# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-06-25T23:38:04+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 = 17 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
"4343730","7.649","","44.44","","7.139","","90","","90","","91.3","","2426.07","","","","","","","","","","","","","2","I 1 1 2/b","-I 2b","15","","Sm6 Br13","","- Br13 Sm6 -","- Br13 Sm6 -","- Br52 Sm24 -","4","0.5","","Baernighausen, H.; Haschke, J.M.","Compositions and crystal structures of the intermediate phases in the samarium-bromine system","Inorganic Chemistry","1978","17","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343731","7.652","","81.62","","7.13","","90","","90.19","","90","","4453.06","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Sm11 Br24","","- Br24 Sm11 -","- Br24 Sm11 -","- Br96 Sm44 -","4","1","","Baernighausen, H.; Haschke, J.M.","Compositions and crystal structures of the intermediate phases in the samarium-bromine system","Inorganic Chemistry","1978","17","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343732","7.652","","37.21","","7.121","","90","","90.26","","90","","2027.55","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Sm5 Br11","","- Br11 Sm5 -","- Br11 Sm5 -","- Br44 Sm20 -","4","1","","Baernighausen, H.; Haschke, J.M.","Compositions and crystal structures of the intermediate phases in the samarium-bromine system","Inorganic Chemistry","1978","17","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","148431","2020-10-21","18:00:00",""
"4343749","5.7699","","5.7699","","20.799","","90","","90","","120","","599.666","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Ba3 Re1.96 O9","","- Ba3 O9 Re1.96 -","- Ba3 O9 Re1.961 -","- Ba9 O27 Re5.883 -","3","0.0833333","","Calvo, C.; Ng, H.N.; Chamberland, B.L.","Preparation and structure of a ternary oxide of barium and rhenium, Ba3 Re2-x O9","Inorganic Chemistry","1978","17","","699","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","148632","2020-10-21","18:00:00",""
"4343772","7.141","","10.637","","13.95","","88.41","","91.35","","104.58","","1024.96","","","","","","","","","","","","","4","P -1","-P 1","2","","Ni4 (C O)4 (C3 Cl3)2 Cl2","","- C10 Cl8 Ni4 O4 -","- C10 Cl8 Ni4 O4 -","- C20 Cl16 Ni8 O8 -","2","1","","Frisch, P.D.; Posey, R.G.; Khare, G.P.","Synthesis and crystal structure analysis of (Ni2 (C O)2 (my-C3 Cl3) (my-Cl2, a perchlorinated organonickel cluster containing a novel bridging propenyl ligand","Inorganic Chemistry","1978","17","","402","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","148932","2020-10-21","18:00:00",""
"4343798","7.549","","7.549","","12.39","","90","","90","","90","","706.074","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Hg2.80 (As F6)0.94","","- As0.94 F5.64 Hg2.8 -","- As0.94 F5.64 Hg2.8 -","- As3.76 F22.56 Hg11.2 -","4","0.125","","Schultz, A.J.; Williams, J.M.; Miro, N.D.; MacDiarmid, A.G.; Heeger, A.J.","A neutron diffraction investigation of the crystal and molecular structure of the anisotropic superconductor Hg3 As F6","Inorganic Chemistry","1978","17","","646","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","149917","2020-10-21","18:00:00",""
"4343804","9.339","","9.24","","5.828","","90","","90","","90","","502.912","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Pd F4","","- F4 Pd -","- F4 Pd -","- F32 Pd8 -","8","0.5","","Wright, A.F.; Leary, K.; Fender, B.E.F.; Bartlett, N.","A neutron powder diffraction study of palladium tetrafluoride","Inorganic Chemistry","1978","17","","748","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343817","6.443","","7.693","","6.125","","90","","90","","90","","303.592","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Zn Cl2","","- Cl2 Zn -","- Cl2 Zn -","- Cl8 Zn4 -","4","1","","Brynestad, J.; Yakel, H.L.jr.","Preparation and structure of anhydrous zinc chloride","Inorganic Chemistry","1978","17","","1376","1377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343850","10.632","","8.337","","8.604","","90","","98.09","","90","","755.06","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","B5 H10 Be B H4","","- B6 Be H14 -","- B6 Be H14 -","- B24 Be4 H56 -","4","1","","Gaines, D.F.; Walsh, J.L.; Calabrese, J.C.","Low-temperature crystal and molecular structures of 2-tetrahydroborato-2-berylla-nido-hexaborane(11) and 2,2'-commo-Bis(2-berylla-nido-hexaborane(11))","Inorganic Chemistry","1978","17","","1242","1247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343903","14.379","","16.501","","5.682","","90","","90","","90","","1348.16","","","","","","","","","","","","","3","C c c m","-C 2 2c","66","","Co0.83 (Pt (C2 O4)2) (H2 O)6","","- Co0.828 O13.968 Pt -","- Co0.828 O13.968 Pt -","- Co3.312 O55.872 Pt4 -","4","0.25","","Schultz, A.J.; Underhill, A.E.; Williams, J.M.","Preparation and crystal structure of the new paramagnetic one-dimensional conductor Co0.83 (Pt (C2 O4)2) (H2 O)6","Inorganic Chemistry","1978","17","","1313","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343943","9.838","","10.087","","9.659","","82.77","","88.99","","85.08","","947.372","","","","","","","","","","","","","1","P -1","-P 1","2","","H4 Ru4 (C O)12","","- Ru4 -","- Ru4 -","- Ru8 -","2","1","","Wilson, R.D.; Wu Sumiau; Love, R.A.; Bau, R.","Molecular structures of H4 Ru4 (C O)12 and H4 Ru4 (C O)10 (P Ph3)2","Inorganic Chemistry","1978","17","","1271","1279","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343946","6.308","","6.275","","16.023","","90","","99.97","","90","","624.656","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Xe F As F6","","- As F7 Xe -","- As F7 Xe -","- As4 F28 Xe4 -","4","1","","Zalkin, A.; Ward, D.L.; Biagioni, R.N.; Templeton, D.H.; Bartlett, N.","Crystal structure of (Xe F)(+) (As F6)(-)","Inorganic Chemistry","1978","17","","1318","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344212","13.29","","13.29","","8.981","","90","","90","","120","","1373.74","","","","","","","","","","","","","3","P 3","P 3","143","","Ir4 (C O)12","","- C12 Ir3.93357 O12 -","- C12 Ir3.93357 O12 -","- C36 Ir11.8007 O36 -","3","1","","Churchill, M.R.; Hutchinson, J.L.","Crystal structure of tetrairidium dodecacarbonyl, Ir4 (C O)12. An unpleasant case of disorder","Inorganic Chemistry","1978","17","","3528","3535","","","","","","","","","","","","","","","","","","","","","","has coordinates","161032","2020-10-21","18:00:00",""
"4344213","9.248","","23.01","","29.665","","90","","104.589","","90","","6109.07","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","H2 Os3 Re2 (C O)20","","- C20 H2 O20 Os3 Re2 -","- C20 O20 Os3 Re2 -","- C160 O160 Os24 Re16 -","8","2","","Churchill, M.R.; Hollander, F.J.","Structural studies on polynuclear osmium carbonyl hydrides. 7. Crystal structure and molecular geometry of (mue-H)2 Os3 Re2 (C O)20","Inorganic Chemistry","1978","17","","3546","3552","","","","","","","","","","","","","","","","","","","","","","has coordinates","161033","2020-10-21","18:00:00",""
"4344270","9.299","","7.976","","7.07","","90","","90","","90","","524.374","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","(S2 N) (Sb Cl6)","","- Cl6 N S2 Sb -","- Cl6 N S2 Sb -","- Cl12 N2 S4 Sb2 -","2","0.125","","Faggiani, R.; Gillespie, R.J.; Lock, C.J.L.; Tyrer, J.D.","Preparation, vibrational spectra, and crystal structure of dithionitronium hexachloroantimonate(V), S2 N Sb Cl6","Inorganic Chemistry","1978","17","","2975","2978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344272","6.949","","16.112","","7.737","","90","","108.14","","90","","823.198","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4)4 (Cr2 (C O3)4 (H2 O)2) (H2 O)2","","- C4 H24 Cr2 N4 O16 -","- C4 H20 Cr2 N4 O16 -","- C8 H40 Cr4 N8 O32 -","2","0.5","","Cotton, F.A.; Rice, G.W.","Further Studies of Cr-Cr Bond Lengths in Quadruply Bonded Dinuclear Compounds","Inorganic Chemistry","1978","17","","2004","2009","","","","","","","","","","","","","","","","","","","","","","has coordinates","163759","2020-10-21","18:00:00",""
"4344278","12.127","","6.651","","12.296","","90","","95.75","","90","","986.765","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","((N H3)5 Co S O3) Cl (H2 O)","","- Cl Co H17 N5 O4 S -","- Cl Co H17 N5 O4 S -","- Cl4 Co4 H68 N20 O16 S4 -","4","1","","Elder, R.C.; Heeg, M.J.; Payne, M.D.; Trkula, M.; Deutsch, E.","Trans Effect in Octahedral Complexes. 3. Comparison of Kinetic and Structural Trans Effects Induced by Coordinated Sulfur in Sulfito- and Sulfinatopentaamminecobalt(III) Complexes","Inorganic Chemistry","1978","17","","431","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4344311","7.127","","11.416","","15.379","","90","","119.15","","90","","1092.79","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","((N H3)2 Pt (O H)2 Pt (N H3)2) (C O3) (H2 O)2","","- C H18 N4 O7 Pt2 -","- C H18 N4 O7 Pt2 -","- C4 H72 N16 O28 Pt8 -","4","1","","Lippert, B.; Lock, C.J.L.; Rosenberg, B.; Zvagulis, M.","Hydroxo-bridged platinum(II) complexes. 4. Crystal structure and vibrational spectra of di-mue-hydroxo-bis(diammineplatinum(II carbonate dihydrate, (N H3)2 Pt (O H)2 Pt (N H3)2 C O3 (H2 O)2","Inorganic Chemistry","1978","17","","2971","2974","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344374","11.227","","6.79","","21.186","","90","","90","","90","","1615.04","","","","","","","","","","","","","4","P 21 c a","P -2ac 2a","29","","(U O2 S O4)2 (H2 O)7","","- H14 O19 S2 U2 -","- H14 O19 S2 U2 -","- H56 O76 S8 U8 -","4","1","","Zalkin, A.; Ruben, H.; Templeton, D.H.","Structure of a new uranyl sulfate hydrate, alpha(U O2 S O4)2 (H2 O)7","Inorganic Chemistry","1978","17","","3701","3702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"9013468","8.752","","7.084","","8.629","","90","","93.68","","90","","533.888","","","","120","","","","","","","","Synthetic","2","P 1 21/n 1","-P 2yn","14","","","","- N S -","- N S -","- N16 S16 -","16","4","","LeLucia, M. L.; Coppens, P.","Crystal structure of tetrasulfur tetranitride (S4N4) at 120 K Note: T = 120 K","Inorganic Chemistry","1978","17","","2336","2338","10.1021/ic50186a072","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""