# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-20T14:22:37+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 'Inorganics') AND volume = 4 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
"1542398","16.436","0.004","18.645","0.005","19.723","0.005","90","","90","","90","","6044","3","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 Br O U -","- C32 H47 Br O U -","- C256 H376 Br8 O8 U8 -","8","2","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0705","0.0416","","","0.0865","0.1004","","","","","","0.991","","","","has coordinates","175830","2020-10-21","18:00:00",""
"1542399","14.9546","0.0012","17.323","0.002","8.194","0.0007","90","","90","","90","","2122.7","0.3","100","1","100","1","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C20 H30 Br2 U -","- C20 H30 Br2 U -","- C80 H120 Br8 U4 -","4","0.25","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0193","0.018","","","0.0498","0.066","","","","","","1.27","","","","has coordinates","175831","2020-10-21","18:00:00",""
"1542400","11.0688","0.0009","29.295","0.003","8.7573","0.0007","90","","102.609","0.001","90","","2771.2","0.4","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H38 Br2 K O U -","- C24 H38 Br2 K O U -","- C96 H152 Br8 K4 O4 U4 -","4","1","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0535","0.0483","","","0.1229","0.1308","","","","","","1.152","","","","has coordinates","175833","2020-10-21","18:00:00",""
"1542401","8.2013","0.0007","18.6785","0.0017","8.4618","0.0008","90","","118.833","0.001","90","","1135.55","0.18","100","1","100","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H34 Br2 U -","- C22 H34 Br2 U -","- C44 H68 Br4 U2 -","2","0.5","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.029","0.0252","","","0.0663","0.0741","","","","","","1.361","","","","has coordinates","175834","2020-10-21","18:00:00",""
"1543245","16.6233","0.0011","7.5451","0.0003","12.2941","0.0008","90","","110.965","0.005","90","","1439.9","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl2 N Si -","- C14 H15 Cl2 N Si -","- C56 H60 Cl8 N4 Si4 -","4","1","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0535","0.0348","","","0.0771","0.0841","","","","","","1.044","","","","has coordinates","182550","2020-10-21","18:00:00",""
"1543246","14.3173","0.0004","18.2897","0.0008","21.3671","0.0007","90","","101.839","0.002","90","","5476.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O2.5 Si -","- C32 H30 N4 O2.5 Si -","- C256 H240 N32 O20 Si8 -","8","2","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0744","0.0441","","","0.1013","0.1129","","","","","","1.047","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543247","14.5651","0.0007","22.872","0.0008","10.4529","0.0005","90","","124.37","0.003","90","","2874.2","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H35 N5 O Si -","- C34 H35 N5 O Si -","- C136 H140 N20 O4 Si4 -","4","1","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0381","0.0331","","","0.08","0.0831","","","","","","1.052","","","","has coordinates,has disorder","182552","2020-10-21","18:00:00",""
"1543248","9.7135","0.0003","14.9827","0.0004","18.4932","0.0004","82.491","0.001","83.162","0.001","88.353","0.001","2649.1","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N4 O Si -","- C32 H30 N4 O Si -","- C128 H120 N16 O4 Si4 -","4","2","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.079","0.0463","","","0.114","0.1241","","","","","","1.06","","","","has coordinates,has disorder","182553","2020-10-21","18:00:00",""
"1556476","16.2901","0.0009","17.2775","0.0008","19.5167","0.0008","103.329","0.004","101.969","0.004","118.018","0.005","4388.4","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H108 Li N9 O9 Sn4 -","- C81 H108 Li N9 O9 Sn4 -","- C162 H216 Li2 N18 O18 Sn8 -","2","1","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","","0.71073","MoKα","","0.1086","0.0574","","","0.0993","0.1172","","","","","","1.012","","","","has coordinates,has disorder","244959","2020-10-21","18:00:00",""
"1556477","17.2766","0.0004","19.4489","0.0006","28.6285","0.0007","88.874","0.002","85.776","0.002","65.256","0.003","8711.9","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H108 Li N9 O9 Pb Sn3 -","- C81 H108 Li N9 O9 Pb Sn3 -","- C324 H432 Li4 N36 O36 Pb4 Sn12 -","4","2","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","","0.71073","MoKα","","0.0881","0.0531","","","0.092","0.105","","","","","","1.08","","","","has coordinates,has disorder","244960","2020-10-21","18:00:00",""
"1556478","14.4547","0.0003","14.4547","0.0003","8.7666","0.0003","90","","90","","120","","1586.28","0.07","130","2","130","2","","","","","","","","5","P -3","-P 3","147","","","","- C66 H84 N6 O6 Sn2 -","- C66 H84 N6 O6 Sn2 -","- C66 H84 N6 O6 Sn2 -","1","0.166667","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","x-ray","0.71073","MoKα","","0.042","0.0321","","","0.06","0.0621","","","","","","1.056","","","","has coordinates","244961","2020-10-21","18:00:00",""
"1556479","9.3025","0.0003","10.1879","0.0004","15.2499","0.0006","104.318","0.002","106.891","0.002","95.661","0.002","1317.12","0.09","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 Br P2 -","- C32 H27 Br P2 -","- C64 H54 Br2 P4 -","2","1","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0494","0.038","","","0.0806","0.0863","","","","","","1.064","","","","has coordinates","244962","2020-10-21","18:00:00",""
"1556480","12.4695","0.0002","20.0948","0.0003","20.8722","0.0003","90","","90.828","0.001","90","","5229.45","0.14","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 Mg P4 -","- C64 H54 Mg P4 -","- C256 H216 Mg4 P16 -","4","1","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0718","0.0576","","","0.1255","0.1342","","","","","","1.128","","","","has coordinates","244962","2020-10-21","18:00:00",""
"1556481","12.3778","0.0003","17.8753","0.0004","14.3016","0.0003","90","","103.851","0.001","90","","3072.31","0.12","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 Ca2 I2 O12 P2 -","- C56 H88 Ca2 I2 O12 P2 -","- C112 H176 Ca4 I4 O24 P4 -","2","0.5","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0767","0.0701","","","0.1856","0.1914","","","","","","1.062","","","","has coordinates,has disorder","244962","2020-10-21","18:00:00",""
"1556482","11.4609","0.0003","11.5457","0.0003","14.2003","0.0003","90","","90","","90","","1879.04","0.08","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H28 Br2 Ca O5 -","- C12 H28 Br2 Ca O5 -","- C48 H112 Br8 Ca4 O20 -","4","0.5","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0216","0.0185","","","0.0435","0.0452","","","","","","1.099","","","","has coordinates","244962","2020-10-21","18:00:00",""
"1556483","9.2087","0.0004","10.5543","0.0004","12.699","0.0005","71.752","0.001","70.245","0.001","73.105","0.001","1079.35","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 N O2 P S Si -","- C22 H26 N O2 P S Si -","- C44 H52 N2 O4 P2 S2 Si2 -","2","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.0321","0.029","","","0.1137","0.1189","","","","","","1.049","","","","has coordinates","244963","2020-10-21","18:00:00",""
"1556484","11.2841","0.001","15.3705","0.0014","16.8163","0.0015","112.315","0.003","90.34","0.003","110.779","0.003","2489.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H58 K2 N2 O5 P2 S2 Si2 -","- C48 H58 K2 N2 O5 P2 S2 Si2 -","- C96 H116 K4 N4 O10 P4 S4 Si4 -","2","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.0662","0.0408","","","0.0917","0.1028","","","","","","1.001","","","","has coordinates","244963","2020-10-21","18:00:00",""
"1556485","25.265","0.003","18.972","0.002","24.452","0.003","90","","116.547","0.003","90","","10485","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C98 H121 Li8 N4 O10.5 P4 S4 Si4 -","- C98 H121 Li8 N4 O10.5 P4 S4 Si4 -","- C392 H484 Li32 N16 O42 P16 S16 Si16 -","4","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.1004","0.0494","","","0.0947","0.1144","","","","","","1.012","","","","has coordinates,has disorder","244963","2020-10-21","18:00:00",""