# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-07-13T10:40:21+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 'Inorganic Chemistry') AND volume = 19 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
"1008071","13.967","0.006","8.472","0.004","7.51","0.003","90","","90.54","0.05","90","","888.6","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Uranium(IV) iodide","","- I4 U -","- I4 U -","- I16 U4 -","4","0.5","","Levy, J H; Taylor, J C; Waugh, A B","Crystal Structure of Uranium(IV) Tetraiodide by X-ray and Neutron Diffraction","Inorganic Chemistry","1980","19","","672","674","10.1021/ic50205a019","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4331424","5.493","","5.493","","3.024","","90","","90","","120","","79.019","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Gd Ru3 B2","","- B2 Gd Ru3 -","- B2 Gd Ru3 -","- B2 Gd Ru3 -","1","0.0416667","","Uhl, E.; Sienko, M.J.; Rogl, P.; Hiebl, L.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331425","5.466","","5.466","","3.017","","90","","90","","120","","78.063","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ho Ru3 B2","","- B2 Ho Ru3 -","- B2 Ho Ru3 -","- B2 Ho Ru3 -","1","0.0416667","","Hiebl, K.; Sienko, M.J.; Uhl, E.; Rogl, P.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331427","5.439","","5.439","","3.016","","90","","90","","120","","77.268","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lu Ru3 B2","","- B2 Lu Ru3 -","- B2 Lu Ru3 -","- B2 Lu Ru3 -","1","0.0416667","","Hiebl, K.; Uhl, E.; Sienko, M.J.; Rogl, P.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331428","5.538","","5.538","","3.01","","90","","90","","120","","79.947","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Nd Ru3 B2","","- B2 Nd Ru3 -","- B2 Nd Ru3 -","- B2 Nd Ru3 -","1","0.0416667","","Sienko, M.J.; Uhl, E.; Hiebl, K.; Rogl, P.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331430","5.532","","5.532","","3.015","","90","","90","","120","","79.907","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Pr Ru3 B2","","- B2 Pr Ru3 -","- B2 Pr Ru3 -","- B2 Pr Ru3 -","1","0.0416667","","Rogl, P.; Sienko, M.J.; Uhl, E.; Hiebl, K.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331431","5.528","","5.528","","3.07","","90","","90","","120","","81.247","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ru3 Th B2","","- B2 Ru3 Th -","- B2 Ru3 Th -","- B2 Ru3 Th -","1","0.0416667","","Uhl, E.; Hiebl, K.; Rogl, P.; Sienko, R.J.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331432","5.454","","5.454","","3.003","","90","","90","","120","","77.36","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ru3 Yb B2","","- B2 Ru3 Yb -","- B2 Ru3 Yb -","- B2 Ru3 Yb -","1","0.0416667","","Sienko, R.J.; Hiebl, K.; Rogl, P.; Uhl, E.","Magnetic behavior and structural chemistry of RE Ru3 B2 borides","Inorganic Chemistry","1980","19","","3316","3320","10.1021/ic50213a022","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331451","11.503","","11.382","","6.484","","90","","90","","90","","848.932","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Eu2 (B5 O9 Br)","","- B5 Br Eu2 O9 -","- B5 Br Eu2 O9 -","- B20 Br4 Eu8 O36 -","4","1","","Machida, K.I.; Kasai, N.; Yasuoka, N.; Shiokawa, J.; Adachi, G.Y.","Crystal structure of europium(II) bromoborate","Inorganic Chemistry","1980","19","","3807","3811","10.1021/ic50214a043","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4343600","7.867","","7.963","","18.211","","90","","91.83","","90","","1140.24","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs4 Rh2 (C O3)4 (H2 O)2 (H2 O)6","","- C4 H16 Cs4 O20 Rh2 -","- C4 Cs4 O20 Rh2 -","- C8 Cs8 O40 Rh4 -","2","0.5","","Cotton, F.A.; Felthouse, T.R.","Structural characterization of two tetrakis(mue-carbonato) complexes of dirhodium(II)","Inorganic Chemistry","1980","19","","320","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","141274","2020-10-21","18:00:00",""
"4343601","9.798","","10.753","","12.906","","90","","107.98","","90","","1293.34","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Cs4 Na2 Rh2 (C O3)4 Cl2 (H2 O)8","","- C4 H16 Cl2 Cs4 Na2 O20 Rh2 -","- C4 Cl2 Cs4 Na2 O20 Rh2 -","- C8 Cl4 Cs8 Na4 O40 Rh4 -","2","0.5","","Cotton, F.A.; Felthouse, T.R.","Structural characterization of two tetrakis(mue-carbonato) complexes of dirhodium(II)","Inorganic Chemistry","1980","19","","320","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","141275","2020-10-21","18:00:00",""
"4343633","7.35","","7.35","","6.045","","90","","90","","120","","282.814","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Sc Cl3","","- Cl3 Cs Sc -","- Cl3 Cs Sc -","- Cl6 Cs2 Sc2 -","2","0.0833333","","Poeppelmeier, K.R.; Corbett, J.D.; McMullen, T.P.; Torgeson, D.R.; Barnes, R.G.","Study of the crystal structures and nonstoichiometry in the system Cs3 Sc2 Cl9 - Cs Sc Cl3","Inorganic Chemistry","1980","19","","129","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343746","19.869","","16.2","","13.282","","90","","109.24","","90","","4036.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Se10 (Sb F6)2","","- F12 Sb2 Se10 -","- F12 Sb2 Se10 -","- F96 Sb16 Se80 -","8","2","","Burns, R.C.; Gillespie, R.J.; Chan, W.L.; Slim, D.R.; Sawyer, J.F.; Luk, W.C.","Preparation and Characterization of Se10 (As F6)2, Se10 (Sb F6)2, and Se10 (Al Cl4)2 and Crystal Structure of Se10 (Sb F6)2","Inorganic Chemistry","1980","19","","1432","1439","","","","","","","","","","","","","","","","","","","","","","has coordinates","148618","2020-10-21","18:00:00",""
"4343747","7.536","","13.406","","27.226","","89.02","","91.58","","93.24","","2744.8","","","","","","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","S19 (As F6)2","","- As2 F12 S18.64 -","- As2 F12 S18.64 -","- As8 F48 S74.56 -","4","","","Burns, R.C.; Gillespie, R.J.; Sawyer, J.F.","Preparation and Crystal Structure of S19 (As F6)2 and an ESR and Absorption Spectral Study of Solutions Containing the S19(2+) Cation and Related Systems","Inorganic Chemistry","1980","19","","1423","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343795","29.688","","23.327","","12.794","","90","","90","","90","","8860.25","","","","","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","(N H4)23 (N H4 As4 W40 O140 Co2 (H2 O)2) (H2 O)16","","- As4 Co2 H132 N24 O158 W40 -","- As4 Co2 N24 O158 W40 -","- As8 Co4 N48 O316 W80 -","2","0.25","","Robert, F.; Leyrie, M.; Jeannin, Y.P.; Herve, G.; Teze, A.","Crystal Structure of Ammonium Dicobalto(II)-40-tungstotetraarsenate(III). Allosteric Effects in the Ligand","Inorganic Chemistry","1980","19","","1746","1752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343824","10.921","","7.052","","18.982","","90","","113.05","","90","","1345.18","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Br (C O)6 (B3 H8) Mn2","","- C6 H8 B3 Br Mn2 O6 -","- C6 H8 B3 Br Mn2 O6 -","- C24 H32 B12 Br4 Mn8 O24 -","4","1","","Chen, M.W.; Hoard, L.G.; Gaines, D.F.","Low-Temperature Crystal and Molecular Structure of mue-Bromo-hexacarbonyl(octahydrotriborato(1-))dimanganese Br (C O)6 (B3 H8) Mn2","Inorganic Chemistry","1980","19","","2989","2993","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343861","7.395","","19.417","","16.892","","90","","96.86","","90","","2408.14","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","((N H3)5 Cr (O H) Cr (N H3)4 (O H)) (S2 O6)2 (H2 O)3","","- Cr2 H35 N9 O17 S4 -","- Cr2 H31 N9 O17 S4 -","- Cr8 H124 N36 O68 S16 -","4","1","","Hodgson, D.J.; Pedersen, E.","Structural and Magnetic Characterization of the Chromium(III) Dimer cis-(Hydroxotetraamminechromium(III)-mue-hydroxo-pentaamm nechromium(III)) Dithionate Trihydrate, ((N H3)5 Cr (O H) Cr (N H3)4 (O H)) (S2 O6)2 (H2 O)3","Inorganic Chemistry","1980","19","","3116","3121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343863","22.051","","22.051","","22.051","","90","","90","","90","","10722.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb4 H8 (H2 W12 O40) (H2 O)18","","- O46 Rb3.9999 W12 -","- O46 Rb3.9999 W12 -","- O368 Rb31.9992 W96 -","8","0.0416667","","Jeannin, Y.P.; Launay, J.P.; Sedjadi, S.M.A.","Crystal Molecular Structure of the Six-Electron-Reduced Form of Metatungstate Rb4 H8 (H2 W12 O40) (H2 O)18 Occurrence of a Metal-Metal Bonded Subcluster in a Heteropolyanion Framework","Inorganic Chemistry","1980","19","","2933","2935","","","","","","","","","","","","","","","","","","","","","","has coordinates","151069","2020-10-21","18:00:00",""
"4343882","7.421","","8.626","","9.364","","60.64","","70.88","","70.88","","483.36","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs K Ni (C N)4","","- C4 Cs K N4 Ni -","- C4 Cs K N4 Ni -","- C8 Cs2 K2 N8 Ni2 -","2","1","","Musselman, R.L.; Stecher, L.C.; Watkins, S.","Crystal Structure and Spectra of Cesium Potassium Tetracyanonickelate(2-)","Inorganic Chemistry","1980","19","","3400","3403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343900","15.693","","9.235","","18.218","","90","","125.21","","90","","2157.19","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Fe2 (Mo O4)3","","- Fe2 Mo3 O12 -","- Fe2 Mo3 O12 -","- Fe16 Mo24 O96 -","8","4","","Rapposch, M.H.; Anderson, J.B.; Kostiner, E.","Crystal structure of ferric molybdate, Fe2 (Mo O4)3","Inorganic Chemistry","1980","19","","3531","3539","","","","","","","","","","","","","","","","","","","","","","has coordinates","151519","2020-10-21","18:00:00",""
"4343901","7.619","","24.706","","6.928","","90","","91.06","","90","","1303.87","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","U O2 (O C (N H2)2)3 S O4","","- C3 H12 N6 O9 S U -","- C3 H12 N6 O9 S U -","- C12 H48 N24 O36 S4 U4 -","4","1","","Ruben, H.; Spencer, B.; Templeton, D.H.","Structure of Tris(urea)dioxouranium(VI) Sulfate, U O2 (O C (N H2)2)3 S O4","Inorganic Chemistry","1980","19","","776","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344266","8.933","","10.723","","6.664","","78.86","","77.92","","87.91","","612.433","","","","","","","","","","","","","4","P -1","-P 1","2","","(La (N O3)3 (H2 O)5) (H2 O)","","- H12 La N3 O15 -","- La N3 O15 -","- La2 N6 O30 -","2","1","","Eriksson, B.; Valkonen, J.; Larsson, L.O.; Niinisto, L.","Crystal and Molecular Structure of the Undecacoordinate Complex Pentaaquatris(nitrato)lanthanum(III) Hydrate","Inorganic Chemistry","1980","19","","1207","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344291","9.5032","","5.9375","","15.3132","","90","","110.418","","90","","809.765","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K2 Se S2 O6","","- K2 O6 S2 Se -","- K2 O6 S2 Se -","- K8 O24 S8 Se4 -","4","1","","Foust, A.S.; Janickis, V.","The Selenotrithionate Dianion: Crystal and Molecular Structure of K2 Se S2 O6","Inorganic Chemistry","1980","19","","1063","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344292","5.6687","","18.6704","","9.5317","","90","","90.783","","90","","1008.71","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 Se S3 O6 (H2 O)","","- H2 K2 O7 S3 Se -","- K2 O7 S3 Se -","- K8 O28 S12 Se4 -","4","1","","Foust, A.S.; Maroy, K.; Janickis, V.","The Selenotetrathionate Dianion: Preparation and X-ray Structures of K2 Se S3 O6 * (H2 O) and (Co (en)2 Cl2)2 Se S3 O6","Inorganic Chemistry","1980","19","","1040","1043","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344304","11.007","","11.007","","11.894","","90","","90","","120","","1247.95","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Cs Nb6 I11","","- Cs I11 Nb6 -","- Cs I11 Nb6 -","- Cs2 I22 Nb12 -","2","0.166667","","Imoto, H.; Corbett, J.D.","A More Reduced Nb6 I8 Cluster. Synthesis and Structure of Cs Nb6 I11 and Its Hydride Cs Nb6 I11 H","Inorganic Chemistry","1980","19","","1241","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344308","22.216","","13.323","","6.6236","","90","","90.15","","90","","1960.47","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Zr12 Al4 Cl51","","- Cl36 Zr12 -","- Cl36 Zr12 -","- Cl36 Zr12 -","1","0.125","","Kleppinger, J.; Wrazel, J.; Calabrese, J.C.; Larsen, E.M.","Preparation and Structure of a Reduced-State Zirconium Cluster Containing Triangular (Zr3 Cl6) Units","Inorganic Chemistry","1980","19","","3172","3175","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"4344335","4.596","","13.625","","5.824","","90","","98.8","","90","","360.409","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sn (H P O4)","","- H O4 P Sn -","- O4 P Sn -","- O16 P4 Sn4 -","4","1","","McDonald, R.C.; Eriks, K.","Crystallographic studies of tin(II) compounds. 2. Structures of tin(II) hydrogen phosphate and tin(II) phosphite, Sn H P O4 and Sn H P O3","Inorganic Chemistry","1980","19","","1237","1241","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344336","4.685","","12.296","","6.165","","90","","99.7","","90","","350.068","","","","","","","","","","","","","4","I 1 c 1","I -2yc","9","","Sn H P O3","","- H O3 P Sn -","- O3 P Sn -","- O12 P4 Sn4 -","4","1","","McDonald, R.C.; Eriks, K.","Crystallographic Studies of Tin(II) Compounds. 2. Structures of Tin(II) Hydrogen Phosphate and Tin(II) Phosphite, Sn H P O4 and Sn H P O3","Inorganic Chemistry","1980","19","","1237","1241","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9012511","7.536","","9.473","","3.576","","81.9","","103.77","","108.09","","235.071","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","Wheatleyite","- C4 H4 Cu Na2 O10 -","- C4 H4 Cu Na2 O10 -","- C4 H4 Cu Na2 O10 -","1","0.5","","Gleizes, A.; Maury, F.; Galy, J.","Crystal structure and magnetism of solum bis(oxalato)cuprate(II) dihydrate, Na2Cu(C2O4)2*2H2O. A deductive proposal for the structure of copper oxalate, CuC2O4*xH2O (0 < x < 1)","Inorganic Chemistry","1980","19","","2074","2078","10.1021/ic50209a048","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""