# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T13:44:33+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 Cluster Science') 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
"1534575","13.054","0.003","17.729","0.004","20.998","0.004","90","","93.5","0.03","90","","4850.6","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Na13 (H3 Cu4 (H2 O)2 (Cu W9 O34)2) (H2 O)42","","- Cu6 H91 Na13 O112 W18 -","- Cu6 Na13 O112 W18 -","- Cu12 Na26 O224 W36 -","2","0.5","","Limanski, E.M.; Piepenbrink, M.; Droste, E.; Burgemeister, K.; Krebs, B.","Syntheses and X-ray characterization of novel (M4 (H2 O)2 (X W9 O34)2)(n-) (M = Cu(II), X = Cu(II) and M = Fe(III), X = Fe(III)) polytungstates","Journal of Cluster Science","2002","13","","369","379","10.1023/A:1020551016077","","","","","","","","","","","","","","","","","","","","","has coordinates","177094","2020-10-21","18:00:00",""
"1534579","12.316","0.002","13.716","0.003","14.925","0.003","99.36","0.03","104.21","0.03","101.55","0.03","2334.3","","","","","","","","","","","","","6","P -1","-P 1","2","","Na9 K (Fe4 (H2 O)2 (Fe W9 O34)2) (H2 O)34","","- Fe6 H72 K Na9 O104 W18 -","- Fe6 K Na9.02 O104.02 W18 -","- Fe6 K Na9.02 O104.02 W18 -","1","0.5","","Limanski, E.M.; Piepenbrink, M.; Burgemeister, K.; Droste, E.; Krebs, B.","Syntheses and X-ray characterization of novel (M4 (H2 O)2 (X W9 O34)2)(n-) (M = Cu(II), X = Cu(II) and M = Fe(III), X = Fe(III)) polytungstates","Journal of Cluster Science","2002","13","","369","379","10.1023/A:1020551016077","","","","","","","","","","","","","","","","","","","","","has coordinates","177094","2020-10-21","18:00:00",""
"1534686","12.1282","","38.2302","","12.354","","90","","115.047","","90","","5189.43","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K10 (H2 V16 O38) (H2 O)13","","- H28 K10 O51 V16 -","- K10 O51 V16 -","- K40 O204 V64 -","4","1","","Long, D.-L.; Orr, D.; Seeber, G; Koegerler, P.; Farrugia, L.J.; Cronin, L.","The Missing Link in Low Nuclearity Pure Polyoxovanadate Clusters: Preliminary Synthesis and Structural Analysis of a New {V16} Cluster and Related Products","Journal of Cluster Science","2003","14","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","161626","2020-10-21","18:00:00",""
"1534690","12.7854","","20.2812","","13.2386","","90","","115.34","","90","","3102.52","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","K11 (V18 O42 (S O4)) (H2 O)20","","- H40 K11 O66 S V18 -","- K11 O66 S V18 -","- K22 O132 S2 V36 -","2","0.5","","Long, D.-L.; Seeber, G; Orr, D.; Koegerler, P.; Farrugia, L.J.; Cronin, L.","The Missing Link in Low Nuclearity Pure Polyoxovanadate Clusters: Preliminary Synthesis and Structural Analysis of a New {V16} Cluster and Related Products","Journal of Cluster Science","2003","14","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535802","20.354","","11.8042","","13.9355","","90","","131.134","","90","","2521.76","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Rb3 (W8 S8 O8 (O H)8 (H3 W O6)) (H2 O)13","","- H37 O35 Rb3 S8 W9 -","- O35 Rb3 S8 W9 -","- O70 Rb6 S16 W18 -","2","0.25","","Cadot, E.; Marrot, J.; Secheresse, F.","Synthesis, structure and properties of the cyclic mixed valence oxothiotungstate (W8 S8 O8 (O H)8 (H3 W O6))(3-)","Journal of Cluster Science","2002","13","","303","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","163270","2020-10-21","18:00:00",""
"1536339","12.9746","","20.6879","","28.2091","","69.549","","89.376","","86.523","","7081.08","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)16 (U P4 W34 O122) (H2 O)49.293","","- O171.293 P4 U W34 -","- O171.293 P4 U W34 -","- O342.586 P8 U2 W68 -","2","1","","Ostuni, A.; Bachman, R.E.; Pope, M.T.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536343","14.623","","22.5243","","24.5558","","95.728","","102.622","","100.151","","7688.04","","","","","","","","","","","","","6","P -1","-P 1","2","","K21.08 (U P4 W34 O124.54) (H2 O)43.11","","- H86.22 K21.08 O167.65 P4 U W34 -","- K21.079 O167.648 P4 U W34 -","- K42.158 O335.296 P8 U2 W68 -","2","1","","Ostuni, A.; Bachman, R.E.; Pope, M.T.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536347","24.8565","","21.2375","","29.4053","","90","","99.974","","90","","15288.2","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","K12.68 Th P4 W34 O120.34 (H2 O)52.205","","- H104.41 K12.68 O172.545 P4 Th W34 -","- K12.68 O172.545 P4 Th W34 -","- K50.72 O690.18 P16 Th4 W136 -","4","1","","Ostuni, A.; Pope, M.T.; Bachman, R.E.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536351","18.699","","19.5392","","24.4152","","111.08","","107.282","","96.51","","7701.07","","","","","","","","","","","","","6","P -1","-P 1","2","","Ce K10.63 P4 W34 O118.815 (H2 O)62.355","","- Ce H124.71 K10.63 O181.17 P4 W34 -","- Ce K10.63 O181.17 P4 W34 -","- Ce2 K21.26 O362.34 P8 W68 -","2","1","","Ostuni, A.; Pope, M.T.; Bachman, R.E.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536354","12.782","","24.1059","","24.3731","","82.159","","88.378","","80.976","","7347.4","","","","","","","","","","","","","6","P -1","-P 1","2","","K11.164 U P4 W34 O119.582 (H2 O)22.418","","- H44.836 K11.164 O142 P4 U W34 -","- K11.165 O142 P4 U W34 -","- K22.33 O284 P8 U2 W68 -","2","1","","Ostuni, A.; Bachman, R.E.; Pope, M.T.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536606","16.5719","","14.6189","","21.2528","","90","","111.677","","90","","4784.65","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na14 (Na2 (U O2)2 (Si W9 O34)2) (H2 O)38","","- H76 Na16 O110 Si2 U2 W18 -","- Na15.4 O109 Si2 U2 W18 -","- Na30.8 O218 Si4 U4 W36 -","2","0.5","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164382","2020-10-21","18:00:00",""
"1536609","40.1747","","18.2584","","18.0817","","90","","90","","90","","13263.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)17 ((U O2)3 (H2 O)4 (As3 W26 O94)) (H2 O)43","","- As3 O147 U3 W26 -","- As3 O147 U3 W26 -","- As12 O588 U12 W104 -","4","0.5","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164386","2020-10-21","18:00:00",""
"1536612","54.848","","80.809","","20.2874","","90","","90","","90","","89918.1","","","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","(C (N H2)3)18 (Na (U O2)3 (O H) (H2 O)6 (As4 W40 O140 (W O))) (H2 O)25","","- C12.05 As4 N35.95 Na O179 U3 W41 -","- C12.05 As4 N35.95 Na O179 U3 W41 -","- C192.8 As64 N575.2 Na16 O2864 U48 W656 -","16","1","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536616","26.5285","","26.5285","","15.0463","","90","","90","","90","","10589","","","","","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Li18 Na4 ((Na (H2 O))4 (U O2)4 (O H)2 (Si W10 O36)4) (H2 O)58.92","","- Na8 O216.92 Si4 U4 W40 -","- Na8 O216.92 Si4 U4 W40 -","- Na16 O433.84 Si8 U8 W80 -","2","0.125","","Kim Kee-Chan; Pope, M.T.; Gaunt, A.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164396","2020-10-21","18:00:00",""
"1536619","24.18","","31.696","","58.012","","90","","90","","90","","44460.9","","","","","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Na14 K8 ((K (H2 O))4 (U O2)4 (O H)2 (Si W10 O36)4) (H2 O)62","","- K12 Na2 O220 Si4 U4 W40 -","- K12 Na2 O220 Si4 U4 W40 -","- K96 Na16 O1760 Si32 U32 W320 -","8","0.25","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164401","2020-10-21","18:00:00",""
"1536743","13.973","","22.656","","31.252","","90","","90","","90","","9893.52","","","","","","","","","","","","","6","P n m m :2","-P 2c 2bc","59","","Na25 (Ce (H2 O)5 As4 W40 O140) (H2 O)63","","- As4 Ce H136 Na25 O208 W40 -","- As4 Ce Na25 O203 W40 -","- As8 Ce2 Na50 O406 W80 -","2","0.25","","Xue Ganglin; Vaissermann, J.; Gouzerh, P.","Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and structural characterization of a novel heteropolyoxotungstate based on alpha - (Sb W9 O33)(9-) units","Journal of Cluster Science","2002","13","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536746","18.908","","20.032","","28.653","","86.95","","75.68","","67.52","","9706.13","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4)19 ((Sb W9 O33)4 (W O2 (H2 O))2 Ce3 (H2 O)8 (Sb4 O4)) (H2 O)48","","- Ce3 N5.66 O163.185 Sb8 W38 -","- Ce3 N5.66 O163.185 Sb8 W38 -","- Ce6 N11.32 O326.37 Sb16 W76 -","2","1","","Xue Ganglin; Vaissermann, J.; Gouzerh, P.","Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and structural characterization of a novel heteropolyoxotungstate based on alpha - (Sb W9 O33)(9-) units","Journal of Cluster Science","2002","13","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","164584","2020-10-21","18:00:00",""
"1536748","11.504","","15.245","","17.647","","90","","90","","90","","3094.9","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Na9 (Ce (W5 O18)2) (Na Cl) (H2 O)30","","- Ce Cl Na7 O65 W10 -","- Ce Cl Na7 O65 W10 -","- Ce2 Cl2 Na14 O130 W20 -","2","0.25","","Xue Ganglin; Vaissermann, J.; Gouzerh, P.","Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and structural characterization of a novel heteropolyoxotungstate based on alpha - (Sb W9 O33)(9-) units","Journal of Cluster Science","2002","13","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536804","16.7886","","18.4309","","24.4995","","90","","99.58","","90","","7475.13","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N H4)4 Na2 (Mo36 O108 (N H2 O H)2 (O H)6 (H2 O)12) (H2 O)35","","- H122 Mo36 N6 Na2 O163 -","- Mo36 N6 Na2 O163 -","- Mo72 N12 Na4 O326 -","2","0.5","","Yang, W.; Lu, C.; Zhang, Q.; Zhan, X.; Yu, Y.; Liu, J.","A new member of giant polyoxomolybdate containing bridging hydroxylamine moieties: synthesis and crystal structure of (N H4)4 Na2 (Mo36(VI) O108 (N H2 O H)2 (O H)6 (H2 O)12).35H2 O","Journal of Cluster Science","2003","14","","391","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536902","12.3863","","12.8934","","31.7285","","84.2","","81.23","","61.65","","4404.83","","","","","","","","","","","","","7","P -1","-P 1","2","","La (C H3 C O O) (H2 O)2 (P2 W17 O61) O18 K7.5","","- C2 H7 K7.5 La O83 P2 W17 -","- C2 K7.5 La O83 P2 W17 -","- C4 K15 La2 O166 P4 W34 -","2","1","","Kortz, U.","Rare-Earth Substituted Polyoxoanions: [{La (C H3 C O O) (H2 O)2(a2-P2 W17 O61)}2]16- and [{Nd (H2 O)3 (a2-P2 W17 O61)}2]14-","Journal of Cluster Science","2003","14","","205","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536905","17.503","","23.7842","","19.1869","","90","","100.661","","90","","7849.54","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Nd (H2 O)3 (P2 W17 O61))2 K4 Nd2.5 O55","","- H12 K4 Nd4.5 O183 P4 W34 -","- K4 Nd4.5 O183 P4 W34 -","- K8 Nd9 O366 P8 W68 -","2","0.5","","Kortz, U.","Rare-Earth Substituted Polyoxoanions: [{La (C H3 C O O) (H2 O)2(a2-P2 W17 O61)}2]16- and [{Nd (H2 O)3 (a2-P2 W17 O61)}2]14-","Journal of Cluster Science","2003","14","","205","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537023","10.6513","","10.6513","","10.6513","","90","","90","","90","","1208.39","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","K3 (V Mo12 O40) (H2 O)19","","- H38 K3 Mo12 O59 V -","- K3 Mo12 O59.24 V -","- K3 Mo12 O59.24 V -","1","0.0208333","","Zhang, Q.-Z.; Lu, C.-Z.; Liu, J.-H.; Wu, C.-D.; Yu, Y.-Q.; Yang, W.-B.; Yan, Y.; He, X.","Synthesis and structure of two Keggin-type heteropolyanions: [V Mo12 O40]n(3n-) (1) and [H3 P Mo(V) Mo(VI)11 O40]1- (2)","Journal of Cluster Science","2003","14","","381","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537027","13.9669","","13.9669","","42.0075","","90","","90","","120","","7096.72","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Ni (H2 O)6) (H3 P Mo12 O40)2 (H2 O)30","","- H78 Mo24 Ni O116 P2 -","- Mo24 Ni O116 P2 -","- Mo72 Ni3 O348 P6 -","3","0.166667","","Zhang, Q.-Z.; Lu, C.-Z.; Yang, W.-B.; Wu, C.-D.; Yu, Y.-Q.; Liu, J.-H.; He, X.; Yan, Y.","Synthesis and structure of two Keggin-type heteropolyanions: [V Mo12 O40]n(3n-) (1) and [H3 P Mo(V)Mo(VI)11 O40]1- (2)","Journal of Cluster Science","2003","14","","381","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541424","17.738","","15.596","","10.357","","90","","90","","90","","2865.18","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Ru (C O)4)4 (Pt (C O))2","","- C18 O18 Pt2 Ru4 -","- C18 O18 Pt2 Ru4 -","- C72 O72 Pt8 Ru16 -","4","1","","Antonucci, V.; Arico, A.S.; Marchetti, F.; Calderazzo, F.; Labella, L.","A new polymorph of the heteronuclear cluster Ru4 Pt2 (C O)18","Journal of Cluster Science","2001","12","","293","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","172752","2020-10-21","18:00:00",""
"1541684","9.127","","11.672","","17.492","","90","","90.64","","90","","1863.31","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rh4 (C O)12","","- C12 O12 Rh4 -","- C12 O12 Rh4 -","- C48 O48 Rh16 -","4","1","","Farrugia, L.J.","Structural redetermination of Rh4 (C O)12 at 293 and 173K and analysis of the thermal motion in relation to the dynamical behaviour","Journal of Cluster Science","2000","11","","39","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","173100","2020-10-21","18:00:00",""