# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-27T04:35:34+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 'Polyhedron') AND volume = 21 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
"1512864","12.1286","0.0013","19.002","0.004","8.1452","0.0009","90","","90.46","0.01","90","","1877.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 Cu O2 -","- C6 H12 Cl2 Cu O2 -","- C48 H96 Cl16 Cu8 O16 -","8","2","","Ari Lehtonen; Raikko Kivekäs; Reijo Sillanpää","The separation of cis- and trans-1,3-cyclohexanediol isomers by copper complexation. Crystal structures of cis-1,3-cyclohexanediol and copper(II) chloride cis-1,3-cyclohexanediol complex","Polyhedron","2002","21","11","1133","1138","10.1016/S0277-5387(02)00934-8","","","0.71069","MoKα","","0.0918","0.0535","","","0.1032","0.1138","","","","","","1.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1528399","6.488","","7.3551","","9.8309","","100.25","","99.212","","110.53","","419.534","","","","","","","","","","","","","5","P -1","-P 1","2","","Cu2 (H C O O)4 ((C H3)2 N C H O)2","","- C10 H18 Cu2 N2 O10 -","- C10 H18 Cu2 N2 O10 -","- C10 H18 Cu2 N2 O10 -","1","0.5","","Cejudo, R.; Alzuet, G.; Liu-Gonzalez, M.; Borras, J.; Sanz-Ruiz, F.","Crystal structure, magnetic and spectroscopic properties of copper(II) formato dimethylformamide: a new tetracarboxylato-bridged copper(II) dimer","Polyhedron","2002","21","","1057","1061","","","","","","","","","","","","","","","","","","","","","","has coordinates","150568","2020-10-21","18:00:00",""
"1532317","28.398","","6.418","","22.397","","90","","123.53","","90","","3402.78","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Co (N H3)5 (N O2)) (Fe (C N)5 (N O)) (H2 O)1.5","","- C5 H18 Co Fe N12 O4.5 -","- C5 H18 Co Fe N12 O4.5 -","- C40 H144 Co8 Fe8 N96 O36 -","8","1","","Soria, D.B.; Chacon Villalba, M.E.; Piro, O.E.; Aymonino, P.J.","Crystal and molecular structure and photoisomerisation of nitropentaamminecobalt(III) nitroprusside sesquihydrate, (Co (N H3)5 N O2) (Fe (C N)5 N O) * 1.5(H2 O)","Polyhedron","2002","21","","1767","1774","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535343","9.888","","13.393","","16.224","","90","","102.987","","90","","2093.59","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Pb9 Rb4 -","- Pb9 Rb4 -","- Pb36 Rb16 -","4","1","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535346","9.843","","15.155","","15.289","","104.51","","97.63","","99.55","","2140.71","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Cs10 K6 Pb36 -","- Cs10 K6 Pb36 -","- Cs10 K6 Pb36 -","1","1","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535349","7.267","","17.282","","11.074","","90","","90","","90","","1390.77","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs3 Na Pb4 -","- Cs3 Na Pb4 -","- Cs12 Na4 Pb16 -","4","0.25","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536589","11.1455","","11.1455","","17.552","","90","","90","","120","","1888.24","","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","((H3 O) (Te3 Cl13)) (S O2)0.5","","- Cl13 H3 O2 S0.5 Te3 -","- Cl13 H3 O1.999 S0.501 Te3 -","- Cl39 H9 O5.997 S1.503 Te9 -","3","0.166667","","Pietikainen, J.; Maaninen, A.; Valkonen, J.; Laitinen, R.S.; Oilunkaniemi, R.","Halogenation of tellurium by S O2 Cl2. Formation and crystal structures of (H3 O) (Te3 Cl13) * 0.5(S O2), ((C4 H8 O)2 H) (Te Cl5) * (C4 H8 O), ((Me2 S O)2 H)2 (Te Cl6) and (Ni (N C C H3)6) (Te2 Cl10)","Polyhedron","2002","21","","1089","1095","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537146","11.6368","","14.2113","","17.6343","","98.876","","105.682","","113.29","","2463.89","","","","","","","","","","","","","7","P -1","-P 1","2","","K Na9 (Mn4 (H2 O)2 (As W9 O34)2) (H2 O)35","","- As2 H74 K Mn4 Na9 O105 W18 -","- As2 Mn4 Na9 O105 W18 -","- As2 Mn4 Na9 O105 W18 -","1","0.5","","Rosu, C.; Crans, D.C.; Weakley, T.J.R.","Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+)","Polyhedron","2002","21","","959","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537150","19.491","","19.491","","25.783","","90","","90","","90","","9794.94","","","","","","","","","","","","","6","I -4","I -4","82","","K Na27 (As4 W40 O140) (H2 O)56","","- As4 H112 K Na27 O196 W40 -","- As4 K Na26 O194 W40 -","- As8 K2 Na52 O388 W80 -","2","0.25","","Rosu, C.; Crans, D.C.; Weakley, T.J.R.","Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+)","Polyhedron","2002","21","","959","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537230","12.666","","12.666","","15.86","","90","","90","","120","","2203.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.23 Ir Cl12.23","","- Bi11.23 Cl12.23 Ir -","- Bi11.25 Cl12.235 Ir -","- Bi33.75 Cl36.705 Ir3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537233","12.612","","12.612","","15.917","","90","","90","","120","","2192.6","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.7 Rh Cl12.7","","- Bi11.7 Cl12.7 Rh -","- Bi11.694 Cl12.72 Rh -","- Bi35.082 Cl38.16 Rh3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537236","12.961","","12.961","","16.416","","90","","90","","120","","2388.22","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.28 Rh Br12.28","","- Bi11.28 Br12.28 Rh -","- Bi11.28 Br12.285 Rh -","- Bi33.84 Br36.855 Rh3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""