# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:57:35+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Crystals') AND volume = 1 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
"1508363","15.525","0.0014","22.703","0.002","31.993","0.003","90","","90","","90","","11276.4","1.8","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H88 N24 Ni6 O19 S2 -","- C94 H76 N24 Ni6 O19 S2 -","- C376 H304 N96 Ni24 O76 S8 -","4","0.5","","Zheng, Xiao-Feng; Zhu, Long-Guan","An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O","Crystals","2011","1","3","120","127","10.3390/cryst1030120","","","0.71073","MoKα","","0.1514","0.074","","","0.2034","0.26","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508364","7.3326","0.0005","19.4897","0.0014","8.6586","0.0006","90","","106.069","0.002","90","","1189.06","0.14","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7,7-dimethyl-2-pyridin-4-yl-6,7-dihydro[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine","","- C11 H13 N7 -","- C11 H13 N7 -","- C44 H52 N28 -","4","1","","Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung","Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine [1]","Crystals","2011","1","3","136","144","10.3390/cryst1030136","","x-ray","0.71073","MoKα","","0.0582","0.0476","","","0.1188","0.1255","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508365","5.0655","0.0006","8.4614","0.0008","46.856","0.005","90","","90","","90","","2008.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Alfonso, Ignacio; Bolte, Michael; Burguete, M. Isabel; Luis, Santiago V.","Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern","Crystals","2011","1","3","163","170","10.3390/cryst1030163","","","0.71073","MoKα","","0.091","0.0416","","","0.0603","0.0697","","","","","","0.73","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508366","9.9349","0.0008","6.3377","0.0005","10.5783","0.001","90","","97.752","0.003","90","","659.97","0.1","180","1","180","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C30 H24 N4 O4 S2 -","2","1","","Saeed, Aamer; ul Mahmood, Shams; Ishida, H.","Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Crystals","2011","1","3","171","177","10.3390/cryst1030171","","","0.71075","MoKα","","0.0271","0.0266","","","0.0702","0.0704","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508367","4.8499","0.0011","12.037","0.003","12.804","0.002","64.561","0.015","86.815","0.017","83.893","0.017","671.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 I2 O8 -","- C24 H32 I2 O8 -","- C24 H32 I2 O8 -","1","0.5","","Walbaum, Christine; Pantenburg, Ingo; Meyer, Gerd","Iodine Molecules Included in the Structure of Dibenzo-24-Crown-8, (I2)@(db24c8)","Crystals","2011","1","4","215","219","10.3390/cryst1040215","","","0.71073","MoKα","","0.0804","0.0301","","","0.0625","0.0751","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508369","20.941","0.0011","8.7523","0.0005","21.2291","0.0009","90","","93.529","0.003","90","","3883.5","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C176 H184 N8 O40 -","8","2","","Petrov, Anna; Jones, Roderick C.; Vaughan, Douglas G.; Lough, Alan J.; Gossage, Robert A.","The Crystal and Molecular Structure of (2Z)-2-[3-(4-Methoxybenzoyl)-4,4-dimethyl-1,2-oxazolidin-2-ylidene]-1-(4-methoxyphenyl)ethanone","Crystals","2011","1","4","229","235","10.3390/cryst1040229","","","0.71073","MoKα","","0.1167","0.0727","","","0.1872","0.2117","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508370","31.075","0.002","31.075","0.002","6.1875","0.0004","90","","90","","120","","5174.5","0.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C5 H19.47 N2 O5.24 P -","- C5 H19.46 N2 O5.23 P -","- C90 H350.28 N36 O94.14 P18 -","18","1","","Harrison, William T. A.","Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O","Crystals","2011","1","4","236","243","10.3390/cryst1040236","","","0.71073","MoKα","","0.0835","0.0444","","","0.097","0.1072","","","","","","0.928","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508371","8.564","0.005","9.593","0.006","11.607","0.006","90","","90","","90","","953.6","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H17 N2 O4 P -","- C5 H17 N2 O4 P -","- C20 H68 N8 O16 P4 -","4","1","","Harrison, William T. A.","Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2 HPO3 H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2 HPO3 2 23H2O","Crystals","2011","1","4","236","243","10.3390/cryst1040236","","","0.71073","MoKα","","0.1598","0.0657","","","0.065","0.0811","","","","","","0.785","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508372","22.43","0.004","8.1478","0.0016","13.522","0.003","90","","90","","90","","2471.2","0.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H9 F N2 O S -","- C14 H9 F N2 O S -","- C112 H72 F8 N16 O8 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich","Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Crystals","2011","1","4","254","259","10.3390/cryst1040254","","","0.71073","MoKα","","0.1001","0.0649","","","0.1439","0.1638","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508403","11.0965","0.0005","13.0586","0.0006","16.6135","0.0008","90","","108.324","0.001","90","","2285.31","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Mo N5 O3 -","- C25 H17 Mo N5 O3 -","- C100 H68 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.0719","0.0349","","","0.0622","0.07","","","","","","0.868","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508404","11.4788","0.0006","19.073","0.001","11.9881","0.0006","90","","95.179","0.001","90","","2613.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Mo N5 O3 -","- C31 H21 Mo N5 O3 -","- C124 H84 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.039","0.0304","","","0.0719","0.0758","","","","","","1.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508405","8.4222","0.0003","21.5966","0.0009","12.5011","0.0005","90","","94.065","0.001","90","","2268.12","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Mo N5 O3 -","- C24 H19 Mo N5 O3 -","- C96 H76 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.0345","0.0249","","","0.0614","0.0649","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508406","12.3829","0.0003","7.9124","0.0002","11.0858","0.0003","90","","114.788","0.002","90","","986.1","0.05","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H2 Ba O5 P -","- C H2 Ba O5 P -","- C8 H16 Ba8 O40 P8 -","8","1","","Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A.","Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4","Crystals","2012","1","2","59","68","10.3390/cryst1020059","","","0.71073","MoKα","","0.0168","0.0164","","","0.0392","0.0396","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508407","12.7393","0.0007","13.0111","0.0007","5.605","0.0003","90","","104.208","0.004","90","","900.62","0.09","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H18 Ba N2 O18 -","- C10 H18 Ba N2 O18 -","- C20 H36 Ba2 N4 O36 -","2","0.25","","Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A.","Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4","Crystals","2012","1","2","59","68","10.3390/cryst1020059","","","0.71073","MoKα","","0.0278","0.0266","","","0.0529","0.0537","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508408","12.1143","0.0008","3.9556","0.0003","14.2781","0.0009","90","","90","","90","","684.2","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 S4 -","- Ba Lu2 S4 -","- Ba4 Lu8 S16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0739","0.0643","","","0.1306","0.1361","","","","","","1.186","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508409","12.6132","0.0008","4.1089","0.0003","14.8774","0.0009","90","","90","","90","","771.04","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 Se4 -","- Ba Lu2 Se4 -","- Ba4 Lu8 Se16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0303","0.0259","","","0.0566","0.058","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508410","13.5358","0.0008","4.3847","0.0003","15.9362","0.0009","90","","90","","90","","945.82","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 Te4 -","- Ba Lu2 Te4 -","- Ba4 Lu8 Te16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0901","0.0603","","","0.0938","0.1032","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508411","11.7671","0.0018","10.8528","0.0017","10.2115","0.0015","90","","90.213","0.003","90","","1304.1","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As7 Cs2 Na -","- As7 Cs2 Na -","- As28 Cs8 Na4 -","4","1","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.088","0.0441","","","0.0678","0.0812","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508412","10.608","0.003","16.761","0.005","14.363","0.004","90","","91.785","0.005","90","","2552.5","1.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As14 Cd Cs4 -","- As14 Cd Cs4 -","- As56 Cd4 Cs16 -","4","1","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.051","0.032","","","0.0554","0.061","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508413","29.067","0.002","10.4714","0.0008","43.039","0.003","90","","128.092","0.001","90","","10309.9","1.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As14 Cs4 Zn -","- As14 Cs4 Zn -","- As224 Cs64 Zn16 -","16","4","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.0912","0.0436","","","0.0737","0.0893","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508414","6.8712","0.0009","6.8712","0.0009","12.2531","0.0017","90","","90","","120","","501","0.12","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","Tri-natrium-molybdo(III)hexa-chlorid","","","- Cl6 Mo Na3 -","- Cl6 Mo Na3 -","- Cl12 Mo2 Na6 -","2","0.166667","","Beran, Martin; Meyer, Gerd","Crystal Structure of Na3MoCl6","Crystals","2012","1","3","99","103","10.3390/cryst1030099","","","0.71073","MoKα","","0.035","0.0238","","","0.0671","0.0706","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508415","7.2279","0.0017","7.2279","0.0017","5.469","0.003","90","","90","","120","","247.44","0.16","120","2","120","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Sn3 -","- Ba Sn3 -","- Ba2 Sn6 -","2","0.0833333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure","Crystals","2012","1","3","104","111","10.3390/cryst1030104","","","0.71073","MoKα","","0.0137","0.0137","","","0.0301","0.0301","","","","","","1.321","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508416","7.2604","0.0013","7.2604","0.0013","5.382","0.002","90","","90","","120","","245.69","0.11","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba In0.2 Sn2.8 -","- Ba In0.21 Sn2.79 -","- Ba2 In0.42 Sn5.58 -","2","0.0833333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure","Crystals","2012","1","3","104","111","10.3390/cryst1030104","","","0.71073","MoKα","","0.0207","0.0207","","","0.041","0.041","","","","","","1.295","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508417","4.5383","0.0006","12.2486","0.0016","14.3747","0.0019","90","","90","","90","","799.06","0.18","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Ga1.79 Sn4.21 -","- Ba Ga1.79 Sn4.21 -","- Ba4 Ga7.16 Sn16.84 -","4","0.25","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0306","0.0258","","","0.0588","0.0606","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508418","11.68","0.0012","11.68","0.0012","11.68","0.0012","90","","90","","90","","1593.4","0.3","293","2","293","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ga14.5 Sn31.5 -","- Ba8 Ga14.456 Sn31.544 -","- Ba8 Ga14.456 Sn31.544 -","1","0.0208333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0392","0.0295","","","0.0554","0.0577","","","","","","1.218","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508419","11.5843","0.0007","11.5843","0.0007","11.5843","0.0007","90","","90","","90","","1554.57","0.16","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ba8 Ga13.2 Sn32.8 -","- Ba8 Ga13.212 Sn32.796 -","- Ba8 Ga13.212 Sn32.796 -","1","0.0208333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0199","0.0187","","","0.0453","0.0456","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508420","19.032","0.001","47.979","0.003","17.596","0.001","90","","116.066","0.004","90","","14433.3","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","- C576 H480 N144 Ni24 O192 -","24","6","","Prior, Timothy J.; Rujiwatra, Apinpus; Chimupala, Yothin","[Ni(1,10-phenanthroline)2(H2O)2](NO3)2: A Simple Coordination Complex with a Remarkably Complicated Structure that Simplifies on Heating","Crystals","2012","1","3","178","194","10.3390/cryst1030178","","","0.71073","MoKα","","0.1102","0.0632","","","0.1449","0.1715","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508421","17.247","0.007","4.9279","0.0018","12.24","0.005","90","","132.558","0.004","90","","766.3","0.5","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba5 Cd2 O2 Sb4 -","- Ba5 Cd2 O2 Sb4 -","- Ba10 Cd4 O4 Sb8 -","2","0.25","","Darone, Gregory M.; Bobev, Svilen","Ba5Cd2Sb4O2, A New Antimonide Oxide with a Complex Structure","Crystals","2012","1","3","206","214","10.3390/cryst1030206","","","0.71073","MoKα","","0.0291","0.0241","","","0.0492","0.0513","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508422","13.7685","0.001","11.7274","0.0012","17.0023","0.0017","90","","115.197","0.006","90","","2484.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Bi I5 O5 -","- C14 H20 Bi I5 O5 -","- C56 H80 Bi4 I20 O20 -","4","1","","Fiolka, Christoph; Richter, Mark; Pantenburg, Ingo; Mudring, Anja-Verena; Meyer, Gerd","(B15c5)BiI3(I2): Molecular Benzo-15-Crown-5‒BiI3 Complexes Bridged by Iodine Molecules to Chains","Crystals","2012","1","4","220","228","10.3390/cryst1040220","","","0.71073","MoKα","","0.0395","0.029","","","0.0637","0.0713","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"9017905","8.0004","","5.1487","","14.7501","","90","","92.908","","90","","606.799","","","","232","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Allantoin","- C4 H6 N4 O3 -","- C16 H24 N16 O12 -","- C16 H24 N16 O12 -","","","","Xu, B.; Sung, C.; Han, B.","Crystal structure characterization of natural allantoin from edible lichen Umbilicaria esculenta Note: T = 232 K","Crystals","2011","1","","128","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""