# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T13:41:36+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 'Inorganic Chemistry') AND volume = 29 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
"1005045","8.503","0.002","10.284","0.002","5.032","0.001","90","","90","","90","","440","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tricalcium chromium trinitride","","- Ca3 Cr N3 -","- Ca3 Cr N3 -","- Ca12 Cr4 N12 -","4","0.25","","Vennos, D A; Badding, M E; Disalvo, F J","Synthesis, structure, and properties of a new ternary metal Ca3 Cr N3","Inorganic Chemistry","1990","29","","4059","4062","10.1021/ic00345a030","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005046","10.536","0.003","18.27499","0.005","4.799","0.001","90","","90","","90","","924","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Tetratantalum silicon tetratelluride","","- Si Ta4 Te4 -","- Si Ta4 Te4 -","- Si4 Ta16 Te16 -","4","0.5","","Badding, M E; Disalvo, F J","Synthesis and structure of Ta4 Si Te4, a new low-dimensional material","Inorganic Chemistry","1990","29","","3952","3954","10.1021/ic00345a009","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008450","15.8476","0.0002","15.8476","0.0002","15.8476","0.0002","90","","90","","90","","3980.1","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tristrontium cyclo-hexaaluminate","","- Al6 O18 Sr9 -","- Al6 O18 Sr9 -","- Al48 O144 Sr72 -","8","0.333333","","Alonso, J A; Rasines, I; Soubeyroux, J L","Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite","Inorganic Chemistry","1990","29","","4768","4771","10.1021/ic00348a035","","","","","","0.0329","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4343727","12.369","","16.957","","11.736","","108.64","","98.47","","82.42","","2297.5","","","","","","","","","","","","","5","P -1","-P 1","2","","K8.3 Na1.7 (Cu4 (H2 O)2 (P W9 O34)2) (H2 O)24","","- Cu4 K6 O93.9992 P2 W18 -","- Cu4 K6 O93.9992 P2 W18 -","- Cu4 K6 O93.9992 P2 W18 -","1","0.5","","Weakley, T.J.R.; Finke, R.G.","Single-crystal X-ray structures of the polyoxotungstate salts K8.3 Na1.7 (Cu4 (H2 O)2 (P W9 O34)2) * 24(H2 O) and Na14 Cu (Cu4 (H2 O)2 (P2 W15 O56)2) * 53(H2 O)","Inorganic Chemistry","1990","29","","1235","1241","","","","","","","","","","","","","","","","","","","","","","has coordinates","148209","2020-10-21","18:00:00",""
"4343728","13.399","","25.017","","13.339","","104.84","","114.49","","82.61","","3932","","","","","","","","","","","","","5","P -1","-P 1","2","","Na14 Cu (Cu4 (H2 O)2 (P2 W15 O56)2) (H2 O)53","","- Cu5 Na8 O150 P4 W30 -","- Cu5 Na8 O150 P4 W30 -","- Cu5 Na8 O150 P4 W30 -","1","0.5","","Weakley, T.J.R.; Finke, R.G.","Single-crystal X-ray structures of the polyoxotungstate salts K8.3 Na1.7 (Cu4 (H2 O)2 (P W9 O34)2) * 24(H2 O) and Na14 Cu (Cu4 (H2 O)2(P2 W15 O56)2) * 53(H2 O)","Inorganic Chemistry","1990","29","","1235","1241","","","","","","","","","","","","","","","","","","","","","","has coordinates","148210","2020-10-21","18:00:00",""
"4344230","13.651","","13.651","","7.289","","90","","90","","90","","1358.3","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Rb V3 (P2 O7)2 O3.14","","- O17.14 P4 Rb V3 -","- O17.14 P4 Rb V3 -","- O68.56 P16 Rb4 V12 -","4","0.25","","Lii, K.-H.; Lee, C.-S.","Rb V3 P4 O(17+x) (x=0.14): A novel mixed-valence vanadium pyrophosphate","Inorganic Chemistry","1990","29","","3298","3301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344231","10.447","","9.259","","13.529","","90","","105.93","","90","","1258.39","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(S2 N2 Se Cl) Cl","","- Cl2 N2 S2 Se -","- Cl2 N2 S2 Se -","- Cl16 N16 S16 Se8 -","8","2","","Gillespie, R.J.; Kent, J.P.; Sawyer, J.F.","Reactions of S4 N4 and S3 N3 Cl3 with selenium chlorides. The preparations and crystal structures of Se S2 N2 Cl2, (S5 N5) (Se Cl5), and the disordered materials (Se(x) S(3-x) N2 Cl) (Sb Cl6)","Inorganic Chemistry","1990","29","","1251","1259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344232","7","","14.294","","13.486","","90","","97.52","","90","","1337.78","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Se1.44 S1.56 N2 Cl) (Sb Cl6)","","- Cl7 N2 S1.56 Sb Se1.44 -","- Cl7 N2 S1.56 Sb Se1.44 -","- Cl28 N8 S6.24 Sb4 Se5.76 -","4","1","","Gillespie, R.J.; Sawyer, J.F.; Kent, J.P.","Reactions of S4 N4 and S3 N3 Cl3 with selenium chlorides. The preparations and crystal structures of Se S2 N2 Cl2, (S5 N5) (Se Cl5), and the disordered materials (Se(x) S(3-x) N2 Cl) (Sb Cl6)","Inorganic Chemistry","1990","29","","1251","1259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344233","9.237","","10.685","","11.332","","90","","92.65","","90","","1117.24","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N2 S2 Se Cl) (Al Cl4)","","- Al Cl5 N2 S2 Se -","- Al Cl5 N2 S2 Se -","- Al4 Cl20 N8 S8 Se4 -","4","1","","Apblett, A.; Chivers, T.; Fait, J.F.","Preparation of (N S) (Al Cl4) and (N S) (C F3 S O3) and reactions of the thiazyl cation with thiadiazoles and organoselenium halides: X-ray crystal structure of (N2 S2 Se Cl) (Al Cl4)","Inorganic Chemistry","1990","29","","1643","1648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344234","12.174","","14.07","","12.135","","91.07","","99.51","","106.7","","1958.73","","","","","","","","","","","","","3","P -1","-P 1","2","","Bi2 (B10 H10)","","- B10 Bi2 H10 -","- B10 Bi2 -","- B20 Bi4 -","2","1","","Little, J.L.; Whitesell, M.A.; Kester, J.G.; Folting, K.; Todd, L.J.","Synthesis of icosahedral boranes containing bismuth","Inorganic Chemistry","1990","29","","804","808","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344241","7.131","","7.766","","14.479","","90","","97.3","","90","","795.338","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn Ca (H P O3)2 (H2 O)2","","- Ca H6 O8 P2 Zn -","- Ca H5 O8 P2 Zn -","- Ca4 H20 O32 P8 Zn4 -","4","1","","Shieh, M.; Martin, K.J.; Clearfield, A.; Squattrito, P.J.","New low-dimensional zinc compounds containing zincoxygen-phosphorus frameworks: two-layered inorganic phophites and a polymeric organic phosphinate","Inorganic Chemistry","1990","29","","958","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344242","7.728","","7.967","","7.448","","99","","107.93","","100.51","","417.751","","","","","","","","","","","","","5","P -1","-P 1","2","","Zn Sr (H P O3)2 (H2 O)2","","- H6 O8 P2 Sr Zn -","- H2 O8 P2 Sr Zn -","- H4 O16 P4 Sr2 Zn2 -","2","1","","Shieh, M.; Martin, K.J.; Squattrito, P.J.; Clearfield, A.","New low-dimensional zinc compounds containing zincoxygen-phosphorus frameworks: two-layered inorganic phophites and a polymeric organic phosphinate","Inorganic Chemistry","1990","29","","958","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344249","4.0851","","4.0851","","6.9824","","90","","90","","120","","100.912","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Sc0.93 I2","","- I2 Sc0.93 -","- I2 Sc0.919 -","- I2 Sc0.919 -","1","0.0833333","","McCollum, B.C.; Dudis, D.S.; Lachgar, A.; Corbett, J.D.","The layered, metallic scandium iodide Sc0.93 I2: Synthesis, structure, and properties","Inorganic Chemistry","1990","29","","2030","2032","","","","","","","","","","","","","","","","","","","","","","has coordinates","162385","2020-10-21","18:00:00",""
"4344253","6.597","","14.792","","10.589","","90","","90","","90","","1033.31","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","K3 Ga3 As4","","- As4 Ga3 K3 -","- As4 Ga3 K3 -","- As16 Ga12 K12 -","4","0.5","","Birdwhistell, T.L.T.; Stevens, E.D.; O'Connor, C.J.","Synthesis and crystal structure of a novel layered Zintl phase: K3 Ga3 As4","Inorganic Chemistry","1990","29","","3892","3894","","","","","","","","","","","","","","","","","","","","","","has coordinates","162569","2020-10-21","18:00:00",""
"4344256","10.432","","15.709","","6.472","","90","","112.86","","90","","977.304","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","H ((Ru (C O)3)4 H2 B)","","- C12 H3 B O12 Ru4 -","- C12 H3 B O12 Ru4 -","- C24 H6 B2 O24 Ru8 -","2","0.5","","Hong, F.E.; White, J.P.; McCarthy, D.A.; Cotrell, C.E.; Shore, S.G.","Reaction of THF.BH3 with H2 Ru4 (C O)13 and H4 Ru4 (C O)12; Preparation and Structure of the Tetraruthenium 'butterfly' cluster H Ru4 (C O)12 B H2","Inorganic Chemistry","1990","29","","2874","2876","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344261","5.0474","","7.5893","","13.8725","","90.14","","95.74","","99.67","","521.126","","","","","","","","","","","","","6","P -1","-P 1","2","","(H F) ((H O Te F4 O Xe) (As F6))","","- As F11 H2 O2 Te Xe -","- As F11 O2 Te Xe -","- As2 F22 O4 Te2 Xe2 -","2","1","","Turowsky, L.; Seppelt, K.","Polymeric xenon materials: (-Xe-O-Te F4-O-)n. Crystal structure of H F * H O-Te F4-O-Xe+ As F6-","Inorganic Chemistry","1990","29","","3126","3228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344262","13.454","","9.93","","14.567","","90","","93.2","","90","","1943.09","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","((Se I2)2 (As F6)2) (S O2)","","- As2 F12 I4 O2 S Se2 -","- As2 F12 I4 O2 S Se2 -","- As8 F48 I16 O8 S4 Se8 -","4","1","","Nandana, W.A.S.; White, P.S.; Passmore, J.; Wong, C.-M.","Preparations and crystal structures of Se2I4(AsF6)2*SO2 and Se2I4(Sb2F11)2 and electronic structure of the eclipsed diselenium tetraiodide dication, containing two (SeI2)+ radical cations joined via pi*-pi*bond and a delocalized 4p pi-4p","Inorganic Chemistry","1990","29","","3529","3538","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344285","15.313","","8.5353","","16.206","","90","","100.52","","90","","2082.54","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Pt (N H3)4)2 (Fe (C N)5)2 (Pt (N H3)4) (C N)2 (H2 O)9","","- C12 H54 Fe2 N24 O9 Pt3 -","- C12 Fe2 N24 O8.98 Pt3 -","- C24 Fe4 N48 O17.96 Pt6 -","2","0.5","","Zhou, M.; van Engen, D.; Steiger, J.; Pfennig, B.W.; Bocarsly, A.B.","Multielectron Transfer and Single-Crystal X-ray Structure of a Trinuclear Cyanide-Bridged Platinum-Iron Species","Inorganic Chemistry","1990","29","","2456","2460","","","","","","","","","","","","","","","","","","","","","","has coordinates","165098","2020-10-21","18:00:00",""
"4344287","10.977","","9.845","","13.803","","90","","90","","90","","1491.67","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4 Se3 -","- P4 Se3 -","- P32 Se24 -","8","1","","Rollo, J.R.; Robinson, W.T.; Burns, G.R.; Clark, R.J.H.; Dawes, H.M.; Hursthouse, M.B.","A new polymorph of tetraphosphorus triselenide, alpha'P4 Se3: An x-ray, Raman, and XPS study of the normal crystalline phases and a DSC study of the crystalline and the orientationally disordered phases of P4 Se3","Inorganic Chemistry","1990","29","","2889","2894","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344365","5.9462","","10.299","","6.687","","90","","107.25","","90","","391.091","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Cu V ( P S3)2","","- Cu P2 S6 V -","- Cu0.96 P2 S6 V -","- Cu1.92 P4 S12 V2 -","2","0.5","","Durand, E.; Ouvrard, G.; Evain, M.; Brec, R.","Split model description of the copper site distribution in the new layered (2D) copper vanadium phosphorus sulfide (CuIVIIIP2S6) phase","Inorganic Chemistry","1990","29","","4916","4920","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344484","13.1524","","13.1524","","17.3122","","90","","90","","120","","2593.54","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al5.1 Ba44.52 Cu23.23 O83.84 -","- Al5.1 Ba44.516 Cu23.232 O83.84 -","- Al5.1 Ba44.516 Cu23.232 O83.84 -","1","0.0833333","","VerNooy, P.D.; Dixon, M.A.; Stacy, A.M.; Hollander, F.J.","Novel Cu6 O15 ""bowls"" in seven new barium copper oxides: M6 Ba46 Cu24 O84 (M= Al, Si, TI, Fe, Ga, Ge, Zr)","Inorganic Chemistry","1990","29","","2837","2841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""