx.","Journal of Solid State Chemistry","2002","165","","100","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536097","6.7255","","6.7255","","7.0087","","90","","90","","90","","317.02","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","","","- Co4 In10 Zn2.066 -","- Co4 In9.934 Zn2.066 -","- Co4 In9.934 Zn2.066 -","1","0.125","","Viklund, P.; Lidin, S.","Variations of the Fe Ga3 structure type in the systems Co In3-x Znx and Co Ga3-x Znx.","Journal of Solid State Chemistry","2002","165","","100","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537059","6.872","","6.872","","11.706","","90","","90","","90","","552.809","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","K2 Li (N H2)3","","- H6 K2 Li N3 -","- H6 K2 Li N3 -","- H24 K8 Li4 N12 -","4","0.5","","Kraus, F.; Korber, N.","K2 Li (N H2)3 and K2 Na (N H2)3 - Synthesis and crystal structure of two crystal-chemically isotypic mixed-cationic amides","Journal of Solid State Chemistry","2005","178","","1241","1246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537061","7.0044","","7.0044","","12.3617","","90","","90","","90","","606.485","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","K2 Na (N H2)3","","- H6 K2 N3 Na -","- H6 K2 N3 Na -","- H24 K8 N12 Na4 -","4","0.5","","Kraus, F.; Korber, N.","K2 Li (N H2)3 and K2 Na (N H2)3 - Synthesis and crystal structure of two crystal-chemically isotypic mixed-cationic amides","Journal of Solid State Chemistry","2005","178","","1241","1246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538224","6.4287","","6.4287","","6.6082","","90","","90","","90","","273.105","","","","","","","","","","","","","2","P 42/m","-P 4c","84","","","","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Gronvold, F.; Rost, E.","On the Sulfides, Selenides and Tellurides of Palladium","Acta Chemica Scandinavica (1-27,1973-42,1988)","1956","10","","1620","1634","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540967","8.822","","8.822","","7.271","","90","","90","","90","","565.885","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","(N H4)3 (Mo Cl6)","","- Cl6 H12 Mo N3 -","- Cl6 H12 Mo N3 -","- Cl12 H24 Mo2 N6 -","2","0.25","","Shibahara, T.; Yamasaki, M.","A new synthetic route to Hexachloromolybdate(III). An X-ray structure of (NH~4~)~3~[MoCl~6~]","Bulletin of the Chemical Society of Japan","1990","63","10","3022","3023","10.1246/bcsj.63.3022","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1559454","7.971","0.002","7.971","0.002","13.002","0.004","90","","90","","90","","826.1","0.4","","","294","","","","","","","","","5","P 42/m","-P 4c","84","[Mn(cyclam)Br2]Br","","","- C10 H24 Br3 Mn N4 -","- C10 Br3 Mn N4 -","- C20 Br6 Mn2 N8 -","2","0.25","","Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten","Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam)","Acta Chemica Scandinavica","1991","45","","244","253","10.3891/acta.chem.scand.45-0244","","x-ray","0.71069","MoKα","","","0.0589","","","0.0773","","","","","","","0.67","","","","has coordinates","258725","2020-11-04","08:52:35",""
"2000508","7.775","0.001","7.775","0.001","13.686","0.002","90","","90","","90","","827.33","0.19","","","","","","","","","","","","6","P 42/m","-P 4c","","","","","- C10 H24 Br2 Cl Cr N4 -","- C10 H24 Br3 Cl2 Cr N4 -","- C20 H48 Br6 Cl4 Cr2 N8 -","2","0.25","HE0039","Chattopadhyay, T. K.; Palmer, R. A.; Lisgarten, J. N.; Wyns, L.; Gazi, D. M.","Structures of chromium(III) cyclam complexes. 4. Structure of <i>trans</i>-bromochloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide displaying structural enantiomorphism with the dibromo complex","Acta Crystallographica Section C","1992","48","10","1756","1759","10.1107/S0108270192000039","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007347","7.711","0.002","7.711","0.002","17.076","0.002","90","","90","","90","","1015.3","0.4","293","2","293","2","","","","","","","","6","P 42/m","-P 4c","84","","Trans-dichloro-[(1RS,4RS,5SR,7RS,8SR,11SR,12RS,14SR)-5,7,12,14- tetramethyl-1,4,8,11-tetraazacyclotetradecane]cobalt(III) perchlorate","","- C14 H32 Cl3 Co N4 O4 -","- C14 H32 Cl3 Co N4 O4 -","- C28 H64 Cl6 Co2 N8 O8 -","2","0.25","KA1261","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Liu, Guey-Sung; Chi, Ta-Yung; Chung, Chung-Sun","<i>trans</i>-Dichloro[(1<i>RS</i>,4<i>RS</i>,5<i>SR</i>,7<i>RS</i>,8<i>SR</i>,11<i>SR</i>,12<i>RS</i>,14<i>SR</i>)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]cobalt(III) Perchlorate","Acta Crystallographica Section C","1998","54","6","714","716","10.1107/S0108270197019690","","","0.71073","MoKα","","0.06","0.039","","0.133","0.116","","","","1.318","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2100002","5.2696","0.0001","5.2696","0.0001","7.7105","0.0002","90","","90","","90","","214.106","0.008","293","","295","","","","","","","","","3","P 42/m","-P 4c","84","","","","- Ca F6 Tb -","- Ca F6 Tb -","- Ca2 F12 Tb2 -","2","0.25","","Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel","Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides","Acta Crystallographica, Section B: Structural Science","2005","61","1","1","10","10.1107/s0108768104026928","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100003","5.1877","0.00002","5.1877","0.00002","7.69451","0.00003","90","","90","","90","","207.077","0.001","293","","295","","","","","","","","","3","P 42/m","-P 4c","84","","","","- Cd F6 Tb -","- Cd F6 Tb -","- Cd2 F12 Tb2 -","2","0.25","","Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel","Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides","Acta Crystallographica, Section B: Structural Science","2005","61","1","1","10","10.1107/s0108768104026928","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2102529","11.183","0.003","11.183","0.003","3.525","0.002","90","","90","","90","","440.8","0.3","0","","","","","","","","","","","4","P 42/m","-P 4c","84","","trans-bis(mu!2$-Chloro)-dichloro-dicarbonyl-di-platinum(ii)","","- C2 Cl4 O2 Pt2 -","- C2 Cl4 O2 Pt2 -","- C4 Cl8 O4 Pt4 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103211","15.251","","15.251","","9.821","","90","","90","","90","","2284.3","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","[Ni2(cyclam)2-p-xyl]ClO4.2H2O, (cyclam)2-p-xyl is ???'-bis(1,4,8,11- tetraazacyclotetradecan-6-yl)-p-xylene)","","?","- C28 N8 Ni2 -","- C56 N16 Ni4 -","2","0.25","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2108041","7.896","0.001","7.896","0.001","7.724","0.001","90","","90","","90","","481.57","0.11","","","293","","","","","","","","","2","P 42/m","-P 4c","84","","","","- F4 Zr -","- F4 Zr -","- F32 Zr8 -","8","1","","Papiernik, R.; Mercurio, D.; Frit, B.","Structure du tetrafluorure de zirconium, ZrF4 alpha","Acta Crystallographica, Section B","1982","38","","2347","2353","10.1107/S0567740882008760","","x-ray","0.71069","MoKα","","","0.03","","","0.031","","","","","","","","","","","has coordinates","195804","2020-10-21","18:00:00",""
"2201296","10.0888","0.0011","10.0888","0.0011","16.094","0.002","90","","90","","90","","1638.1","0.3","293","2","293","2","","","","","","","","5","P 42/m","-P 4c","84","Bis(tetraethylammonium) octabromotrimercurate(II)","","","- C16 H40 Br8 Hg3 N2 -","- C16 H40 Br8 Hg3 N2 -","- C32 H80 Br16 Hg6 N4 -","2","0.25","BT6185","Nockemann, Peter; Meyer, Gerd","Bis(tetraethylammonium) octabromotrimercurate(II), (Et~4~N)~2~[Hg~3~Br~8~]","Acta Crystallographica Section E","2002","58","10","m531","m533","10.1107/S1600536802015301","","","0.71073","MoKα","","0.0592","0.0345","","","0.0808","0.0877","","","","","","0.908","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2213325","6.8321","0.0003","6.8321","0.0003","6.7605","0.0005","90","","90","","90","","315.56","0.03","295","2","295","2","","","","","","","","3","P 42/m","-P 4c","84","","tellurium compound strontium ditellurate(IV) tellurate(VI)","","- O8 Sr Te3 -","- O8 Sr Te3 -","- O16 Sr2 Te6 -","2","0.25","GW2008","Weil, Matthias; Stöger, Berthold","Redetermination of SrTe~3~O~8~ from a hydrothermally grown single crystal","Acta Crystallographica Section E","2007","63","5","i116","i118","10.1107/S1600536807015073","","","0.71073","MoKα","","0.0231","0.0229","","","0.0576","0.0577","","","","","","1.201","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"4001124","8.73091","0.00028","8.73091","","7.70497","0.00028","90","","90","","90","","587.34","0.03","773","5","","","","","","","","","","4","P 42/m","-P 4c","84","","","","- La Mn5 O13 Sr4 -","- La3.4 Mn5 O13 Sr1.6 -","- La6.8 Mn10 O26 Sr3.2 -","2","0.25","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","1.24","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001127","8.7206","0.0032","8.7206","","7.7289","0.0028","90","","90","","90","","587.8","0.3","573","5","","","","","","","","","","4","P 42/m","-P 4c","84","","","","- La Mn5 O13 Sr4 -","- La Mn5 O13 Sr4 -","- La2 Mn10 O26 Sr8 -","2","0.25","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085125","18.9215","0.001","18.9215","0.001","12.4689","0.0006","90","","90","","90","","4464.2","0.4","293","2","293","2","","","","","","","","6","P 42/m","-P 4c","84","","","","- C36 H53 Fe4 Ir N2 O12 -","- C36 H53 Fe4 Ir N2 O12 -","- C144 H212 Fe16 Ir4 N8 O48 -","4","0.5","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano","[H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters","Organometallics","2015","34","1","189","","10.1021/om5010513","","","0.71073","MoKα","","0.0463","0.0363","","","0.1","0.1083","","","","","","1.075","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4107957","18.6306","0.0008","18.6306","0.0008","15.2173","0.0012","90","","90","","90","","5281.9","0.5","220","2","220","2","","","","","","","","6","P 42/m","-P 4c","84","Na*2CB4*H2O*7TFA","Na*2CB4*H2O*7TFA","","- C58 H56 F21 N32 Na O31 -","- C52 H48 F12 N32 Na O25 -","- C104 H96 F24 N64 Na2 O50 -","2","0.25","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.0898","0.0779","","","0.1813","0.1867","","","","","","1.001","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4110628","19.93","0.003","19.93","0.003","14.509","0.004","90","","90","","90","","5763","2","100","2","100","2","","","","","","","","7","P 42/m","-P 4c","84","","","","- C14.5 H17.5 Br Cu N8 O1.5 P -","- C14.5 H18 Br Cu N8 O1.5 P -","- C116 H144 Br8 Cu8 N64 O12 P8 -","8","1","","Vadapalli Chandrasekhar; Ramachandran Azhakar; Venkatasubbaiah Krishnan; Arunachalampillai Athimoolam; Balasubramanian Murugesa Pandian","Cyclocarbophosphazene-Containing Tetrameric Assemblies Formed by the Mediation of P-O-P and P-O-Cu Linkages","Journal of the American Chemical Society","2006","128","","6802","6803","10.1021/ja061635m","","","0.71069","MoKα","","0.107","0.0583","","","0.1482","0.1623","","","","","","0.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115725","11.1734","0.0012","11.1734","0.0012","19.129","0.003","90","","90","","90","","2388.2","0.5","153.2","","153.2","","","","","","","","","4","P 42/m","-P 4c","84","","","","- C26 H36 P Y -","- C23 H2.5 P0.5 Y0.5 -","- C92 H10 P2 Y2 -","4","0.5","","Michael R. Douglass; Charlotte L. Stern; Tobin J. Marks","Intramolecular Hydrophosphination/Cyclization of Phosphinoalkenes and Phosphinoalkynes Catalyzed by Organolanthanides: Scope, Selectivity, and Mechanism","Journal of the American Chemical Society","2001","123","","10221","10238","10.1021/ja010811i","","","0.7107","MoKα","","0.204","0.067","","0.165","","0.138","","","","","","3.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4125188","8.718","0.003","8.718","0.003","6.719","0.002","90","","90","","90","","510.7","0.3","130","2","130","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- Ca6 Fe0.52 Li0.48 N3 Te2 -","- Ca6 Fe0.526 Li0.474 N3 Te2 -","- Ca12 Fe1.052 Li0.948 N6 Te4 -","2","0.25","","Dickman, Matthew J.; Latturner, Susan E.","Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b06024","","","0.71073","MoKα","","0.0196","0.0194","","","0.0495","0.0498","","","","","","1.4","","","","has coordinates","185831","2020-10-21","18:00:00",""
"4129095","13.9038","0.0007","13.9038","0.0007","17.3483","0.0009","90","","90","","90","","3353.7","0.3","150","","150","","","","","","","","","6","P 42/m","-P 4c","84","","","","- C79 H44 Cu2 I2 O12 P4 -","- C79 H44 Cu2 I2 O12 P4 -","- C158 H88 Cu4 I4 O24 P8 -","2","0.25","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0486","0.0458","","","0.134","0.1377","","","","","","1.102","","","","has coordinates,has disorder","227716","2020-10-21","18:00:00",""
"4316679","13.826","0.0008","13.826","0.0008","7.5173","0.0004","90","","90","","90","","1436.99","0.14","100","2","100","2","","","","","","","","4","P 42/m","-P 4c","84","","","","- As Cs5 P4 Se12 -","- As Cs5 P4 Se12 -","- As2 Cs10 P8 Se24 -","2","0.25","","Collin D. Morris; Mercouri G. Kanatzidis","Arsenic-Containing Chalcophosphate Molecular Anions","Inorganic Chemistry","2010","49","","9049","9054","10.1021/ic101461w","","","0.71073","MoKα","","0.0662","0.0643","","","0.1417","0.1423","","","","","","1.429","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316680","13.5875","0.0008","13.5875","0.0008","7.2999","0.0004","90","","90","","90","","1347.71","0.13","293","2","293","2","","","","","","","","4","P 42/m","-P 4c","84","","","","- As Cs5 P4 S12 -","- As Cs5 P4 S12 -","- As2 Cs10 P8 S24 -","2","0.25","","Collin D. Morris; Mercouri G. Kanatzidis","Arsenic-Containing Chalcophosphate Molecular Anions","Inorganic Chemistry","2010","49","","9049","9054","10.1021/ic101461w","","","0.71073","MoKα","","0.0666","0.0623","","","0.1388","0.1406","","","","","","1.191","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4508421","12.429","0.003","12.429","0.003","16.976","0.003","90","","90","","90","","2622.5","1","293","2","293","2","","","","","","","","7","P 42/m","-P 4c","84","","","","- C32 H56 Cl Mn2 N16 O12 W -","- C32 H56 Cl Mn2 N16 O12 W -","- C64 H112 Cl2 Mn4 N32 O24 W2 -","2","0.25","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0275","0.0235","","","0.0558","0.0577","","","","","","1.05","","","","has coordinates","179620","2020-10-21","18:00:00",""
"7007020","15.4352","0.0009","15.4352","0.0009","12.5412","0.0014","90","","90","","90","","2987.9","0.4","123","2","123","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C12 H34.5 N10 O10.25 Pt3 -","- C12 H34.5 N10 O10.25 Pt3 -","- C48 H138 N40 O41 Pt12 -","4","0.5","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and characterization of amidate bridged dimeric and oligomeric platinum complexes having short platinum-platinum interactions.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3445","3453","10.1039/b516410a","","","0.71073","MoKα","","0.0542","0.04","","","0.0969","0.1055","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7037105","21.483","0.002","21.483","0.0018","19.004","0.001","90","","90","","90","","8770.7","1.2","150","2","150","2","","","","","","","","6","P 42/m","-P 4c","84","","","","- C42 H57 B2 Bi N2 O3 -","- C42 H57 B2 Bi N2 O3 -","- C336 H456 B16 Bi8 N16 O24 -","8","1","","Fanfrlík, Jindřich; Sedlak, Robert; Pecina, Adam; Rulíšek, Lubomír; Dostál, Libor; Moncóľ, Ján; Růžička, Aleš; Hobza, Pavel","The non-planarity of the benzene molecule in the X-ray structure of the chelated bismuth(iii) heteroboroxine complex is not supported by quantum mechanical calculations.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","462","465","10.1039/c5dt04381f","","","0.71073","MoKα","","0.0875","0.0499","","","0.0976","0.1157","","","","","","1.093","","","","has coordinates,has disorder","175999","2020-10-21","18:00:00",""
"7057378","8.5167","0.0005","8.5167","0.0005","8.8404","0.0009","90","","90","","90","","641.23","0.08","296","2","296","2","","","","","","","","4","P 42/m","-P 4c","84","","","","- C10 H12 I2 O3 -","- C10 H12 I2 O3 -","- C20 H24 I4 O6 -","2","0.25","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0446","0.0294","","","0.064","0.0741","","","","","","1.079","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7107102","13.476","0.003","13.476","0.003","14.118","0.004","90","","90","","90","","2563.9","1.1","125","2","125","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C15 H44 Br P5 W -","- C15 H44 Br P5 W -","- C60 H176 Br4 P20 W4 -","4","0.5","","Aaron Sattler; Gerard Parkin","Formation of a cationic alkylidene complex via formal hydride abstraction: synthesis and structural characterization of [W(PMe3)4(n\2-CHPMe2)H]X (X = Br, I)","Chem.Commun.","2011","47","","12828","","10.1039/c1cc15457e","","","0.71073","MoKα","","0.0261","0.0188","","","0.041","0.0433","","","","","","1.042","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107103","13.598","0.003","13.598","0.003","14.392","0.003","90","","90","","90","","2661.2","1","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C15 H44 I P5 W -","- C15 H44 I P5 W -","- C60 H176 I4 P20 W4 -","4","0.5","","Aaron Sattler; Gerard Parkin","Formation of a cationic alkylidene complex via formal hydride abstraction: synthesis and structural characterization of [W(PMe3)4(n\2-CHPMe2)H]X (X = Br, I)","Chem.Commun.","2011","47","","12828","","10.1039/c1cc15457e","","","0.71073","MoKα","","0.0295","0.022","","","0.0469","0.0497","","","","","","1.054","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7109139","14.842","0.001","14.842","0.001","25.8161","0.0018","90","","90","","90","","5686.9","0.7","100","2","100","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C112 H176 Cu2 N10 O18 -","- C100 H156 Cu2 N8 O16 -","- C200 H312 Cu4 N16 O32 -","2","0.25","","Maria Castellano; Rafael Ruiz-Garcia; Joan Cano; Miguel Julve; Francesc Lloret; Yves Journaux; Giovanni De Munno; Donatella Armentano","Multielectron transfer in a dicopper(II) anthraquinophane","Chem.Commun.","2013","49","","3534","","10.1039/c3cc41434e","","","0.71073","MoKα","","0.0604","0.0553","","","0.1656","0.1696","","","","","","1.229","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7159028","24.7343","0.0013","24.7343","0.0013","13.8021","0.0011","90","","90","","90","","8443.9","0.9","150","2","150","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C136 H218 N8 O81 S8 -","- C136 H218 N8 O81 S8 -","- C272 H436 N16 O162 S16 -","2","0.25","","Zhou, Jia-Liang; Li, Yan-Hong; Zhang, Ying-Ming; Chen, Ling; Liu, Yu","Enhanced molecular binding affinity toward aromatic dications by anthracene-derived crown ethers in water.","Organic & biomolecular chemistry","2022","21","1","107","114","10.1039/d2ob02010f","","","0.71073","MoKα","","0.2687","0.1676","","","0.4756","0.5819","","","","","","1.012","","","","has coordinates,has disorder","281551","2023-03-04","18:38:06",""
"7208980","12.3244","0.0002","12.3244","0.0002","5.9519","0.0002","90","","90","","90","","904.04","0.04","293","2","293","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C7 H4 Cu2 N4 S -","- C7 H4 Cu2 N4 S -","- C28 H16 Cu8 N16 S4 -","4","0.5","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","1.54178","CuKα","","0.0984","0.0905","","","0.2143","0.2168","","","","","","1.119","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7210986","15.0103","0.0008","15.0103","0.0008","10.0791","0.0012","90","","90","","90","","2270.9","0.3","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C H Co N O -","- C3.03448 H1.51724 Co0.137931 N0.413793 O -","- C88 H44 Co4 N12 O29 -","29","3.625","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1061","0.0811","","","0.2106","0.2387","","","","","","1.107","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211108","19.522","0.0008","19.522","0.0008","33.791","0.003","90","","90","","90","","12878","1.4","213","2","213","2","","","","","","","","8","P 42/m","-P 4c","84","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 2 Dichloromethane","","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C352 H480 Cd16 Cl32 F48 N144 S16 Si8 -","8","1","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.065","0.0559","","","0.1487","0.1544","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7228908","11.7389","0.0003","11.7389","0.0003","13.314","0.0006","90","","90","","90","","1834.69","0.11","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C26 H40 Cu2 N6 O21 -","- C26 H40 Cu2 N6 O21 -","- C52 H80 Cu4 N12 O42 -","2","0.25","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0827","0.0615","","","0.1713","0.186","","","","","","1.097","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7235769","14.9438","0.0005","14.9438","0.0005","10.129","0.0007","90","","90","","90","","2261.98","0.19","273","2","273","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C22 H14 N3 O5 Zn -","- C22 H14 N3 O5 Zn -","- C88 H56 N12 O20 Zn4 -","4","0.5","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.0719","0.0607","","","0.2101","0.2228","","","","","","1.216","","","","has coordinates,has disorder","233308","2020-10-21","18:00:00",""
"7236058","14.8967","0.0002","14.8967","0.0002","10.0502","0.0003","90","","90","","90","","2230.26","0.08","173","2","173","2","","","","","","","","6","P 42/m","-P 4c","84","","","","- C32 H18 Co2 N3 Na O12 -","- C32 H18 Co2 N3 Na O12 -","- C64 H36 Co4 N6 Na2 O24 -","2","0.25","","Han, Yi; Sheng, Shunan; Yang, Fan; Xie, Yabo; Zhao, Minjian; Li, Jian-Rong","Size-exclusive and coordination-induced selective dye adsorption in a nanotubular metal‒organic framework","Journal of Materials Chemistry A","2015","3","24","12804","","10.1039/C5TA00963D","","","1.54178","CuKα","","0.0814","0.0632","","","0.1874","0.1986","","","","","","1.06","","","","has coordinates","233885","2020-10-21","18:00:00",""
"7243255","16.7599","0.0004","16.7599","0.0004","19.4746","0.0009","90","","90","","90","","5470.3","0.3","100","2","100.01","0.1","","","","","","","","8","P 42/m","-P 4c","84","","","","- C64 H72 B8 Cl8 F16 K10 O29 Si8 -","- C64 H72 B8 Cl8 F16 K10 O29 Si8 -","- C128 H144 B16 Cl16 F32 K20 O58 Si16 -","2","0.25","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.2627","0.26","","","0.469","0.4704","","","","","","1.202","","","","has coordinates,has disorder","267692","2021-07-22","05:06:37",""
"7244564","18.3974","0.0001","18.3974","0.0001","20.6604","0.0002","90","","90","","90","","6992.81","0.09","100","0.1","100","0.1","","","","","","","","5","P 42/m","-P 4c","84","p-sulfonatocalix[4]arene/pillar[4]pyridinum host-guest complex","","","- C52 H72 N4 O30 S4 -","- C52 H44 N4 O30 S4 -","- C208 H176 N16 O120 S16 -","4","0.5","","Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media","CrystEngComm","2022","","","","","10.1039/D2CE00232A","","","1.54184","CuKα","","0.0993","0.0893","","","0.2615","0.2781","","","","","","1.026","","","","has coordinates,has disorder","273291","2022-03-03","23:41:40",""
"7244994","23.557","0.003","23.557","0.003","12.4259","0.0016","90","","90","","90","","6895.5","1.5","123","2","123","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C16.61 H102.08 Cl N O33.04 -","- C16.6111 H85.293 Cl1.026 N O34.2641 -","- C83.0556 H426.465 Cl5.13 N5 O171.32 -","5","0.625","","Muromachi, Sanehiro; Takeya, Satoshi; Alavi, Saman; Ripmeester, John A.","Structural CO2 capture preference of semiclathrate hydrate formed with tetra-n-butylammonium chloride","CrystEngComm","2022","","","","","10.1039/D2CE00598K","","","0.7107","MoKα","","0.0877","0.0595","","","0.1563","0.1746","","","","","","1.03","","","","has coordinates,has disorder","275672","2022-05-27","22:31:28",""
"7248687","9.1","0.003","9.1","0.003","17.743","0.006","90","","90","","90","","1469.3","0.8","296","2","296.15","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C20 H44 N O14 Re -","- C20 H44 N O14 Re -","- C40 H88 N2 O28 Re2 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.1333","0.0838","","","0.2257","0.2607","","","","","","1.086","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7715099","17.6693","0.0007","17.6693","0.0007","32.9554","0.0014","90","","90","","90","","10288.8","0.7","102","","102","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C72 H58 N4 O15 Ru2 -","- C72 H58 N4 O15 Ru2 -","- C432 H348 N24 O90 Ru12 -","6","0.75","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","x-ray","0.71073","MoKα","","0.129","0.0885","","","0.2181","0.2576","","","","","","1.049","","","","has coordinates","289306","2024-02-04","02:01:07",""
"8103949","6.393","","6.393","","10.717","","90","","90","","90","","438.009","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","Na Sb Cl6","","- Cl6 Na Sb -","- Cl6 Na Sb -","- Cl12 Na2 Sb2 -","2","0.25","","Henke, H.","Zur kristallchemischen Einordnung von NaSbCl6, NaNbCl6 und NaTaCl6","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","1","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007574","6.38","","6.38","","6.57","","90","","90","","90","","267.428","","","","","","","","","","","","Potgietersrust district, Transvaal, South Africa","4","P 42/m","-P 4c","84","","","Braggite","- Ni0.5 Pd Pt2.5 S4 -","- Ni0.5001 Pd Pt2.4999 S4 -","- Ni1.0002 Pd2 Pt4.9998 S8 -","2","0.25","","Childs, J. D.; Hall, S. R.","The crystal structure of braggite, (Pt,Pd,Ni)S","Acta Crystallographica, Section B","1973","29","","1446","1451","10.1107/S056774087300470X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008963","6.4287","","6.4287","","6.6082","","90","","90","","90","","273.105","","","","","","","","","","","","","2","P 42/m","-P 4c","84","","","","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9008964","6.72","","6.72","","6.9","","90","","90","","90","","311.593","","","","","","","","","","","","","2","P 42/m","-P 4c","84","","","","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9013399","6.429","","6.429","","6.611","","90","","90","","90","","273.246","","","","","","","","","","","","Synthetic","2","P 42/m","-P 4c","84","","","Vysotskite","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Brese, N. E.; Squattrito, P. J.; Ibers, J. A.","Reinvestigation of the structure of PdS","Acta Crystallographica, Section C","1985","41","","1829","1830","10.1107/S0108270185009623","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014933","7.8498","","7.8498","","5.7452","","90","","90","","90","","354.016","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.5","","Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.","Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 10.5 GPa, this is denoted as Phase III","Journal of Physics: Condensed Matter","2006","18","","S1021","S1037","10.1088/0953-8984/18/25/S09","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""