# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T05:43:45+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 'Journal of Solid State Chemistry') AND volume = 241 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
"1543544","10.5214","0.0009","10.5369","0.0009","7.4348","0.0006","90","","90","","90","","824.24","0.12","100","2","100","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- Ba H2 O5 Te -","- Ba O5 Te -","- Ba8 O40 Te8 -","8","","","Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc","Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]","Journal of Solid State Chemistry","2016","241","","187","197","10.1016/j.jssc.2016.06.010","","","0.71073","MoKα","","0.0676","0.0374","","","0.0803","0.0879","","","","","","1.164","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543545","7.8271","0.0007","7.9998","0.0007","8.4624","0.0008","90","","106.443","0.002","90","","508.2","0.08","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Barium tetrahydrogenhexaoxotellurate(VI)","","- Ba H4 O6 Te -","- Ba O6 Te -","- Ba4 O24 Te4 -","4","1","","Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc","Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]","Journal of Solid State Chemistry","2016","241","","187","197","10.1016/j.jssc.2016.06.010","","","0.71073","MoKα","","0.0273","0.0244","","","0.0643","0.0659","","","","","","1.094","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543546","5.0437","0.0007","15.199","0.002","8.7291","0.0011","90","","90.419","0.002","90","","669.15","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba H2 O8 Te2 -","- Ba H2 O8 Te2 -","- Ba4 H8 O32 Te8 -","4","1","","Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc","Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]","Journal of Solid State Chemistry","2016","241","","187","197","10.1016/j.jssc.2016.06.010","","","0.71073","MoKα","","0.0376","0.0311","","","0.0588","0.0609","","","","","","1.118","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543547","5.9083","0.0013","5.0195","0.0013","13.538","0.004","90","","92.715","0.017","90","","401.04","0.18","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ba O4 Te -","- Ba O4 Te -","- Ba4 O16 Te4 -","4","1","","Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc","Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]","Journal of Solid State Chemistry","2016","241","","187","197","10.1016/j.jssc.2016.06.010","","","0.71073","MoKα","","0.1211","0.0878","","","0.1825","0.1961","","","","","","1.173","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1561400","7.4389","0.0017","11.574","0.003","10.914","0.002","90","","90","","90","","939.7","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F2 Mn2 O7 Rb2 V2 -","- F2 Mn2 O7 Rb2 V2 -","- F8 Mn8 O28 Rb8 V8 -","4","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F","Journal of Solid State Chemistry","2016","241","","30","37","10.1016/j.jssc.2016.05.008","","","0.71073","MoKα","","0.0405","0.0379","","","0.0971","0.0996","","","","","","1.127","","","","has coordinates","263515","2021-04-01","07:57:22",""
"1561401","7.5615","0.0015","11.745","0.002","11.127","0.002","90","","90","","90","","988.2","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs2 F2 Mn2 O7 V2 -","- Cs2 F2 Mn2 O7 V2 -","- Cs8 F8 Mn8 O28 V8 -","4","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F","Journal of Solid State Chemistry","2016","241","","30","37","10.1016/j.jssc.2016.05.008","","","0.71073","MoKα","","0.033","0.0322","","","0.0802","0.0812","","","","","","1.157","","","","has coordinates","263516","2021-04-01","07:58:19",""
"1561402","13.559","0.002","6.8036","0.0007","10.1408","0.0013","90","","116.16","0.03","90","","839.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F Mn2 O4 V -","- F Mn2 O4 V -","- F8 Mn16 O32 V8 -","8","1","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F","Journal of Solid State Chemistry","2016","241","","30","37","10.1016/j.jssc.2016.05.008","","","0.71073","MoKα","","0.0295","0.0275","","","0.0681","0.0699","","","","","","1.092","","","","has coordinates","263517","2021-04-01","07:59:23",""
"1561403","10.39994","0.00015","10.39994","0.00015","10.39994","0.00015","90","","90","","90","","1124.84","0.03","100","2","100","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Cs Mo O6 Ta -","- Cs Mo O6 Ta -","- Cs8 Mo8 O48 Ta8 -","8","0.0833333","","Fukina, D.G.; Suleimanov, E.V.; Yavetskiy, R.P.; Fukin, G.K.; Boryakov, A.V.; Borisov, E.N.; Borisov, E.V.; Surodin, S.I.; Saharov, N.V.","Single crystal structure and SHG of defect pyrochlores CsBVMoO6 (BV=Nb,Ta)","Journal of Solid State Chemistry","2016","241","","64","69","10.1016/j.jssc.2016.06.011","","","0.71073","MoKα","","0.0393","0.0388","","","0.0967","0.0969","","","","","","1.256","","","","has coordinates,has disorder","263518","2021-04-01","08:09:33",""
"1561404","10.796","0.005","7.74","0.005","25.054","0.005","90","","98.129","0.005","90","","2072.5","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Co N8 O14 S2 -","- C36 H38 Co N8 O14 S2 -","- C72 H76 Co2 N16 O28 S4 -","2","0.5","","Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions","Journal of Solid State Chemistry","2016","241","","86","98","10.1016/j.jssc.2016.05.009","","","0.71069","MoKα","","0.0688","0.0451","","","0.1311","0.1556","","","","","","0.983","","","","has coordinates","263519","2021-04-01","08:14:52",""
"1561405","10.8166","0.0001","7.6265","0.0001","26.3035","0.0003","90","","96.626","0.001","90","","2155.36","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Co N10 O14 S2 -","- C36 H40 Co N10 O14 S2 -","- C72 H80 Co2 N20 O28 S4 -","2","0.5","","Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions","Journal of Solid State Chemistry","2016","241","","86","98","10.1016/j.jssc.2016.05.009","","","0.71073","MoKα","","0.0631","0.0421","","","0.11","0.1223","","","","","","1.024","","","","has coordinates","263519","2021-04-01","08:15:01",""
"1561406","11.069","0.001","7.813","0.001","26.77","0.003","90","","96.92","0.02","90","","2298.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Co N8 O14 S2 -","- C38 H42 Co N8 O14 S2 -","- C76 H84 Co2 N16 O28 S4 -","2","0.5","","Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions","Journal of Solid State Chemistry","2016","241","","86","98","10.1016/j.jssc.2016.05.009","","","0.71073","MoKα","","0.1201","0.0667","","","0.1866","0.2376","","","","","","1.037","","","","has coordinates","263519","2021-04-01","08:15:01",""
"1561407","25.6433","0.0008","13.3904","0.0004","15.1209","0.0005","90","","92.753","0.003","90","","5186.1","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H31 Cd2.5 N5 O16.5 -","- C36 H31 Cd2.5 N5 O16.5 -","- C144 H124 Cd10 N20 O66 -","4","1","","Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian","A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties","Journal of Solid State Chemistry","2016","241","","105","109","10.1016/j.jssc.2016.06.001","","","1.54178","CuKα","","0.0469","0.0434","","","0.1093","0.113","","","","","","1.058","","","","has coordinates","263520","2021-04-01","08:21:17",""
"1561408","25.7374","0.0004","13.3941","0.0002","15.1777","0.0003","90","","92.727","0.002","90","","5226.27","0.15","293.67","0.1","293.67","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H31 Cd2.5 N5 O16.5 -","- C36 H31 Cd2.5 N5 O16.5 -","- C144 H124 Cd10 N20 O66 -","4","1","","Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian","A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties","Journal of Solid State Chemistry","2016","241","","105","109","10.1016/j.jssc.2016.06.001","","","1.54178","CuKα","","0.0355","0.0349","","","0.0966","0.0977","","","","","","0.965","","","","has coordinates","263520","2021-04-01","08:21:17",""
"1561409","13.5468","0.0004","13.5468","0.0004","6.4915","0.0002","90","","90","","90","","1191.29","0.06","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","barium gallium germanium selenide (4/4/1/12)","barium gallium germanium selenide (4/4/1/12)","","- Ba4 Ga4 Ge Se12 -","- Ba4 Ga4 Ge Se12 -","- Ba8 Ga8 Ge2 Se24 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur","Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties","Journal of Solid State Chemistry","2016","241","","131","136","10.1016/j.jssc.2016.06.004","","","0.71073","MoKα","","0.0268","0.0231","","","0.0481","0.0493","","","","","","1.077","","","","has coordinates","263521","2021-04-01","08:30:17",""
"1561410","18.508","0.0017","18.508","0.0017","38.802","0.004","90","","90","","120","","11510.8","1.9","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C11 H3 Cu N0 O5.5 -","- C11 H3 Cu O5.5 -","- C198 H54 Cu18 O99 -","18","0.5","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur","Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties","Journal of Solid State Chemistry","2016","241","","131","136","10.1016/j.jssc.2016.06.004","","","0.71073","MoKα","","0.1082","0.0613","","","0.1663","0.1927","","","","","","1.01","","","","has coordinates","263522","2021-04-01","08:34:02",""
"1561411","6.33571","0.00012","6.8484","0.00017","6.6516","0.0003","90","","104.023","0.002","90","","280.008","0.016","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.","The structural response of gadolinium phosphate to pressure","Journal of Solid State Chemistry","2016","241","","180","186","10.1016/j.jssc.2016.06.009","","","0.71073","MoKα","","0.0518","0.0451","","","0.1016","0.1036","","","","","","1.073","","","","has coordinates","263523","2021-04-01","08:39:31",""
"1561412","6.2979","0.00012","6.80019","0.00019","6.5923","0.0002","90","","103.833","0.002","90","","274.139","0.013","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.","The structural response of gadolinium phosphate to pressure","Journal of Solid State Chemistry","2016","241","","180","186","10.1016/j.jssc.2016.06.009","","","0.71073","MoKα","","0.0524","0.0433","","","0.0958","0.0985","","","","","","1.026","","","","has coordinates","263523","2021-04-01","08:39:32",""
"1561413","6.2683","0.00011","6.7632","0.0002","6.5466","0.0002","90","","103.672","0.002","90","","269.671","0.013","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.","The structural response of gadolinium phosphate to pressure","Journal of Solid State Chemistry","2016","241","","180","186","10.1016/j.jssc.2016.06.009","","","0.71073","MoKα","","0.0502","0.0442","","","0.1079","0.11","","","","","","1.03","","","","has coordinates","263523","2021-04-01","08:39:32",""
"1561414","6.24937","0.00012","6.7397","0.0002","6.5189","0.0002","90","","103.563","0.002","90","","266.912","0.013","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.","The structural response of gadolinium phosphate to pressure","Journal of Solid State Chemistry","2016","241","","180","186","10.1016/j.jssc.2016.06.009","","","0.71073","MoKα","","0.0478","0.0418","","","0.0945","0.0982","","","","","","0.999","","","","has coordinates","263523","2021-04-01","08:39:32",""
"1561415","20.076","0.008","11.329","0.005","23.937","0.01","90","","95.272","0.006","90","","5421","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 N4 O20 Zn2 -","- C58 H48 N4 O20 Zn2 -","- C232 H192 N16 O80 Zn8 -","4","0.5","","Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng","A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions","Journal of Solid State Chemistry","2016","241","","198","204","10.1016/j.jssc.2016.06.017","","","0.71073","MoKα","","0.0958","0.0596","","","0.1561","0.1792","","","","","","1.041","","","","has coordinates","263524","2021-04-01","08:47:08",""
"1561416","10.1759","0.0014","14.504","0.002","17.893","0.003","90","","104.019","0.002","90","","2562.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 N2 O7 Zn -","- C31 H18 N2 O7 Zn -","- C124 H72 N8 O28 Zn4 -","4","1","","Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng","A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions","Journal of Solid State Chemistry","2016","241","","198","204","10.1016/j.jssc.2016.06.017","","","0.71073","MoKα","","0.0529","0.0375","","","0.0922","0.1001","","","","","","1.06","","","","has coordinates","263524","2021-04-01","08:47:09",""
"1561417","32.428","0.005","10.1069","0.0016","25.908","0.004","90","","123.781","0.002","90","","7057.7","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 Cd3 N12 O14 -","- C68 H58 Cd3 N12 O14 -","- C272 H232 Cd12 N48 O56 -","4","0.5","","Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng","A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions","Journal of Solid State Chemistry","2016","241","","198","204","10.1016/j.jssc.2016.06.017","","","0.71073","MoKα","","0.0329","0.0292","","","0.0843","0.0873","","","","","","1.142","","","","has coordinates","263524","2021-04-01","08:47:11",""
"1561418","32.215","0.004","9.9935","0.0014","25.649","0.003","90","","124.5","0.002","90","","6805.2","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H60 N12 O14 Zn3 -","- C68 H60 N12 O14 Zn3 -","- C272 H240 N48 O56 Zn12 -","4","0.5","","Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng","A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions","Journal of Solid State Chemistry","2016","241","","198","204","10.1016/j.jssc.2016.06.017","","","0.71073","MoKα","","0.0547","0.0386","","","0.0998","0.1063","","","","","","0.982","","","","has coordinates","263524","2021-04-01","08:47:21",""