# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-11-03T02:34:25+01:00
# 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 'IUCrData') AND volume = 11 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
"1577472","5.8161","0.0003","5.8161","0.0003","12.887","0.0013","90","","90","","90","","435.93","0.05","296","1","296","1","","","","","","","","4","P 42/m c m","-P 4c 2c","132","Pb~2~O(OH)Br","Dilead(II) oxyhydroxide bromide","","- Br H O2 Pb2 -","- Br O2 Pb2 -","- Br4 O8 Pb8 -","4","0.25","WM4254","Kunisawa, Hibiki; Yamaura, Jun-ichi; Nomura, Toshihiro","Dilead(II) oxyhydroxide bromide","IUCrData","2026","11","8","","","10.1107/S241431462600790X","","x-ray","0.71073","MoKα","","0.0736","0.0435","","","0.1176","0.1305","","","","","","1.119","","","","has coordinates","306771","2026-08-29","13:55:01",""
"1577473","7.2133","0.0004","11.9888","0.0008","15.2093","0.001","90","","103.623","0.002","90","","1278.28","0.14","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Diaquabis(pyridin-2-yl thiophen-2-yl ketone-κ^2^<i>N</i>,<i>O</i>)cobalt(II) bis(tetrafluoridoborate)","","- C20 H18 B2 Co F8 N2 O4 S2 -","- C20 H18 B2 Co F8 N2 O4 S2 -","- C40 H36 B4 Co2 F16 N4 O8 S4 -","2","0.5","WM4252","Westcott, Barry L.","<i>trans</i>-Di-aqua-bis-(pyridin-2-yl thio-phen-2-yl ketone-κ<sup>2</sup> <i>N</i>,<i>O</i>)cobalt(II) bis-(tetra-fluorido-borate).","IUCrData","2026","11","Pt 7","x260749","","10.1107/S2414314626007492","","","0.71073","MoKα","","0.0355","0.0341","","","0.0972","0.0987","","","","","","1.047","","","","has coordinates,has disorder","306802","2026-08-29","15:28:28",""
"1577474","13.0674","0.0004","8.0633","0.0002","16.4309","0.0005","90","","101.412","0.003","90","","1697.04","0.09","100","0.3","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-2-[(4-Ethoxyphenyl)imino]-1,2-diphenylethanone","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","ZL4101","Chiter, Chaabane; Boudinar, Yamina; Akkache, Hibet Errahmane Meroua; Djedouani, Amel; Tabti, Salima; Jeanneau, Erwann","(2<i>E</i>)-2-[(4-Eth-oxy-phen-yl)imino]-1,2-di-phenylethanone.","IUCrData","2026","11","Pt 7","x260740","","10.1107/S2414314626007406","","","0.71073","MoKα","","0.0859","0.0517","","","0.105","0.1173","","","","","","1.044","","","","has coordinates","306803","2026-08-29","15:28:40",""
"1577475","17.88872","0.00012","7.41487","0.00005","24.58312","0.00017","90","","108.405","0.0007","90","","3093.97","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{Bis[2-(pyridin-2-yl)ethyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dibromidocopper(II)","","- C14 H17 Br2 Cu N3 -","- C14 H17 Br2 Cu N3 -","- C112 H136 Br16 Cu8 N24 -","8","2","BH4103","Bess, Zachariah; Oscar, Celisha; Bithi, Ummey Hafsa; Duenas Parapar, Diego; Lowe, William Jacob; Madzig, Fruzsina; Gultneh, Yilma; Butcher, Ray J.","{Bis[2-(pyridin-2-yl)eth-yl]amine}-dibromidocopper(II).","IUCrData","2026","11","Pt 7","x260689","","10.1107/S2414314626006899","","","1.54184","CuKα","","0.0345","0.0343","","","0.09","0.0902","","","","","","1.184","","","","has coordinates","306804","2026-08-29","15:28:47",""
"1577476","6.5043","0.0017","13.456","0.003","17.082","0.004","90","","90","","90","","1495","0.6","90","2","90.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,9-Dimethylphenanthro[2,1-<i>b</i>:6,5-<i>b</i>']dithiophene","","- C20 H14 S2 -","- C20 H14 S2 -","- C80 H56 S8 -","4","1","HB4565","Moriguchi, Tetsuji; Sasaki, Misa; Miyoshi, Noriko","2,9-Di-methyl-phenanthro[2,1-<i>b</i>:6,5-<i>b</i>']di-thio-phene.","IUCrData","2026","11","Pt 7","x260700","","10.1107/S2414314626007005","","","0.71073","MoKα","","0.0287","0.0265","","","0.0636","0.0647","","","","","","1.0818","","","","has coordinates","306805","2026-08-29","15:28:54",""
"1577477","7.4979","0.0002","7.4979","0.0002","7.4979","0.0002","90","","90","","90","","421.521","0.019","100","","100","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Uranium diosmium","","- Os2 U -","- Os2 U -","- Os16 U8 -","8","0.0416667","WM4251","Ivlev, Sergei I.; Conrad, Matthias; Wolf, Carsten; Kraus, Florian","Refinement of the crystal structure of UOs<sub>2</sub> from single-crystal X-ray diffraction data.","IUCrData","2026","11","Pt 7","x260691","","10.1107/S2414314626006917","","","0.71073","MoKα","","0.0212","0.0197","","","0.046","0.0468","","","","","","1.399","","","","has coordinates","306806","2026-08-29","15:29:11",""
"1577478","9.8728","0.0016","11.525","0.003","11.837","0.002","85.846","0.005","71.992","0.003","66.799","0.003","1175.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Chlorido((<i>E</i>)-2-{2-[(2-hydroxybenzylidene)amino]-2-(pyridin-2-yl)-1-[(pyridin-2-ylmethyl)amino]ethyl}phenolato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>)copper(II)","","- C26 H23 Cl Cu N4 O2 -","- C26 H23 Cl Cu N4 O2 -","- C52 H46 Cl2 Cu2 N8 O4 -","2","1","WM4253","Alkhamis, Kholood; Gultneh, Yilma; Butcher, Ray J.","Chlorido-((<i>E</i>)-2-{2-[(2-hy-droxy-benzyl-idene)amino]-2-(pyridin-2-yl)-1-[(pyridin-2-ylmeth-yl)amino]eth-yl}phenolato-κ<sup>4</sup> <i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>)copper(II).","IUCrData","2026","11","Pt 7","x260716","","10.1107/S2414314626007169","","","0.71073","MoKα","","0.0583","0.0475","","","0.1234","0.1324","","","","","","1.049","","","","has coordinates","306807","2026-08-29","15:29:18",""
"1577479","5.46611","0.00013","28.6332","0.0005","16.289","0.0004","90","","90.012","0.002","90","","2549.43","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Carnosinium bromide","5-[(2<i>S</i>)-2-(3-Azaniumylpropanamido)-2-carboxylatoethyl]-1<i>H</i>-imidazol-3-ium bromide","","- C9 H15 Br N4 O3 -","- C9 H15 Br N4 O3 -","- C72 H120 Br8 N32 O24 -","8","4","TK4128","Hamilton, Fiona; Harrison, William T. A.","Carnosinium bromide.","IUCrData","2026","11","Pt 7","x260726","","10.1107/S2414314626007261","","","0.71073","MoKα","","0.0364","0.0352","","","0.0912","0.092","","","","","","1.056","","","","has coordinates","306808","2026-08-29","15:29:29",""
"1577480","8.5992","0.0009","10.2612","0.0012","15.439","0.0016","84.711","0.004","78.45","0.004","81.738","0.004","1318","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-Benzene)dichlorido[dicyclohexyl(4-isopropylphenyl)phosphane-κ<i>P</i>]ruthenium(II)","","- C27 H39 Cl2 P Ru -","- C27 H39 Cl2 P Ru -","- C54 H78 Cl4 P2 Ru2 -","2","1","WM4255","Kelani, Monsuru T.; Hosten, Eric C.; Muller, Alfred; Lammertsma, Koop","(η6-Benzene)dichlorido[dicyclohexyl(4-isopropylphenyl)phosphane-κP]ruthenium(II)","IUCrData","2026","11","9","","","10.1107/S2414314626008710","","","0.71073","MoKα","","0.05","0.0367","","","0.0772","0.0851","","","","","","1.034","","","","has coordinates,has disorder","306855","2026-09-03","21:21:50",""
"1577481","13.7569","0.0004","26.2508","0.0008","7.147","0.0002","90","","90","","90","","2580.99","0.13","150","","150","","","","","","","","","4","A e a 2","A 2 -2ab","41","6,7-Dichloro-2-methyl-3-phenylquinoxaline","6,7-Dichloro-2-methyl-3-phenylquinoxaline","","- C15 H10 Cl2 N2 -","- C15 H10 Cl2 N2 -","- C120 H80 Cl16 N16 -","8","1","ZL4103","Jones, Myron W.; Aldridge, Katelyn M.; Crundwell, Guy","6,7-Dichloro-2-methyl-3-phenylquinoxaline","IUCrData","2026","11","9","","","10.1107/S2414314626008928","","","1.54178","CuKα","","0.0304","0.0288","","","0.0766","0.0783","","","","","","1.112","","","","has coordinates","306856","2026-09-03","21:21:59",""
"1577482","15.3817","0.0004","13.9338","0.0004","6.005","0.0002","90","","91.654","0.001","90","","1286.49","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(4-Bromophenyl)-1-(quinolin-2-yl)methanimine","","- C16 H11 Br N2 -","- C16 H11 Br N2 -","- C64 H44 Br4 N8 -","4","1","BT4206","Zamisa, Sizwe J.; Adeleke, Adesola A.; Omondi, Bernard; Olatunji, Olatunde S.","(E)-N-(4-Bromophenyl)-1-(quinolin-2-yl)methanimine","IUCrData","2026","11","9","","","10.1107/S2414314626008953","","x-ray","1.54178","CuKα","","0.0244","0.0232","","","0.0609","0.0621","","","","","","1.054","","","","has coordinates","306857","2026-09-03","21:22:13",""
"1577483","7.075","0.0003","9.895","0.0004","13.6434","0.0005","102.614","0.002","90.123","0.002","90.613","0.002","932.02","0.06","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","1,3,5-Triaza-7-phosphaadamantan-1-ium nitrate","","- C6 H13 N4 O3 P -","- C6 H13 N4 O3 P -","- C24 H52 N16 O12 P4 -","4","2","BV4062","Adeleke, Adesola A.; Zamisa, Sizwe J.; Omondi, Bernard; Olatunji, Olatunde S.","1,3,5-Triaza-7-phosphaadamantan-1-ium nitrate","IUCrData","2026","11","9","","","10.1107/S2414314626009296","","","0.71073","MoKα","","0.0353","0.0339","","","0.0983","0.0997","","","","","","1.119","","","","has coordinates","306879","2026-09-11","21:23:59",""
"1577484","9.9586","0.0004","21.0209","0.0009","7.9204","0.0003","90","","99.126","0.002","90","","1637.06","0.11","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Cyclopropyl-1-[(4-methylbenzene)sulfonyl]indole-2-carbaldehyde","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C76 H68 N4 O12 S4 -","4","1","BX4042","Avula, Veeranjaneyulu; Keerthana V.K.,; Yash, N.D.; Umamaheshwar S.,; Govindappa, Nagendra; Muthukumaran, Jayaraman; Arumugam, Kuppuswamy; Surya Prakash Rao H.,","5-Cyclopropyl-1-[(4-methylbenzene)sulfonyl]indole-2-carbaldehyde","IUCrData","2026","11","9","","","10.1107/S2414314626009272","","","0.71073","MoKα","","0.1035","0.0652","","","0.1627","0.1839","","","","","","1.062","","","","has coordinates","306887","2026-09-15","21:32:59",""
"1577487","7.5711","0.0003","7.9451","0.0003","12.3798","0.0005","88.942","0.002","83.518","0.002","79.959","0.002","728.59","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(pyridinium) tetrachloridozincate(II)","","- C10 H12 Cl4 N2 Zn -","- C10 H12 Cl4 N2 Zn -","- C20 H24 Cl8 N4 Zn2 -","2","1","BV4063","Reuter, Hans","Bis(pyridinium) tetrachloridozincate(II), [Hpy]2[ZnCl4]","IUCrData","2026","11","9","","","10.1107/S241431462601000X","","","0.71073","MoKα","","0.0175","0.0157","","","0.0406","0.0414","","","","","","1.066","","","","has coordinates","306934","2026-09-30","21:36:42",""
"1577488","14.787","0.005","6.053","0.005","9.954","0.005","90","","90.448","0.005","90","","890.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Naphthamide","Naphthalene-1-carboxamide","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","HB4572","Bensegueni, Mohamed Abdellatif; Ghallab, Rochdi; Gheries, Dorsaf; Seghiri, Asma; Nouail, Lamis","1-Naphthamide","IUCrData","2026","11","9","","","10.1107/S2414314626009892","","x-ray","0.71073","MoKα","","0.1121","0.0706","","","0.177","0.2069","","","","","","1.051","","","","has coordinates","306935","2026-09-30","21:36:49",""
"1577489","16.364","0.0005","8.033","0.0002","16.4846","0.0005","90","","112.458","0.002","90","","2002.59","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pyridinium tribromidostannate(II)","","- C5 H6 Br3 N Sn -","- C5 H6 Br3 N Sn -","- C40 H48 Br24 N8 Sn8 -","8","2","WM4260","Henkel, Felix; Reuter, Hans","Pyridinium tribromidostannate(II)","IUCrData","2026","11","10","","","10.1107/S2414314626010187","","","0.71073","MoKα","","0.03","0.0194","","","0.037","0.0404","","","","","","1.06","","","","has coordinates","306944","2026-10-02","21:22:54",""
"1577491","3.9321","0.0004","20.274","0.002","8.2685","0.0009","90","","99.602","0.002","90","","649.93","0.12","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dibromidobis(2-methylpyrazine)copper(II)","<i>catena</i>-Poly[[bis(2-methylpyrazine-κ<i>N</i>^4^)copper(II)]-di-μ-\ bromido]","","- C10 H12 Br2 Cu N4 -","- C10 H12 Br2 Cu N4 -","- C20 H24 Br4 Cu2 N8 -","2","0.5","BH4105","Butcher, Robert T.; Twamley, Brendan; Turnbull, Mark M.","catena-Poly[[bis(2-methylpyrazine-κN 4)copper(II)]-di-μ-bromido]","IUCrData","2026","11","10","","","10.1107/S2414314626010758","","","0.71073","MoKα","","0.0323","0.0289","","","0.0726","0.074","","","","","","1.082","","","","has coordinates","306994","2026-10-23","21:23:45",""
"1577492","7.1601","0.0003","11.9574","0.0004","15.2293","0.0005","90","","103.519","0.002","90","","1267.75","0.08","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Diaquabis(pyridin-2-yl thiophen-2-yl ketone-κ^2^<i>N</i>,<i>O</i>)zinc(II) bis(tetrafluoridoborate)","","- C20 H18 B2 F8 N2 O4 S2 Zn -","- C20 H18 B2 F8 N2 O4 S2 Zn -","- C40 H36 B4 F16 N4 O8 S4 Zn2 -","2","0.5","WM4262","Westcott, Barry; Oliver, Allen G.","trans-Diaquabis(pyridin-2-yl thiophen-2-yl ketone-κ2 N,O)zinc(II) bis(tetrafluoridoborate)","IUCrData","2026","11","10","","","10.1107/S2414314626010369","","x-ray","1.54178","CuKα","","0.0352","0.033","","","0.0831","0.0846","","","","","","1.052","","","","has coordinates","306995","2026-10-23","21:24:02",""
"1577493","22.3929","0.0008","10.2987","0.0003","44.7559","0.0016","90","","98.837","0.001","90","","10199","0.6","273","2","273","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","Bis[(2-bromophenyl)dicyclohexylphosphane-κ^2^<i>Br</i>,<i>P</i>]dichloridoruthenium(II) methanol 1.6-solvate","","- C37.6 H58.4 Br2 Cl2 O1.6 P2 Ru -","- C37.6 H58.4 Br2 Cl2 O1.6 P2 Ru -","- C376 H584 Br20 Cl20 O16 P20 Ru10 -","10","2.5","BH4108","Kelani, Monsuru T.; Hosten, Eric C.; Muller, Alfred; Lammertsma, Koop","Bis[(2-bromophenyl)dicyclohexylphosphane-κ2 Br,P]dichloridoruthenium(II) methanol 1.6-solvate","IUCrData","2026","11","10","","","10.1107/S2414314626010862","","","0.71073","MoKα","","0.1242","0.0564","","","0.102","0.1268","","","","","","1.015","","","","has coordinates","306996","2026-10-23","21:24:20",""