# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:30:57+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 'Inorganica Chimica Acta') AND volume = 357 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
"1533068","5.2294","","10.514","","5.1712","","97.096","","93.521","","96.476","","279.525","","","","","","","","","","","","","5","P -1","-P 1","2","","Hg ((C F3) S O3)","","- C F3 Hg O3 S -","- C F3 Hg O3 S -","- C2 F6 Hg2 O6 S2 -","2","1","","Rosdahl, J.; Persson, I.; Kloo, L.; Stahl, K.","On the solvation of the mercury(I) ion. A structural, vibration spectroscopic and quantum mechanical study","Inorganica Chimica Acta","2004","357","","2624","2634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535603","10.3776","","10.3776","","10.4322","","90","","90","","120","","972.972","","","","","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Zn (N H3)4)2 (Te8 (Re (C N))6)","","- C6 H24 N14 Re6 Te8 Zn2 -","- C6 N14 Re6 Te8 Zn2 -","- C6 N14 Re6 Te8 Zn2 -","1","0.0833333","","Brylev, K.A.; Naumov, N.G.; Sekar, P.; Fedorov, V.E.; Ibers, J.A.","Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)","Inorganica Chimica Acta","2004","357","","728","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","163024","2020-10-21","18:00:00",""
"1535606","20.808","","22.027","","10.3708","","90","","110.958","","90","","4438.86","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Co (N H3)5)2 (Te8 (Re (C N))6) (H2 O)4","","- C6 H38 Co2 N16 O4 Re6 Te8 -","- C6 H30 Co2 N16 O2 Re6 Te8 -","- C24 H120 Co8 N64 O8 Re24 Te32 -","4","0.5","","Brylev, K.A.; Sekar, P.; Fedorov, V.E.; Naumov, N.G.; Ibers, J.A.","Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)","Inorganica Chimica Acta","2004","357","","728","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","163028","2020-10-21","18:00:00",""
"1535608","20.7617","","22.0521","","10.3526","","90","","110.692","","90","","4434.08","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Ni (N H3)5)2 (Te8 (Re (C N))6) (H2 O)4","","- C6 H38 N16 Ni2 O4 Re6 Te8 -","- C6 H30 N16 Ni2 O2 Re6 Te8 -","- C24 H120 N64 Ni8 O8 Re24 Te32 -","4","0.5","","Brylev, K.A.; Fedorov, V.E.; Sekar, P.; Naumov, N.G.; Ibers, J.A.","Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)","Inorganica Chimica Acta","2004","357","","728","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","163031","2020-10-21","18:00:00",""
"1541583","18.145","","9.146","","14.306","","90","","101.54","","90","","2326.15","","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(N (C H3)4)2 ((Cu3 Mo O S3) I3)","","- C8 H24 Cu3 I3 Mo N2 O S3 -","- C8 H24 Cu3 I3 Mo N2 O S3 -","- C32 H96 Cu12 I12 Mo4 N8 O4 S12 -","4","1","","Hou Hongwei; Wie Yong-Li; Zhu Yu; Song Yinglin; Fan Yaoting","Two novel two-dimensional cluster polymers ((N Me4)2 (M O S3 Cu3 (mue2-I)3)) (M= Mo, W): synthesis, crystal structure and interesting optical alternation from self-defocusing to self-focusing","Inorganica Chimica Acta","2004","357","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541585","18.289","","9.186","","14.324","","90","","101.39","","90","","2359.08","","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(N (C H3)4)2 ((W O S3) Cu3 I3)","","- C8 H24 Cu3 I3 N2 O S3 W -","- C8 H24 Cu3 I3 N2 O S3 W -","- C32 H96 Cu12 I12 N8 O4 S12 W4 -","4","1","","Hou Hongwei; Zhu Yu; Song Yinglin; Wie Yong-Li; Fan Yaoting","Two novel two-dimensional cluster polymers ((N Me4)2 (M O S3 Cu3 (mue2-I)3)) (M = Mo, W): synthesis, crystal structure and interesting optical alternation from self-defocusing to self-focusing","Inorganica Chimica Acta","2004","357","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541666","11.641","","8.179","","14.253","","90","","98.48","","90","","1342.22","","","","","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","(Cu (C S (N H2)2)3) Cl (H2 O)","","- C3 H14 Cl Cu N6 O S3 -","- C3 H14 Cl Cu N6 O S3 -","- C12 H56 Cl4 Cu4 N24 O4 S12 -","4","1","","Bombicz, P.; Mutikainen, I.; Krunks, M.; Leskela, T.; Madarasz, J.; Niinisto, L.","Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes","Inorganica Chimica Acta","2004","357","","513","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541667","13.398","","13.398","","13.79","","90","","90","","90","","2475.39","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Cu (C S (N H2)2)3) Cl","","- C3 H12 Cl Cu N6 S3 -","- C3 H12 Cl Cu N6 S3 -","- C24 H96 Cl8 Cu8 N48 S24 -","8","1","","Bombicz, P.; Madarasz, J.; Mutikainen, I.; Leskela, T.; Krunks, M.; Niinisto, L.","Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes","Inorganica Chimica Acta","2004","357","","513","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541668","13.391","","13.391","","13.788","","90","","90","","90","","2472.45","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Cu (C S (N H2)2)3) Br","","- C3 H12 Br Cu N6 S3 -","- C3 H12 Br Cu N6 S3 -","- C24 H96 Br8 Cu8 N48 S24 -","8","1","","Bombicz, P.; Mutikainen, I.; Krunks, M.; Niinisto, L.; Madarasz, J.; Leskela, T.","Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes","Inorganica Chimica Acta","2004","357","","513","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""