# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T17:45:13+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 'Journal of the Chemical Society') 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
"1010207","9.51","","11.93","","4.23","","90","","90","0","90","","479.9","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium tetrabromoaurate dihydrate","","- Au Br4 H4 K O2 -","- Au Br4 H4 K O2 -","- Au2 Br8 H8 K2 O4 -","2","0.5","","Cox, E. G.; Webster, K. C.","The Stereochemistry of Quadricovalent Atoms: Tervalent Gold","Journal of the Chemical Society","1936","1936","","1635","1637","10.1039/JR9360001635","","","","","","","","","","","","","","","","","","","","","has coordinates","188738","2020-10-21","18:00:00",""
"1010208","6.29","0.02","6.29","0.02","6.42","0.02","90","","90","","90","","254","","","","","","","","","","","","","4","P 4","P 4","75","","Platinum tetraamminetetrachloroplatinate(II)","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","1","0.25","","Vox, E G; Pinkard, F W; Wardlaw, W; Preston, G H","The Green Salt of Magnus, and Some Related Compounds","Journal of the Chemical Society","1932","1932","","2527","2534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010209","9.58","","9.58","","9.58","","83.93","","83.93","","83.93","","865.4","","","","","","","","","","","","","3","R -3 c RS","","167","","Caesium nonachlorodithallate","","- Cl9 Cs3 Tl2 -","- Cl9 Cs3 Tl2 -","- Cl18 Cs6 Tl4 -","2","","","Powell, H M; Wells, A F","Complex-anion Formation by Tervalent Elements: The Structure of Caesium Thallic Enneachloride","Journal of the Chemical Society","1935","1935","","1008","1012","","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010210","8.39","","8.39","","14.34","","90","","90","","90","","1009.4","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ammonium pentabromodiplumbate(II)","","- Br5 H4 N Pb2 -","- Br5 H4 N Pb2 -","- Br20 H16 N4 Pb8 -","4","0.125","","Powell, H M; Tasker, H S","The Valency Angle of Bivalent Lead: The Crystal Structure of Ammonium, Rubidium, and Potassium Pentabromodiplumbites","Journal of the Chemical Society","1937","1937","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010211","8.41","","8.41","","14.5","","90","","90","","90","","1025.6","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Rubidium pentabromodiplumbate(II)","","- Br5 Pb2 Rb -","- Br5 Pb2 Rb -","- Br20 Pb8 Rb4 -","4","0.125","","Powell, H M; Tasker, H S","The Valency Angle of Bivalent Lead: The Crystal Structure of Ammonium, Rubidium, and Potassium Pentabromodiplumbites","Journal of the Chemical Society","1937","1937","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010319","4.13","","4.13","","6.69","","90","","90","","120","","98.8","","","","","","","","","","","","","2","P -6","P -6","174","","Germanium(II) iodide","","- Ge I2 -","- Ge I2 -","- Ge I2 -","1","0.166667","","Powell, H M; Brewer, F M","The Structure of Germanous Iodide","Journal of the Chemical Society","1938","1938","","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010479","8.32","","8.28","","5.9","","90","","90","","90","","406.4","","","","","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Potassium amidosulfate","","- H2 K N O3 S -","- H2 K N O3 S -","- H8 K4 N4 O12 S4 -","4","0.5","","Brown, C J; Cox, E G","The Crystal Structure of Potassium Sulphamate","Journal of the Chemical Society","1940","1940","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010480","6.45","","6.45","","15.98","","90","","90","","120","","575.7","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Nonacarbonyl diiron","","- C9 Fe2 O9 -","- C9 Fe2 O9 -","- C18 Fe4 O18 -","2","0.166667","","Powell, H M; Ewens, R V G","The Crystal Structure of Iron Enneacarbonyl","Journal of the Chemical Society","1939","1939","","286","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010481","9.18","","9.18","","14.47","","90","","90","","90","","1219.4","","","","","","","","","","","","","3","I 4/m c m (a+1/4,b-1/4,c+1/4)","-I 4 2c (x-1/4,y+1/4,z-1/4)","140","","Tricaesium cobalt chloride","","- Cl5 Co Cs3 -","- Cl10 Co2 Cs6 -","- Cl40 Co8 Cs24 -","4","","","Powell, H M; Wells, A F","The Structure of Caesium Cobalt Chloride ( Cs~3~ Co Cl~5~ )","Journal of the Chemical Society","1935","1935","","359","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1010482","12.43","","12.43","","5.52","","90","","90","","90","","852.9","","","","","","","","","","","","","6","I -4","I -4","82","","Tetrakisthioacetamide copper(I) chloride","","- C8 H20 Cl Cu N4 S4 -","- C8 H20 Cl Cu N4 S4 -","- C16 H40 Cl2 Cu2 N8 S8 -","2","0.25","","Cox, E G; Wardlaw, W; Webster, K C","The Stereochemistry of Quadricovalent Atoms: Copper and Silver","Journal of the Chemical Society","1936","1936","","775","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010483","12.59","","12.59","","5.37","","90","","90","","90","","851.2","","","","","","","","","","","","","6","I -4","I -4","82","","Tetrakisthioacetamide silver(I) chloride","","- C8 H20 Ag Cl N4 S4 -","- C8 H20 Ag Cl N4 S4 -","- C16 H40 Ag2 Cl2 N8 S8 -","2","0.25","","Cox, E G; Wardlaw, W; Webster, K C","The Stereochemistry of Quadricovalent Atoms: Copper and Silver","Journal of the Chemical Society","1936","1936","","775","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010852","4.98","","4.98","","4.98","","90","","90","","90","","123.5","","","","","","","","","","","","","3","","","","","Copper iron cyanide","","- Cu Fe N4 -","","","1","","","Fordham, S; Tyson, J T","The Structure of Semipermeable Membranes of Inorganic Salts.","Journal of the Chemical Society","1937","1937","","483","487","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010853","8.28","","8.28","","8.28","","90","","90","","90","","567.7","","","","","","","","","","","","","3","","","","","Lead iron cyanide","","- Fe N4 Pb -","","","1","","","Fordham, S; Tyson, J T","The Structure of Semipermeable Membranes of Inorganic Salts.","Journal of the Chemical Society","1937","1937","","483","487","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1101035","5","0.01","5.72","0.01","11.12","0.02","90","","90","","90","","318","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Tin (II) oxide - red modification","","- O Sn -","- O Sn -","- O8 Sn8 -","8","1","","Donaldson, J. D.; Moser, W.; Simpson, W. B.","178. Red tin(II) oxide","Journal of the Chemical Society","1961","","","839","841","10.1039/jr9610000839","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1527261","10.12","","12.3","","4.42","","90","","90","","90","","550.184","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Sb Br3","","- Br3 Sb -","- Br3 Sb -","- Br12 Sb4 -","4","1","","Cushen, D.W.; Hulme, R.","The crystal and molecular structure of antimony tribromide: alpha-antimony tribromide","Journal of the Chemical Society","1964","1964","","4162","4166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527495","8.02","","10.35","","10.45","","90","","90","","90","","867.423","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","Tl2 Br4","","- Br4 Tl2 -","- Br4 Tl2 -","- Br16 Tl8 -","4","0.5","","Hazell, A.C.","The Crystal Structure of Thallium Dibromide","Journal of the Chemical Society","1963","1963","","3459","3459","","","","","","","","","","","","","","","","","","","","","","has coordinates","149100","2020-10-21","18:00:00",""
"1527616","9.38","","7.22","","9.02","","90","","114.97","","90","","553.769","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Sn (H2 O)) Cl2 (H2 O)","","- Cl2 H4 O2 Sn -","- Cl2 O2 Sn -","- Cl8 O8 Sn4 -","4","1","","Kamenar, B.; Grdenic, D.","the crystal structure of stannous chloride dihydrate","Journal of the Chemical Society","1961","1961","","3954","3958","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534201","5.637","","5.637","","5.637","","90","","90","","90","","179.12","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Po O2","","- O2 Po -","- O2 Po -","- O8 Po4 -","4","0.0208333","","Bagnall, K.W.; d'Eye, R.W.M.","The Preparation of Polonium Metal and Polonium Dioxide","Journal of the Chemical Society","1954","1954","","4295","4299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534202","3.66","","4.34","","4.49","","90","","90","","90","","71.321","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Po Cl2","","- Cl2 Po -","- Cl2 Po -","- Cl2 Po -","1","0.125","","Bagnall, K.W.; d'Eye, R.W.M.; Freeman, J.H.","The polonium halides. Part I. Polonium chlorides.","Journal of the Chemical Society","1955","1955","","2320","2326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534203","10.33","","10.33","","10.33","","90","","90","","90","","1102.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(N H4)2 Po Cl6","","- Cl6 H8 N2 Po -","- Cl6 H8 N2 Po -","- Cl24 H32 N8 Po4 -","4","0.0208333","","Bagnall, K.W.; d'Eye, R.W.M.; Freeman, J.H.","The Polonium Halides. Part I. Polonium Chlorides","Journal of the Chemical Society","1955","1955","","2320","2326","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534204","8.52","","8.17","","4.61","","90","","90","","90","","320.895","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H2 (Se O4)","","- H2 O4 Se -","- O4 Se -","- O16 Se4 -","4","1","","Bailey, M.; Wells, A.F.","The structures of inorganic oxy-acids: The crystal structure of selenious acid","Journal of the Chemical Society","1951","1951","","968","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534219","5.717","","5.717","","4.667","","90","","90","","120","","132.101","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K2 Pd F6","","- F6 K2 Pd -","- F6 K2 Pd -","- F6 K2 Pd -","1","0.0833333","","Bartlett, N.; Quail, J.W.","The Preparation of Palladium Difluoride and Complex Fluorides of Palladium in Selenium Tetrafluoride.","Journal of the Chemical Society","1961","1961","","3728","3732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534241","4.146","","4.146","","4.146","","90","","90","","90","","71.267","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","U O3","","- O3 U -","- O3 U -","- O3 U -","1","0.0208333","","Bawson, J.K.; Wait, Z.; Chilton, D.R.; Alcock, K.","Some aspects of the system uranium trioxide-water.","Journal of the Chemical Society","1956","1956","","3531","3540","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534326","10.24","","10.24","","10.24","","90","","90","","90","","1073.74","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs2 (Nb O Cl5)","","- Cl5 Cs2 Nb O -","- Cl4.98 Cs2 Nb O1.02 -","- Cl19.92 Cs8 Nb4 O4.08 -","4","0.0208333","","Brown, D.","Some oxychloro-complexes of quinquevalent elements","Journal of the Chemical Society","1964","1964","","4944","4948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534368","9.22","","9.22","","7.44","","90","","90","","90","","632.462","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","P Cl5","","- Cl5 P -","- Cl5 P -","- Cl20 P4 -","4","0.5","","Clark, D.; Powell, H.M.; Wells, A.F.","The crystal structure of phosphorus pentachloride","Journal of the Chemical Society","1942","1942","","642","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534375","9.53","","11.95","","4.24","","90","","94.4","","90","","481.443","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K (Au Br4) (H2 O)2","","- Au Br4 H4 K O2 -","- Au Br4 H4 K O2 -","- Au2 Br8 H8 K2 O4 -","2","0.5","","Cox, E.G.; Webster, K.C.","The stereochemistry of quadricovalent atoms: Trivalent gold","Journal of the Chemical Society","1936","1936","","1635","1637","","","","","","","","","","","","","","","","","","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"1534382","6.68","","8.25","","9.96","","90","","90","","90","","548.896","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Sb Br3","","- Br3 Sb -","- Br3 Sb -","- Br12 Sb4 -","4","0.5","","Cushen, D.W.; Hulme, R.","The crystal and molecular structure of antimony tribromide: beta-antimony tribromide.","Journal of the Chemical Society","1962","1962","","2218","2222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534383","10.445","","8.7","","10.445","","90","","90","","90","","949.153","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","(Co (N H3)5 (N O)) Cl2","","- Cl2 Co H15 N6 O -","- Cl2 Co H18 N6 O -","- Cl8 Co4 H72 N24 O4 -","4","0.25","","Dale, D.H.; Crowfoot-Hodgkin, D.","The crystal structure of black nitrosylpentamminecobalt dichloride","Journal of the Chemical Society","1965","1965","","1364","1371","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535853","6.948","","12.19","","8.723","","90","","90","","90","","738.804","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(P N F2)3","","- F6 N3 P3 -","- F6 N3 P3 -","- F24 N12 P12 -","4","0.5","","Dougill, M.W.","Phosphonitrilic Derivates. Part X. The Crystal Structure of Trimeric Phosphonitrilic Fluoride","Journal of the Chemical Society","1963","1963","","3211","3217","","","","","","","","","","","","","","","","","","","","","","has coordinates","163342","2020-10-21","18:00:00",""
"1535938","8.194","","8.194","","8.194","","90","","90","","90","","550.159","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Na (Mo F6)","","- F6 Mo Na -","- F6 Mo Na -","- F24 Mo4 Na4 -","4","0.0208333","","Edwards, A.J.; Peacock, R.D.","The structure of sodium hexafluoromolybdate(V)","Journal of the Chemical Society","1961","1961","","4253","4254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535942","9.85","","9.85","","9.85","","90","","90","","90","","955.672","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K2 (Mo Cl6)","","- Cl6 K2 Mo -","- Cl6 K2 Mo -","- Cl24 K8 Mo4 -","4","0.0208333","","Edwards, A.J.; Peacock, R.D.; Said, A.","Complex chlorides and bromides of quadrivalent molybdenum","Journal of the Chemical Society","1962","1962","","4643","4648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535945","9.61","","14.22","","5.16","","90","","94.35","","90","","703.104","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Mo F5","","- F5 Mo -","- F5 Mo -","- F40 Mo8 -","8","1","","Edwards, A.J.; Small, R.W.H.; Peacock, R.D.","The preparation and structure of molybdenum pentafluoride","Journal of the Chemical Society","1962","1962","","4486","4491","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535949","9.62","","14.43","","5.12","","90","","96.1","","90","","706.717","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Nb F5","","- F5 Nb -","- F5 Nb -","- F40 Nb8 -","8","1","","Edwards, A.J.","The structures of niobium and tantalum pentafluorides","Journal of the Chemical Society","1964","1964","","3714","3718","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536154","8.945","","8.945","","7.93","","90","","90","","90","","634.503","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Th Br4","","- Br4 Th -","- Br4 Th -","- Br16 Th4 -","4","0.125","","d'Eye, R.W.M.","The crystal structure of thorium tetrabromide","Journal of the Chemical Society","1950","1950","","2764","2766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536157","5.863","","5.863","","5.863","","90","","90","","90","","201.539","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Th Se","","- Se Th -","- Se Th -","- Se4 Th4 -","4","0.0208333","","d'Eye, R.W.M.; Sellman, P.G.; Murray, J.R.","The Thorium-Selenium System","Journal of the Chemical Society","1952","1952","","2555","2562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536162","11.57","","11.57","","4.23","","90","","90","","120","","490.386","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Th7 Se12","","- Se12 Th7 -","- Se12 Th7 -","- Se12 Th7 -","1","0.0833333","","d'Eye, R.W.M.","The crystal structures of Th Se2 and Th7 Se12","Journal of the Chemical Society","1953","1953","","1670","1671","","","","","","","","","","","","","","","","","","","","","","has coordinates","163770","2020-10-21","18:00:00",""
"1537341","7.14","","7.65","","5.83","","90","","90","","90","","318.44","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","(N H4) (N O3)","","- H4 N2 O3 -","- H4 N2 O3 -","- H16 N8 O12 -","4","0.5","","Goodwin, T.H.; Whetstone, J.","The crystal structure of ammonium nitrate III, and atomic scattering factors in ionic crystals","Journal of the Chemical Society","1947","1947","","1455","1461","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537348","8.64","","7.52","","6.3","","90","","103.8","","90","","397.513","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hg2 (N O3)2 (H2 O)2","","- H4 Hg2 N2 O8 -","- Hg2 N2 O8 -","- Hg4 N4 O16 -","2","0.5","","Grdenic, D.","The Hg-Hg Bond Length in the Mercurous Ion. Part I. The Crystal Structure of Mercurous Nitrate Dihydrate","Journal of the Chemical Society","1956","1956","","1312","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537418","12.47","","10.01","","5.42","","90","","99.83","","90","","666.617","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Ru F5","","- F5 Ru -","- F5 Ru -","- F40 Ru8 -","8","2","","Holloway, J.H.; Peacock, R.D.; Small, R.W.H.","The crystal structure of ruthenium pentafluoride","Journal of the Chemical Society","1964","1964","","644","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537465","7.445","","8.154","","10.261","","90","","90","","90","","622.91","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 (S O3 (N O)2)","","- H8 N4 O5 S -","- H8 N4 O5 S -","- H32 N16 O20 S4 -","4","0.5","","Jeffrey, G. A.; Stadler, H. P.","The structure of the dinitrososulphite and sulphamate ions","Journal of the Chemical Society","1951","1951","","1467","1474","10.1039/jr9510001467","","","","","","","","","","","","","","","","","","","","","has coordinates","209001","2020-10-21","18:00:00",""
"1538503","7.36","","5.33","","5.82","","99.7","","87.45","","105.7","","216.651","","","","","","","","","","","","","5","P -1","-P 1","2","","(N2 H5)2 Zn (S O4)2","","- H10 N4 O8 S2 Zn -","- N4 O8 S2 Zn -","- N4 O8 S2 Zn -","1","0.5","","Prout, C.K.; Powell, H.M.","Hydrazinium(1+) as a Ligand.","Journal of the Chemical Society","1961","1961","","4177","4182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538519","7.24","","14.32","","8.74","","90","","90","","90","","906.135","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","(Ni (N H3)) (C N)2 (H2 O).25","","- C2 H3.5 N3 Ni O0.25 -","- C2 N3 Ni O0.25 -","- C16 N24 Ni8 O2 -","8","0.5","","Rayner, J.H.; Powell, H.M.","Crystal structure of a hydrated nickel cyanide ammoniate","Journal of the Chemical Society","1958","1958","","3412","3418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539944","7.2","","7.2","","18","","90","","90","","120","","808.106","","","","","","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","Cs Cu Cl3","","- Cl3 Cs Cu -","- Cl3 Cs Cu -","- Cl18 Cs6 Cu6 -","6","0.5","","Wells, A.F.","The Crystal Structure of Cs Cu Cl3 and the Crystal Chemistry of Complex Halides A B X3","Journal of the Chemical Society","1947","1947","","1662","1670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539945","6.85","","3.3","","6.7","","90","","121","","90","","129.821","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Cu Cl2","","- Cl2 Cu -","- Cl2 Cu -","- Cl4 Cu2 -","2","0.25","","Wells, A.F.","The crystal structure of anhydrous cupric chloride, and the stereochemistry of the cupric atom","Journal of the Chemical Society","1947","1947","","1670","1675","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539946","9.15","","6","","5.05","","90","","90","","90","","277.245","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H2 (Se O3)","","- H2 O3 Se -","- O3 Se -","- O12 Se4 -","4","1","","Wells, A.F.; Bailey, M.","The structures of inorganic oxy-acids: The crystal structure of selenious acid","Journal of the Chemical Society","1949","1949","","1282","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541394","5.67","","5.67","","5.67","","90","","90","","90","","182.284","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","U F4 (H2 O)1.3","","- F4 H2.6 O1.3 U -","- F4 O1.3 U -","- F8 O2.6 U2 -","2","0.0104167","","Dawson, J.K.; d'Eye, R.W.M.; Truswell, A.E.","The hydrated Tetrafluorides of Uranium and Plutonium.","Journal of the Chemical Society","1954","1954","","3922","3929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541395","5.65","","5.65","","5.65","","90","","90","","90","","180.362","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","U F4 (H2 O).7","","- F4 H1.4 O0.7 U -","- F4 O0.7 U -","- F8 O1.4 U2 -","2","0.0104167","","Dawson, J.K.; Truswell, A.E.; d'Eye, R.W.M.","The Hydrated Tetrafluorides of Uranium and Plutonium.","Journal of the Chemical Society","1954","1954","","3922","3929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541396","5.63","","5.63","","5.63","","90","","90","","90","","178.454","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Pu F4 (H2 O)1.6","","- F4 H3.2 O1.6 Pu -","- F4 O1.6 Pu -","- F8 O3.2 Pu2 -","2","0.0104167","","Dawson, J.K.; Truswell, A.E.; d'Eye, R.W.M.","The Hydrated Tetrafluorides of Uranium and Plutonium.","Journal of the Chemical Society","1954","1954","","3922","3929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541436","5.6","","5.6","","5.6","","90","","90","","90","","175.616","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Po Br4","","- Br4 Po -","- Br4 Po -","- Br4 Po -","1","0.00520833","","Bagnall, K.W.; d'Eye, R.W.M.; Freeman, J.H.","The Polonium Halides. Part II. Bromides.","Journal of the Chemical Society","1955","1955","","3959","3963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541438","10.82","","10.82","","10.82","","90","","90","","90","","1266.72","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(N H4)2 Po Br6","","- Br6 H8 N2 Po -","- Br6 H8 N2 Po -","- Br24 H32 N8 Po4 -","4","0.0208333","","Bagnall, K.W.; d'Eye, R.W.M.; Freeman, J.H.","The Polonium Halides. Part II. Bromides.","Journal of the Chemical Society","1955","1955","","3959","3963","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1541440","10.99","","10.99","","10.99","","90","","90","","90","","1327.37","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 Po Br6","","- Br6 Cs2 Po -","- Br6 Cs2 Po -","- Br24 Cs8 Po4 -","4","0.0208333","","Bagnall, K.W.; d'Eye, R.W.M.; Freeman, J.H.","The Polonium Halides. Part II. Bromides.","Journal of the Chemical Society","1955","1955","","3959","3963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541441","10.888","","10.888","","10.888","","90","","90","","90","","1290.76","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 Te Br6","","- Br6 Cs2 Te -","- Br6 Cs2 Te -","- Br24 Cs8 Te4 -","4","0.0208333","","Bagnall, K.W.; Freeman, J.H.; d'Eye, R.W.M.","The Polonium Halides. Part II. Bromides.","Journal of the Chemical Society","1955","1955","","3959","3963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541442","11.79","","11.79","","11.79","","90","","90","","90","","1638.86","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 Po I6","","- Cs2 I6 Po -","- Cs2 I6 Po -","- Cs8 I24 Po4 -","4","0.0208333","","Bagnall, K.W.; d'Eye, R.W.M.; Freeman, J.H.","The Polonium Halides. Part III. Polonium Tetraiodide","Journal of the Chemical Society","1956","1956","","3385","3389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541443","10","","10","","10","","90","","90","","90","","1000","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Na6 Al6 Si10 O32","","- Al6 Na6 O32 Si10 -","- Al6 Na6 O32 Si10 -","- Al6 Na6 O32 Si10 -","1","0.0104167","","Barrer, R.M.; Bultitude, F.W.; Kerr, I.S.","Some Properties of, and a Structural Scheme for, the Harmotome Zeolites.","Journal of the Chemical Society","1959","1959","","1521","1528","","","","","","","","","","","","","","","","","","","","","","has coordinates","172775","2020-10-21","18:00:00",""
"1541534","5.69","","5.69","","5.69","","90","","90","","90","","184.22","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","U F4 (H2 O)2","","- F4 H4 O2 U -","- F4 O2 U -","- F8 O4 U2 -","2","0.0104167","","Dawson, J.K.; d'Eye, R.W.M.; Truswell, A.E.","The Hydrated Tetrafluorides of Uranium and Plutonium.","Journal of the Chemical Society","1954","1954","","3922","3929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541702","10.727","","10.727","","10.727","","90","","90","","90","","1234.34","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Ca U O3","","- Ca U -","- Ca U -","- Ca16 U16 -","16","0.333333","","Alberman, K.B.; Blakey, R.C.; Anderson, J.S.","The Oxides of Uranium. Part II. The Binary System U O2 Ca O","Journal of the Chemical Society","1951","1951","","1352","1356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541972","10.44","","8.75","","10.44","","90","","90","","90","","953.694","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Co N O (N H3)5 Cl2","","- Cl2 Co H15 N6 O -","- Cl2 Co H15 N6 O -","- Cl8 Co4 H60 N24 O4 -","4","0.25","","Hall, D.; Taggart, A.A.","The Crystal Structure of Nitrosylpentaamminecobalt Dichloride (Black Form)","Journal of the Chemical Society","1965","1965","","1359","1363","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1541984","12.37","","12.144","","6.433","","90","","90","","90","","966.373","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Co (N H3)5 C O3 Br H2 O","","- C H17 Br Co N5 O4 -","- C H17 Br Co N5 O4 -","- C4 H68 Br4 Co4 N20 O16 -","4","1","","Freeman, H.C.; Robinson, G.","The Crystal Structure of Carbonatopenta-ammine-cobalt(III) Bromide Hydrate","Journal of the Chemical Society","1965","1965","","3194","3200","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542100","6.35","","6.35","","7.38","","90","","90","","90","","297.58","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Rb (O C N)","","- C N O Rb -","- C N O Rb -","- C4 N4 O4 Rb4 -","4","0.125","","Waddington, T.C.","Lattice parameters and infrared spectra of some inorganic cyanates.","Journal of the Chemical Society","1959","1959","","2499","2502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542101","6.71","","6.71","","8.04","","90","","90","","90","","361.994","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Cs (O C N)","","- C Cs N O -","- C Cs N O -","- C4 Cs4 N4 O4 -","4","0.125","","Waddington, T.C.","Lattice parameters and infrared spectra of some inorganic cyanates.","Journal of the Chemical Society","1959","1959","","2499","2502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542102","6.232","","6.232","","7.32","","90","","90","","90","","284.293","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Tl (O C N)","","- C N O Tl -","- C N O Tl -","- C4 N4 O4 Tl4 -","4","0.125","","Waddington, T.C.","Lattice parameters and infrared spectra of some inorganic cyanates.","Journal of the Chemical Society","1959","1959","","2499","2502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542163","6.72","","7.76","","10.06","","92.8","","106.3","","106.5","","478.046","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H3)4 Co (O H)2 Co (N H3)4 Cl4 (H2 O)4","","- Cl4 Co2 H34 N8 O6 -","- Cl4 Co2 H36 N8 O6 -","- Cl4 Co2 H36 N8 O6 -","1","0.5","","Prout, C.K.","The crystal structure of Di-mue-hydroxo-bis(tetramminedicobalt(III)) chloride tetrahydrate","Journal of the Chemical Society","1962","1962","","4429","4437","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542184","11.12","","5.05","","8.28","","90","","90","","90","","464.972","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Cu (N O3)2","","- Cu N2 O6 -","- Cu N2 O6 -","- Cu4 N8 O24 -","4","1","","Wallwork, S.C.; Addison, W.E.","The Crystal Structures of Anhydrous Nitrates and Their Complexes. Part I. The alpha Form of Copper(II) Nitrate","Journal of the Chemical Society","1965","1965","","2925","2933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000103","8.27","0.04","10.54","0.05","16.47","0.08","90","","90","","90","","1435.62","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl -","- C15 Cl -","- C60 Cl4 -","4","1","","Robertson, J. Monteath; Todd, G.","X-ray studies in the caryophyllene series. The chloride and bromide from β-caryophyllene alcohol","Journal of the Chemical Society","1955","","","1254","1263","10.1039/JR9550001254","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5900014","10.67","","8.67","","6.16","","90","","90","","90","","569.85","","","","","","","","","","","","","4","P b c a","","61","","N,N'-Dinitroethanediamine","","- C2 H6 N4 O4 -","- C2 N4 O4 -","- C8 N16 O16 -","4","0.5","","Llewellyn, F. J.; Whitmore, F. E.","The crystal structure of s-bisnitroaminoethane (ethylene dinitroamine)","Journal of the Chemical Society","1948","","","1316","1323","10.1039/JR9480001316","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900022","6.1","0.02","6.1","0.02","8.73","0.02","90","","90","","90","","324.84","","","","","","","","","","","","","3","I -4","","82","","Pentaerythritol","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","","Llewellyn, F. J.; Cox, E. G.; Goodwin, T. H.","The crystalline structure of the sugars. Part IV. Pentaerythritol and the hydroxyl bond","Journal of the Chemical Society","1937","","","883","894","10.1039/JR9370000883","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900023","9.38","","9.38","","6.7","","90","","90","","90","","589.5","","","","","","","","","","","","","4","P -4 21 c","","114","","1,3-Dinitrato-2,2-bis(nitratomethyl)propane","","- C5 H8 N4 O12 -","- C5 H8 N4 O12 -","- C10 H16 N8 O24 -","2","0.25","","Booth, A. D.; Llewellyn, F. J.","The crystal structure of pentaerythritol tetranitrate","Journal of the Chemical Society","1947","","","837","846","10.1039/JR9470000837","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900035","11.05","0.03","3.86","0.01","7.98","0.02","90","","98","0.3","90","","337.06","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Acetylene dicarboxylic acid dihydrate","","- C4 H6 O6 -","- C4 O6 -","- C8 O12 -","2","0.5","","Dunitz, J. D.; Robertson, J. Monteath","The crystal and molecular structure of certain dicarboxylic acids. Part II. Acetylenedicarboxylic acid dihydrate","Journal of the Chemical Society","1947","","","148","154","10.1039/JR9470000148","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900036","11.15","","3.75","","20.18","","90","","107","","90","","806.91","","","","","","","","","","","","","3","C 1 2/c 1","","15","","Diacetylene dicarboxylic acid dihyrate","","- C6 H6 O6 -","- C6 O6 -","- C24 O24 -","4","0.5","","Dunitz, J. D.; Robertson, J. Monteath","The crystal and molecular structure of certain dicarboxylic acids. Part III. Diacetylenedicarboxylic acid dihydrate","Journal of the Chemical Society","1947","","","1145","1156","10.1039/JR9470001145","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900038","5.1","0.01","8.88","0.03","7.61","0.02","90","","133.1","","90","","251.64","","","","293","","","","","","","","","3","P 1 21/c 1","","14","","Methylmalonic acid of form beta","","- C4 H6 O4 -","- C4 O4 -","- C8 O8 -","2","0.5","","Morrison, J. D.; Robertson, J. Monteath","The crystal and molecular structure of certain dicarboxylic acids. Part IV. β-Succinic acid","Journal of the Chemical Society","1949","","","980","986","10.1039/JR9490000980","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900039","10.07","0.03","5.16","0.01","10.03","0.03","90","","137.02","","90","","355.3","","","","","","","","","","","","","3","P 1 21/c 1","","14","Adipic acid","Hexanedioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Morrison, J. D.; Robertson, J. Monteath","The crystal and molecular structure of certain dicarboxylic acids. Part V. Adipic acid","Journal of the Chemical Society","1949","","","987","992","10.1039/JR9490000987","","","","","","","","","","","","","","","","","","","","","has coordinates","285098","2023-07-08","12:39:39",""
"5900040","10.1","0.03","5","0.01","15.1","0.05","90","","133.8","0.3","90","","550.38","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Sebacic acid","Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Morrison, J. D.; Robertson, J. Monteath","The crystal and molecular structure of certain dicarboxylic acids. Part VI. Sebacic acid","Journal of the Chemical Society","1949","","","993","1001","10.1039/JR9490000993","","","","","","","","","","","","","","","","","","","","","has coordinates","285098","2023-07-08","12:39:39",""