# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T15:35:34+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 'Journal of Cluster Science') AND volume = 14 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
"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",""
"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",""
"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",""