# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:37:45+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 'Can. J. Chem.') 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
"1004065","11.022","0.006","7.072","0.003","9.257","0.005","90","","90","","90","","721.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","AMMONIUM TETRACHLOROALUMINATE","","- Al Cl4 H4 N -","- Al Cl4 H4 N -","- Al4 Cl16 H16 N4 -","4","0.5","","Mairesse, G; Barbier, P; Wignacourt, J P; Rubbens, A; Wallart, F","X-ray, Raman, infrared, and nuclear magnetic resonance studies of the crystal structure of ammonium tetrachloroaluminate, N H~4~ Al Cl~4~","Canadian Journal of Chemistry","1978","56","","764","771","10.1139/v78-127","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1500001","10.303","","10.303","","10.303","","90","","90","","90","","1093.68","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Antimony Oxide (6/13)","","","- O13 Sb6 -","- O13 Sb6 -","- O52 Sb24 -","4","0.0208333","","David J. Steward; Osvald Knop; Conrad Ayasse; F. W. D. Woodhams","Pyrochlores. VII. The oxides of antimony: an X-ray and Moessbauer study","Canadian Journal of Chemistry","1972","50","","690","700","10.1139/v72-106","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501607","9.627","0.005","4.9751","0.0005","35.2533","0.0005","90","","95.79","0.02","90","","1679.9","0.9","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl N5 -","- C14 H16 Cl N5 -","- C56 H64 Cl4 N20 -","4","1","","Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest","A practical guide to arylbiguanides — Synthesis and structural characterization","Can. J. Chem.","2005","83","","615","625","10.1139/v05-093","","","1.54178","CuKα","","0.0652","0.0563","","","0.1784","0.1869","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501608","9.0317","0.0003","6.3945","0.0002","22.5874","0.0008","90","","99.588","0.002","90","","1286.27","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 c 1","P -2yc","7","","","","- C14 H15 N5 -","- C14 H15 N5 -","- C56 H60 N20 -","4","2","","Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest","A practical guide to arylbiguanides — Synthesis and structural characterization","Can. J. Chem.","2005","83","","615","625","10.1139/v05-093","","","1.54178","CuKα","","0.0745","0.0673","","","0.1525","0.1551","","","","","","1.024","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1501609","11.649","0.0001","11.4547","0.0001","20.5132","0.0001","90","","95.89","","90","","2722.74","0.04","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 N4 S4 -","- C29 H16 N4 S4 -","- C116 H64 N16 S16 -","4","1","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.0711","0.0609","","","0.1727","0.181","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501610","24.9135","0.0008","24.9135","0.0008","7.1597","0.0002","90","","90","","90","","4443.9","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C45 H56 N4 O10 -","- C45 H56 N4 O10 -","- C180 H224 N16 O40 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1304","0.0688","","","0.1599","0.1795","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501611","17.7781","0.0002","17.7781","0.0002","7.1904","0.0001","90","","90","","90","","2272.6","0.05","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 42/n :2","-P 4bc","86","","","","- C44 H56 N4 O12 Si -","- C44 H56 N4 O12 Si -","- C88 H112 N8 O24 Si2 -","2","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.0879","0.0724","","","0.2024","0.216","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501612","17.2392","0.0003","17.2392","0.0003","17.3495","0.0003","90","","90","","90","","5156.1","0.16","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41","I 4bw","80","","","","- C47 H64 N8 O8 -","- C47 H60 N8 O8 -","- C188 H240 N32 O32 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1357","0.1089","","","0.2813","0.3059","","","","","","1.265","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501613","17.7201","0.0006","17.7201","0.0006","16.0845","0.0007","90","","90","","90","","5050.6","0.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41","I 4bw","80","","","","- C55 H80 N4 O8 -","- C48 H56 N4 O8 -","- C192 H224 N16 O32 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1946","0.1022","","","0.2493","0.2888","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501614","17.281","0.002","17.281","0.002","20.591","0.002","90","","90","","90","","6149.2","1.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4 21 c","P -4 2n","114","","","","- C53 H80 N8 O16 y -","- C61 H83.84 N8 O8 S2 -","- C244 H335.36 N32 O32 S8 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1589","0.0989","","","0.2505","0.2721","","","","","","1.249","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509028","2.961","","2.961","","4.778","","90","","90","","120","","36.279","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Silver indium (0.7/0.3) - HT","","- Ag0.7 In0.3 -","- Ag0.7 In0.3 -","- Ag1.4 In0.6 -","2","0.0833333","","Ferguson, R.B.; Wagemann, R.; Campbell, A.N.","The silver-indium system: Thermal analysis, photomicrography, electron microprobe, and X-ray powder diffraction results","Canadian Journal of Chemistry","1970","48","","1703","1715","10.1139/v70-281","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509392","10.258","","4.886","","20.063","","90","","90","","90","","1005.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 Ag I3","","- Ag I3 Rb2 -","- Ag I3 Rb2 -","- Ag4 I12 Rb8 -","4","0.5","","Brown, I.D.; Howard-Lock, H.E.; Natarajan-Iyer, M.","The crystal structure and polarised Raman spectrum of Rb2 Ag I3","Canadian Journal of Chemistry","1977","55","","1511","1514","10.1139/v77-210","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509954","8.039","","8.039","","15.011","","90","","90","","90","","970.094","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ag3 Ca5 -","- Ag3 Ca5 -","- Ag12 Ca20 -","4","0.125","","Rand, R.P.; Calvert, L.D.","The crystal structure of Ag3 Ca5","Canadian Journal of Chemistry","1962","40","","705","710","10.1139/v62-106","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510013","4.144","","4.144","","4.144","","90","","90","","90","","71.164","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag3 In -","- Ag3 In -","- Ag3 In -","1","0.0208333","","Ferguson, R.B.; Campbell, A.N.; Wagemann, R.","The silver-indium system: Thermal analysis, photomicrography, electron microprobe, and X-ray powder diffraction results","Canadian Journal of Chemistry","1970","48","","1703","1715","10.1139/v70-281","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510399","9.7","","9.222","","10.81","","90","","94.43","","90","","964.102","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Au2 (S O3 F)6","","- Au2 F6 O18 S6 -","- Au2 F6 O18 S6 -","- Au4 F12 O36 S12 -","2","0.5","","Aubke, F.; Willner, H.; Rettig, S.J.; Trotter, J.","The crystal and molecular structure of gold tris(fluorosulfate)","Canadian Journal of Chemistry","1991","69","","391","396","10.1139/v91-060","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511763","9.391","0.002","10.497","0.002","15.36","0.001","90","","101.02","0.01","90","","1486.2","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(6-Amino-2-thiouracilato)-aqua-zinc(ii) dihydrate","","- C8 H14 N6 O5 S2 Zn -","- C8 H8 N6 O5 S2 Zn -","- C32 H32 N24 O20 S8 Zn4 -","4","0.5","","M. Angustias Romero; M. Purificación Sánchez; Miguel Quirós; Francisco Sánchez; Juan M. Salas; Miguel N. Moreno; René Faure","Transition Metal Complexes of 6-Amino 2-Thiouracil; Crystal Structure of Bis(6-amino-2-thiouracilato)aquazinc(II) Dihydrate","Canadian Journal of Chemistry","1993","71","","29","33","10.1139/v93-004","","","0.71073","MoKα","","","0.042","","","","0.046","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1521064","9.777","","7.514","","13.234","","90","","90","","90","","972.228","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Mg Cl4","","- Cl4 Cs2 Mg -","- Cl4 Cs2 Mg -","- Cl16 Cs8 Mg4 -","4","0.5","","Gibbons, C.S.; Whitla, W.A.; Reinsborough, V.C.","Crystal Structures of K2 Mg Cl4 and Cs2 Mg Cl4","Canadian Journal of Chemistry","1975","53","","114","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522370","9.367","","5.39","","13.48","","90","","90","","90","","680.58","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Na4 (P2 O7)","","- Na4 O7 P2 -","- Na4 O7 P2 -","- Na16 O28 P8 -","4","1","","Leung, K.Y.; Calvo, C.","The structure of Na4 P2 O7 at 295 K","Canadian Journal of Chemistry","1972","50","","2519","2526","","","","","","","","","","","","","","","","","","","","","","has coordinates","142592","2020-10-21","18:00:00",""
"1522587","9.279","","3.502","","6.731","","90","","111.77","","90","","203.125","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Mg V2 O6","","- Mg O6 V2 -","- Mg O6 V2 -","- Mg2 O12 V4 -","2","0.25","","Ng, H.N.; Calvo, C.","Crystal structure of and electron spin resonance of Mn2+ in Mg V2 O6","Canadian Journal of Chemistry","1972","50","","3619","3624","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522811","7.29","","7.29","","7.29","","90","","90","","90","","387.42","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mn2 Pu -","- Mn2 Pu -","- Mn16 Pu8 -","8","0.0416667","","Runnalls, O.J.C.","The crystal structures of some intermetallic compounds of plutonium","Canadian Journal of Chemistry","1956","43","","133","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522812","7.16","","7.16","","7.16","","90","","90","","90","","367.062","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Pu -","- Ni2 Pu -","- Ni16 Pu8 -","8","0.0416667","","Runnalls, O.J.C.","The crystal structures of some intermetallic compounds of plutonium","Canadian Journal of Chemistry","1956","34","","133","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522813","4.875","","4.875","","3.97","","90","","90","","120","","81.709","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Pu -","- Ni5 Pu -","- Ni5 Pu -","1","0.0416667","","Runnalls, O.J.C.","The crystal structures of some intermetallic compounds of plutonium","Canadian Journal of Chemistry","1956","34","","133","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522814","8.3","","8.3","","8","","90","","90","","120","","477.284","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni17 Pu2 -","- Ni17 Pu2 -","- Ni34 Pu4 -","2","0.0833333","","Runnalls, O.J.C.","The crystal structures of some intermetallic compounds of plutonium","Canadian Journal of Chemistry","1956","34","","133","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523597","8.098","","8.018","","9.937","","104.08","","99.42","","95.42","","611.275","","","","","","","","","","","","","4","P -1","-P 1","2","","N4 P4 (N C S)8","","- C8 N12 P4 S8 -","- C8 N12 P4 S8 -","- C8 N12 P4 S8 -","1","0.5","","Faught, J.B.","The crystal and molecular structure of tetrameric phosphonitrilic isothiocyanate","Canadian Journal of Chemistry","1972","50","","1315","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","144217","2020-10-21","18:00:00",""
"1523633","10.834","","11.089","","5.517","","90","","90","","90","","662.803","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Re O Cl4 (H2 O)","","- Cl4 H2 O2 Re -","- Cl4 O2 Re -","- Cl16 O8 Re4 -","4","1","","Frais, P.W.; Lock, C.J.L.","The preparation, physical properties, and structure of oxotetrachloroaquorhenium(VI), Re O Cl4 (O H2)","Canadian Journal of Chemistry","1972","50","","1811","1818","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524054","10.878","","4.042","","6.435","","90","","95.28","","90","","281.739","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Hg (S C N)2","","- C2 Hg N2 S2 -","- C2 Hg N2 S2 -","- C4 Hg2 N4 S4 -","2","0.25","","Beauchamp, A.L.; Goutier, D.","Structure cristalline et moleculaire du thiocyanate mercurique","Canadian Journal of Chemistry","1972","50","","977","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524176","5.484","","6.342","","14.034","","90","","90","","90","","488.096","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs V O F4","","- Cs F4 O V -","- Cs F4 O V -","- Cs4 F16 O4 V4 -","4","0.5","","Bushnell, G.W.; Moss, K.C.","The crystal structure of cesium oxotetrafluorovanadate(V)","Canadian Journal of Chemistry","1972","50","","3700","3705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524180","6.112","","12.876","","6.02","","88.3","","95.88","","105.36","","454.435","","","","","","","","","","","","","3","P -1","-P 1","2","","(Re2 O3 Cl6) (Re O3 Cl)2","","- Cl8 O9 Re4 -","- Cl8 O9 Re4 -","- Cl8 O9 Re4 -","1","0.5","","Calvo, C.; Frais, P.W.; Lock, C.J.L.","The structure and physical properties of mue-oxo-bis(oxotrichloro(O-perrhenylchloride)rhenium(VI, and the non-existence of beta-Re O Cl3","Canadian Journal of Chemistry","1972","50","","3607","3618","","","","","","","","","","","","","","","","","","","","","","has coordinates","144864","2020-10-21","18:00:00",""
"1524668","7.025","","8.206","","21.839","","90","","97.98","","90","","1246.77","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K ((I O3) H (I O3))","","- H I2 K O6 -","- H I2 K O6 -","- H8 I16 K8 O48 -","8","2","","Kemper, G.; Vos, A.; Rietveld, H.M.","The crystal structure of potassium hydrogeniodate(V), K I O3 H I O3","Canadian Journal of Chemistry","1972","50","","1134","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526665","10.346","","10.346","","5.152","","90","","90","","90","","551.469","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ti5 Si1.32 Sb1.68","","- Sb1.68 Si1.32 Ti5 -","- Sb1.68 Si1.32 Ti5 -","- Sb6.72 Si5.28 Ti20 -","4","0.125","","Kleinke, H.","Ti5 Si1.3 Sb1.7 - the first titanium silicide antimonide, forming a crystal structure not found in either binary system","Canadian Journal of Chemistry","2001","79","","1338","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","147899","2020-10-21","18:00:00",""
"1527359","9.222","","5.835","","14.698","","90","","105.84","","90","","760.872","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca K2 As2 O7","","- As2 Ca K2 O7 -","- As2 Ca K2 O7 -","- As8 Ca4 K8 O28 -","4","1","","Faggiani, R.; Calvo, C.","Crystal structure of Ca K2 As2 O7 And Cd K2 P2 O7","Canadian Journal of Chemistry","1976","54","","3319","3324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527360","9.737","","5.548","","12.766","","90","","106.5","","90","","661.231","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cd K2 P2 O7","","- Cd K2 O7 P2 -","- Cd K2 O7 P2 -","- Cd4 K8 O28 P8 -","4","0.5","","Faggiani, R.; Calvo, C.","Crystal structure of Ca K2 As2 O7 And Cd K2 P2 O7","Canadian Journal of Chemistry","1976","54","","3319","3324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529566","11.927","","5.67","","4.828","","90","","109.26","","90","","308.225","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Li Cs S O3 (H2 O)2","","- Cs H4 Li O5 S -","- Cs H4 Li O5 S -","- Cs2 H8 Li2 O10 S2 -","2","0.5","","Archer, C.; Durand, J.; Cot, L.; Galigne, J.L.","Sur quelques sulfites de cations monovalents; etude structurale de Li Cs O3 (H2 O)2","Canadian Journal of Chemistry","1979","57","","899","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529587","12.359","","16.48","","9.387","","90","","103.96","","90","","1855.44","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Sb3 Cl10.7 F4.3","","- Cl10.7 F4.3 Sb3 -","- Cl10.7 F4.3 Sb3 -","- Cl42.8 F17.2 Sb12 -","4","1","","Ballard, J.G.; Birchall, T.; Slim, D.R.","The preparation and characterization of Sb3 Cl11 F4","Canadian Journal of Chemistry","1977","55","","743","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529681","9.933","","6.522","","5.475","","90","","90","","90","","354.687","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","(Ru Cl3 (N H3)3)","","- Cl3 H9 N3 Ru -","- Cl3 N3 Ru -","- Cl6 N6 Ru2 -","2","0.5","","Bottomley, F.","On the blue complexes of ruthenium. Part II. The structure of fac-trichlorotriammineruthenium(III)","Canadian Journal of Chemistry","1977","55","","2788","2791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529718","9.676","","6.518","","12.531","","90","","92.98","","90","","789.239","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Cl3 (H2 O) Sn O H)2 (H2 O)4","","- Cl6 H14 O8 Sn2 -","- Cl6 H14 O8 Sn2 -","- Cl12 H28 O16 Sn4 -","2","0.5","","Cameron, T.S.; Knop, O.; Vincent, B.R.","Crystal structure of di-mue-hydroxobis(fac-trichloroaquotin(IV)) tetrahydrate, (Cl3 (H2 O) Sn-O H-)2 (H2 O)4, with observations on O...O distances and MOM angles in di-mue-oxygen bridges","Canadian Journal of Chemistry","1985","63","","759","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529763","8.675","","8.123","","15.786","","90","","90","","90","","1112.39","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Hg Cl2 (C H5 N3 S)2","","- C2 H10 Cl2 Hg N6 S2 -","- C2 H10 Cl2 Hg N6 S2 -","- C8 H40 Cl8 Hg4 N24 S8 -","4","0.5","","Chieh, C.","Synthesis and structure of dichlorobis(thiosemicarbazide) Mercury(II)","Canadian Journal of Chemistry","1977","55","","1583","1587","","","","","","","","","","","","","","","","","","","","","","has coordinates","186643","2020-10-21","18:00:00",""
"1529764","8.966","","6.817","","12.092","","90","","100.3","","90","","727.168","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(S (C N H2) N H N H2) Hg Cl2","","- C H5 Cl2 Hg N3 S -","- C Cl2 Hg N3 S -","- C4 Cl8 Hg4 N12 S4 -","4","1","","Chieh, C.; Cowell, H.","Synthesis and crystal structure of thiosemicarbazidedichloromercury(II)","Canadian Journal of Chemistry","1977","55","","3898","3900","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529765","8.825","","8.587","","15.939","","90","","90","","90","","1207.86","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(S C N H2 N H N H2)2 Hg Br2","","- C2 H10 Br2 Hg N6 S2 -","- C2 H10 Br2 Hg N6 S2 -","- C8 H40 Br8 Hg4 N24 S8 -","4","0.5","","Chieh, C.; Lee, L.P.C.; Chiu, C.","Thiosemicarbazide complexes of mercury(II) halides","Canadian Journal of Chemistry","1978","56","","2526","2529","","","","","","","","","","","","","","","","","","","","","","has coordinates","186643","2020-10-21","18:00:00",""
"1529768","8.787","","11.19","","7.427","","90","","106.46","","90","","700.343","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","S5 N6","","- N6 S5 -","- N6 S5 -","- N24 S20 -","4","0.5","","Chivers, T.; Proctor, J.","Reactions of the tetrasulfur pentanitride(-1)ion with halogens. Synthesis, spectroscopic characterization, and crystal structure of pentasulfur hexanitride","Canadian Journal of Chemistry","1979","57","","1286","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","154379","2020-10-21","18:00:00",""
"1529919","7.328","","7.328","","11.362","","90","","90","","90","","610.135","","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","Pt Cl2 (N H3)2 (O H)2","","- Cl2 H8 N2 O2 Pt -","- Cl2 H10 N2 O2 Pt -","- Cl8 H40 N8 O8 Pt4 -","4","0.5","","Faggiani, R.; Howard-Lock, H.E.; Lock, C.J.L.","Crystalline structure and vibrational spectra of cis-dichlorodiammine-trans-dihydroxoplatinum(IV), Pt Cl2 (N H3)2 (O H)2","Canadian Journal of Chemistry","1982","60","","529","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1529922","8.547","","13.521","","19.551","","90","","100.3","","90","","2222.98","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Sb3 Sb4 F29","","- F29 Sb7 -","- F29 Sb7 -","- F116 Sb28 -","4","1","","Fawcett, J.; Holloway, J.H.; Edwards, A.J.; Russell, D.R.; Khallow, K.I.","Preparations and the crystal structure of 3(Sb F3) 4(Sb F5)","Canadian Journal of Chemistry","1989","67","","2041","2046","","","","","","","","","","","","","","","","","","","","","","has coordinates","154834","2020-10-21","18:00:00",""
"1530184","10.192","","8.037","","7.844","","90","","90","","90","","642.526","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(N H4)2 Al F5 (H2 O)","","- Al F5 H10 N2 O -","- Al F5 H10 N2 O -","- Al4 F20 H40 N8 O4 -","4","0.5","","Knop, O.; Cameron, T.S.; Deraniyagala, S.P.; Adhikesavalu, D.; Falk, M.","... Part XIII. Crystal structure of (N H4)2 (Al F5 (H2 O)) and N H3 D+ probe-ion spectra in (N H4)2 (Al F5 (H2 O)), N H4 Al F4 and (N H4)3 Zn Cl5 with remarks on structural filiation of AMF4 fluorides","Canadian Journal of Chemistry","1985","63","","516","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530185","13.953","","10.086","","7.152","","90","","90","","90","","1006.5","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4)2 (In Cl5 (H2 O))","","- Cl5 H10 In N2 O -","- Cl5 H10 In N2 O -","- Cl20 H40 In4 N8 O4 -","4","0.5","","Knop, O.; Cameron, T.S.; Adhikesavalu, D.; Jenkins, J.A.; Vincent, B.R.","Crystal chemistry of complex indium(III) and other M(III) halides, with a discussion of M-Cl bond lengths in complex M(III) chlorides and of the structures of and hydrogen bonding in (N H4)2 (In Cl5 (H2 O)) Etc.","Canadian Journal of Chemistry","1987","65","","1527","1556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530186","15.659","","15.659","","18.106","","90","","90","","90","","4439.67","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","K3 In Cl6 (H2 O)1.57","","- Cl6 H3.14 In K3 O1.57 -","- Cl6 In K3 O1.57143 -","- Cl84 In14 K42 O22 -","14","0.875","","Knop, O.; Cameron, T.S.; Adhikesavalu, D.; Jenkins, J.A.; Vincent, B.R.","Crystal chemistry of complex indium(III) and other M(III) halides, with a discussion of M-Cl bond lengths in complex M(III) chlorides and of the structures of and hydrogen bonding in (N H4)2 (In Cl5 (H2 O)) Etc.","Canadian Journal of Chemistry","1987","65","","1527","1556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530347","5.445","","7.346","","9.473","","85.89","","83.92","","82.13","","372.601","","","","","","","","","","","","","5","P 1","P 1","1","","S3 N2 N H2 B F4","","- B F4 H2 N3 S3 -","- B F4 H2 N3 S3 -","- B F4 H2 N3 S3 -","1","1","","Marcellus, C.G.; Oakley, R.T.; Cordes, A.W.; Pennington, W.T.","The preparation and the crystal and molecular structure of (S3 N2 N H2)(+) (B F4)(-); a molecular orbital study of the protonation of the trisulphur trinitride anion","Canadian Journal of Chemistry","1984","62","","1822","1827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530361","6.96","","9.15","","7.91","","90","","90","","90","","503.74","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","H5 O2 Sb Cl6","","- Cl6 H5 O2 Sb -","- Cl6 O2 Sb -","- Cl12 O4 Sb2 -","2","0.125","","Matheson, H.M.; Whitla, W.A.","Crystal structure of aquohydronium hexachloroantimonate(V)","Canadian Journal of Chemistry","1978","56","","957","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530419","10.615","","19.095","","9.432","","90","","97.94","","90","","1893.48","","","","","","","","","","","","","3","I 1 c 1","I -2yc","9","","V (P O3)3","","- O9 P3 V -","- O9 P3 V -","- O108 P36 V12 -","12","3","","Middlemiss, N.; Hawthorne, F.C.; Calvo, C.","Crystal structure of vanadium(III)tris(metaphosphate)","Canadian Journal of Chemistry","1977","55","","1673","1679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530471","13.367","","13.367","","19","","90","","90","","120","","2940.03","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Br (Se Br2)2) (As F6)","","- As Br5 F6 Se2 -","- As Br5 F5.99733 Se2 -","- As9 Br45 F53.976 Se18 -","9","0.5","","Murchie, M.; Passmore, J.; White, P.S.","The characterization and X-ray crystal structure of pentabromodiselenium hexafluoroarsenate, Se2 Br5 As F6. Some thermodynamic considerations and the nonexistence of Se2 I5 As F6","Canadian Journal of Chemistry","1987","65","","1584","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530478","8.949","","4.026","","14.93","","90","","90","","90","","537.908","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb Cd Cl3","","- Cd Cl3 Rb -","- Cd Cl3 Rb -","- Cd4 Cl12 Rb4 -","4","0.5","","Natarajan-Iyer, M.; Brown, I.D.; Howard-Lock, H.E.","The crystal structure of Rb Cd Cl3 and the polarized Raman spectra of Rb Cd X3 (X = Cl, Br)","Canadian Journal of Chemistry","1978","56","","1192","1195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530551","9.454","","12.623","","8.272","","90","","90","","90","","987.163","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Se Br3 Sb F6","","- Br3 F6 Sb Se -","- Br3 F6 Sb Se -","- Br12 F24 Sb4 Se4 -","4","1","","Passmore, J.; Richardson, E.K.; Whidden, T.K.; White, P.S.","The X-Ray crystal structures of Se Br3 Sb F6 and Te Br3 As F6","Canadian Journal of Chemistry","1980","58","","851","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530552","7.994","","10.118","","12.306","","90","","99.66","","90","","981.237","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Te Br3 As F6","","- As Br3 F6 Te -","- As Br3 F6 Te -","- As4 Br12 F24 Te4 -","4","1","","Passmore, J.; Whidden, T.K.; Richardson, E.K.; White, P.S.","The X-Ray crystal strucyures of Se Br3 Sb F6 and Te Br3 As F6","Canadian Journal of Chemistry","1980","58","","851","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530553","8.243","","10.755","","12.66","","90","","100.91","","90","","1102.07","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Te I3 As F6","","- As F6 I3 Te -","- As F6 I3 Te -","- As4 F24 I12 Te4 -","4","1","","Passmore, J.; Sutherland, G.W.; White, P.S.","The synthesis and X-Ray crystal structure of triiodotellurium(IV) hexafluoroarsenate(V), Te I3 As F6","Canadian Journal of Chemistry","1981","59","","2876","2878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530554","19.19","","19.19","","8.01","","90","","90","","90","","2949.73","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","(S7 Br)4 S4 (As F6)6","","- As6 Br4 F36 S32 -","- As6 Br4 F36 S32 -","- As12 Br8 F72 S64 -","2","0.25","","Passmore, J.; Wong, C.-M.; Sutherland, G.W.; Whidden, T.K.; White, P.S.","The preparation of S7 Br M F6 (M=As,Sb), and the preparation and crystal structure of (S7 Br)4 S4 (As F6)6 containing the bromo-cycloheptasulphur (1+) cation","Canadian Journal of Chemistry","1985","63","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","155684","2020-10-21","18:00:00",""
"1532030","8.46","","8.46","","8.46","","90","","90","","90","","605.496","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb2 Co F6","","- Co F6 Rb2 -","- Co F6 Rb2 -","- Co4 F24 Rb8 -","4","0.0208333","","Quail, J.W.; Rivett, G.A.","Complex Fluorides of Tetravalent Cobalt","Canadian Journal of Chemistry","1972","50","","2447","2450","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532033","8.914","","8.914","","8.914","","90","","90","","90","","708.301","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 Co F6","","- Co Cs2 F6 -","- Co Cs2 F6 -","- Co4 Cs8 F24 -","4","0.0208333","","Quail, J.W.; Rivett, G.A.","Complex Fluorides of Tetravalent Cobalt","Canadian Journal of Chemistry","1972","50","","2447","2450","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534346","8.14","","5.63","","15.04","","90","","105.13","","90","","665.364","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Zn3 (P O4)2","","- O8 P2 Zn3 -","- O8 P2 Zn3 -","- O32 P8 Zn12 -","4","0.5","","Calvo, C.","The crystal structure of alpha-Zn3 (P O4)2","Canadian Journal of Chemistry","1965","43","","436","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","160935","2020-10-21","18:00:00",""
"1538329","17.11","","17.11","","7.71","","90","","90","","90","","2257.12","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Zr O Cl2 (H2 O)8","","- Cl2 H16 O9 Zr -","- Cl2 O9 Zr -","- Cl16 O72 Zr8 -","8","1","","Mak, T.C.W.","Refinement of the crystal structure of zirconyl chloride octahydrate","Canadian Journal of Chemistry","1968","46","","3491","3497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538395","11.758","","6.486","","13.659","","90","","104.81","","90","","1007.06","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(N H4)4 (P2 O7)","","- H16 N4 O7 P2 -","- H16 N4 O7 P2 -","- H64 N16 O28 P8 -","4","0.5","","Middlemiss, N.; Calvo, C.","Crystal structure of tetraammonium diphosphate, (N H4)4 P2 O7 at 22 C","Canadian Journal of Chemistry","1976","54","","2025","2028","","","","","","","","","","","","","","","","","","","","","","has coordinates","166927","2020-10-21","18:00:00",""
"1538460","8.295","","15.61","","8.39","","81.49","","110.02","","85.06","","998.499","","","","","","","","","","","","","3","P -1","-P 1","2","","I5 Sb F6","","- F6 I5 Sb -","- F6 I5 Sb -","- F18 I15 Sb3 -","3","1.5","","Passmore, J.; Taylor, P.; White, P.S.; Whidden, T.K.","The preparation and crystal structure of pentaiodinium hexafluoroantimonate(V) containing (I15)(3+)","Canadian Journal of Chemistry","1979","57","","968","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538528","6.827","","8.118","","4.576","","90","","108.85","","90","","240.008","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu2 (P2 O7)","","- Cu2 O7 P2 -","- Cu2 O7 P2 -","- Cu4 O14 P4 -","2","0.25","","Robertson, B.E.; Calvo, C.","Crystal structure of beta - Cu2 P2 O7","Canadian Journal of Chemistry","1968","46","","605","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","167143","2020-10-21","18:00:00",""
"1539069","3.65","","3.65","","5.53","","90","","90","","120","","63.803","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Rh Se -","- Rh Se -","- Rh2 Se2 -","2","0.0833333","","Rummery, T.E.; Heyding, R.D.","The rhodium/selenium system","Canadian Journal of Chemistry","1967","45","","131","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539455","5.195","","9.709","","13.861","","90","","110.12","","90","","656.46","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sn (F S O3)2","","- F2 O6 S2 Sn -","- F2 O6 S2 Sn -","- F8 O24 S8 Sn4 -","4","1","","Adams, D.C.; Vekris, J.E.; Birchall, T.; Faggiani, R.; Gillespie, R.J.","The 119Sn Moessbauer and solid-state NMR and the crystal and molecular structure of tin(II) bisfluorosulfate, Sn(OSO2F)2","Canadian Journal of Chemistry","1991","69","","2122","2126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541089","8.137","","9.583","","12.447","","90","","97.36","","90","","962.581","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(S Br3) (Sb F6)","","- Br3 F6 S Sb -","- Br3 F6 S Sb -","- Br12 F24 S4 Sb4 -","4","1","","Passmore, J.; Cameron, T.S.; Way, T.; Boyle, P.D.; Schatte, G.","The preparation and characterization of Se Cl3 Sb F6, improved syntheses of M Cl3 (As/Sb) F6 (M= S, se), and the x-ray crystal structure determination of Se Cl3 As F6 and a new phase of S Br3 Sb F6","Canadian Journal of Chemistry","1996","74","","1671","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541090","7.678","","9.38","","11.92","","90","","98.19","","90","","849.719","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Se Cl3) (As F6)","","- As Cl3 F6 Se -","- As Cl3 F6 Se -","- As4 Cl12 F24 Se4 -","4","1","","Passmore, J.; Schatte, G.; Cameron, T.S.; Boyle, P.D.; Way, T.","The preparation and characterization of Se Cl3 Sb F6, improved syntheses of M Cl3 (As/Sb) F6 (M= S, se), and the x-ray crystal structure determination of Se Cl3 As F6 and a new phase of S Br3 Sb F6","Canadian Journal of Chemistry","1996","74","","1671","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541207","7.898","","13.516","","13.966","","78.07","","73","","88.15","","1394.29","","","","","","","","","","","","","4","P -1","-P 1","2","","(C O)8 (N O)2 Cr2","","- C8 Cr2 N2 O10 -","- C8 Cr2 N2 O10 -","- C32 Cr8 N8 O40 -","4","2","","Masters, A.P.; Parvez, M.; Sorenssen, T.S.","Preparation of Cr2(CO)8(NO)2 and x-ray crystal structures of Cr2(CO)8(NO)2 and Cr2(CO)9NO(-). Stereochemical comparisons to Cr2(CO)10(2-)","Canadian Journal of Chemistry","1991","69","","2136","2141","","","","","","","","","","","","","","","","","","","","","","has coordinates","172484","2020-10-21","18:00:00",""
"1541783","6.046","","6.046","","28.062","","90","","90","","120","","888.353","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Co7.80 As3 O16","","- As3 Co7.8 O16 -","- As3 Co7.83 O16 -","- As9 Co23.49 O48 -","3","0.0833333","","Krishnamachari, N.; Calvo, C.","Crystallographic studies of cobalt arsenates II. Crystal structure of Co8 As3 O16","Canadian Journal of Chemistry","1970","48","","3124","3131","","","","","","","","","","","","","","","","","","","","","","has coordinates","173267","2020-10-21","18:00:00",""
"1541987","8.25","","8.25","","8.25","","90","","90","","90","","561.516","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sn (P2 O7)","","- O7 P2 Sn -","- O7 P2 Sn -","- O28 P8 Sn4 -","4","0.166667","","Huang, C.H.; Knop, O.; Othen, D.A.; Woodhams, F.W.D.; Howie, R.A.","Pyrophosphates of tetravalent elements and a Moessbauer study of Sn P2 O7","Canadian Journal of Chemistry","1975","53","","79","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542050","9.358","","9.358","","9.712","","90","","90","","120","","736.555","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Co (H2 O)6) (Si F6)","","- Co F6 H12 O6 Si -","- Co F6 H12 O6 Si -","- Co3 F18 H36 O18 Si3 -","3","0.166667","","Lynton, H.; Siew, P.Y.","Crystal and molecular structure of hexaaquocobalt(II) hexafluorosilicate(IV), (Co (H2 O)6) (Si F6)","Canadian Journal of Chemistry","1973","51","","227","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542147","7.308","","9.662","","8.025","","90","","106.69","","90","","542.773","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K Al (P2 O7)","","- Al K O7 P2 -","- Al K O7 P2 -","- Al4 K4 O28 P8 -","4","1","","Ng, H.N.; Calvo, C.","The crystal structure of K Al P2 O7","Canadian Journal of Chemistry","1973","51","","2613","2620","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542229","5.969","","10.126","","12.272","","90","","92.87","","90","","740.815","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na4 (As2 O7)","","- As2 Na4 O7 -","- As2 Na4 O7 -","- As8 Na16 O28 -","4","0.5","","Leung, K.Y.; Calvo, C.","Crystal structure and phase transformations of sodium diarsenate, Na4 As2 O7","Canadian Journal of Chemistry","1973","51","","2082","2088","","","","","","","","","","","","","","","","","","","","","","has coordinates","174292","2020-10-21","18:00:00",""
"1559877","22.585","0.003","8.3154","0.001","17.9361","0.0018","90","","106.893","0.006","90","","3223.1","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-((5',5'''?-(4,4,9,9-Tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']- dithiophene-2,7-diyl)bis([2,2'-bithiophene]-5',5-diyl))- bis(methanylylidene))dimalononitrile","","- C72 H82 N4 S6 -","- C72 H82 N4 S6 -","- C144 H164 N8 S12 -","2","0.5","","Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D.","Low-bandgap push‒pull molecules in polymer matrices for use in thin-film organic photovoltaic devices","Canadian Journal of Chemistry","2020","98","","564","574","10.1139/cjc-2020-0081","","x-ray","1.54178","CuKα","","0.1143","0.0603","","","0.1439","0.175","","","","","","1.014","","","","has coordinates,has Fobs","260186","2020-12-29","17:11:19",""
"1559878","11.4541","0.0003","13.8929","0.0003","22.6243","0.0006","86.6407","0.0015","80.1601","0.0014","69.4562","0.0012","3321.66","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","2,2'-((5',5'''?-(6,6,12,12-Tetraoctyl-6,12-dihydroindeno[1,2-b]- fluorene-2,8-diyl)bis([2'',2'''-bithiophene]-5'',5'-diyl))bis- (methanylylidene))dimalononitrile","","- C76 H86 N4 S4 -","- C76 H86 N4 S4 -","- C152 H172 N8 S8 -","2","1","","Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D.","Low-bandgap push‒pull molecules in polymer matrices for use in thin-film organic photovoltaic devices","Canadian Journal of Chemistry","2020","98","","564","574","10.1139/cjc-2020-0081","","x-ray","1.54178","CuKα","","0.1137","0.0951","","","0.2893","0.3025","","","","","","1.073","","","","has coordinates,has Fobs","260187","2020-12-29","17:11:34",""
"1559879","25.6206","0.0005","6.7854","0.0001","9.7945","0.0002","90","","109.419","0.001","90","","1605.87","0.05","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(aqua)-bis(formato)-cobalt [3,3'-bipyridine]-6,6'(1H,1'H)-dione","","- C12 H18 Co N2 O10 -","- C12 H18 Co N2 O10 -","- C48 H72 Co4 N8 O40 -","4","0.5","","Mohan, Midhun; Rana, Love Karan; Maris, Thierry; Duong, Adam","Intercalated 2D+2D hydrogen-bonded sheets in co-crystals of cobalt salt with 1H,1'H-[3,3']bipyridinyl-6,6'-dione","Canadian Journal of Chemistry","2020","98","","347","351","10.1139/cjc-2019-0415","","x-ray","1.54178","CuKα","","0.0287","0.0253","","","0.0684","0.0712","","","","","","1.091","","","","has coordinates,has Fobs","260188","2020-12-29","17:38:26",""
"1566128","8.1759","0.0002","9.4443","0.0002","9.5483","0.0002","69.357","0.001","71.492","0.001","79.676","0.001","652.37","0.03","296","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cu2 N6 O4 S2 -","- C26 H22 Cu2 N6 O4 S2 -","- C26 H22 Cu2 N6 O4 S2 -","1","0.5","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","0.71073","MoKα","","0.0775","0.0368","","0.0615","0.034","0.034","","","","","","1.0534","","","","has coordinates","272245","2022-01-26","10:38:26",""
"1566129","8.1569","0.0009","9.6888","0.001","16.5639","0.0016","75.686","0.004","83.677","0.004","73.445","0.004","1214.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu2 N6 O3 S2 -","- C22 H18 Cu2 N6 O3 S2 -","- C44 H36 Cu4 N12 O6 S4 -","2","1","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","1.54178","CuKα","","0.0546","0.0524","","","0.1708","0.1733","","","","","","1.134","","","","has coordinates","272245","2022-01-26","10:38:30",""
"1566130","8.226","0.0001","10.139","0.0001","11.455","0.0002","105.971","0.0008","107.176","0.0008","102.436","0.0008","830.53","0.02","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Au2 Cu2 N12 O4 -","- C28 H22 Au2 Cu2 N12 O4 -","- C28 H22 Au2 Cu2 N12 O4 -","1","0.5","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","0.71073","MoKα","","0.0206","0.0197","","","0.0467","0.0471","","","","","","1.141","","","","has coordinates","272245","2022-01-26","10:38:40",""
"1566131","22.291","0.002","7.871","0.0007","20.6325","0.0018","90","","118.248","0.004","90","","3188.9","0.5","296","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Au2 Cu2 N12 O2 -","- C28 H18 Au2 Cu2 N12 O2 -","- C112 H72 Au8 Cu8 N48 O8 -","4","0.5","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","0.71073","MoKα","","0.0611","0.0318","","0.0595","0.0283","0.0273","","","","","","1.0177","","","","has coordinates","272245","2022-01-26","10:38:43",""
"1566132","8.534","0.0003","9.2598","0.0003","10.3664","0.0003","69.455","0.002","68.16","0.002","86.479","0.002","709.77","0.04","299","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H34 Cu2 N8 O2 Pt S4 -","- C16 H34 Cu2 N8 O2 Pt S4 -","- C16 H34 Cu2 N8 O2 Pt S4 -","1","0.5","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","0.71073","MoKα","","0.0587","0.0415","","0.0469","0.037","0.0356","","","","","","1.0919","","","","has coordinates","272245","2022-01-26","10:38:53",""
"5000070","10.13","0.001","9.866","0.002","8.445","0.001","90","","106.92","0.01","90","","807.48","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Hrynchuk, Ronald J.; Barton, Richard J.; Robertson, Beverley E.","The crystal structure of free base cocaine, C~17~H~21~NO~4~","Canadian Journal of Chemistry","1983","61","2","481","487","10.1139/v83-085","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000122","25.459","0.001","11.282","0.001","10.768","0.001","90","","95.16","0.01","90","","3080.34","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12.32 N5 O3.66 -","- C8 H12.3333 N5 O3.66667 -","- C96 H148 N60 O44 -","12","3","","Birnbaum, George I.; Cygler, Miroslaw; Shugar, David","Conformational features of acyclonucleosides: structure of acyclovir, an antiherpes agent","Canadian Journal of Chemistry","1984","62","12","2646","2652","10.1139/v84-449","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"9009851","9.424","","9.424","","9.424","","90","","90","","90","","836.962","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Siegenite","- Co Ni2 S4 -","- Co Ni2 S4 -","- Co8 Ni16 S32 -","8","0.0416667","","Huang, C. H.; Knop, O.","Chalkogenides of the transition elements. VIII A X-ray and neutron diffraction study of the spinel CoNi2S4 Sample: examined with X-ray diffraction","Canadian Journal of Chemistry","1971","49","","598","602","10.1139/v71-096","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009852","9.424","","9.424","","9.424","","90","","90","","90","","836.962","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Siegenite","- Co Ni2 S4 -","- Co Ni2 S4 -","- Co8 Ni16 S32 -","8","0.0416667","","Huang, C. H.; Knop, O.","Chalkogenides of the transition elements. VIII A X-ray and neutron diffraction study of the spinel CoNi2S4 Sample: examined with neutron diffraction","Canadian Journal of Chemistry","1971","49","","598","602","10.1139/v71-096","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009853","5.005","","6.182","","3.74","","90","","90","","90","","115.719","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cu Se2 -","- Cu Se2 -","- Cu2 Se4 -","2","0.25","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II Note: low-pressure polymorph, marcasite structure","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009854","6.116","","6.116","","6.116","","90","","90","","90","","228.772","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Krutaite","- Cu Se2 -","- Cu Se2 -","- Cu4 Se8 -","4","0.166667","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II Note: high-pressure polymorph, pyrite structure","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009855","5.765","","5.765","","5.765","","90","","90","","90","","191.601","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Berzelianite","- Cu1.798 Se -","- Cu1.798 Se -","- Cu7.192 Se4 -","4","0.0208333","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2II Locality: synthetic","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009856","6.4024","","6.4024","","4.2786","","90","","90","","90","","175.383","","","","","","","","","","","","Beaverlodge Region, Saskatchewan, Canada","2","P -4 21 m","P -4 2ab","113","","","Umangite","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2II Locality: Beaverlodge Region, Saskatchewan, Canada","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9012406","5.935","","5.935","","5.935","","90","","90","","90","","209.056","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Se2 -","- Ru Se2 -","- Ru4 Se8 -","4","0.166667","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012407","5.946","","5.946","","5.946","","90","","90","","90","","210.22","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Os Se2 -","- Os Se2 -","- Os4 Se8 -","4","0.166667","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012408","5.9665","","5.9665","","5.9665","","90","","90","","90","","212.402","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Sperrylite","- As2 Pt -","- As2 Pt -","- As8 Pt4 -","4","0.166667","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012409","5.968","","5.968","","5.968","","90","","90","","90","","212.562","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Sperrylite","- As2 Pt -","- As2 Pt -","- As8 Pt4 -","4","0.166667","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012410","5.77","","5.838","","11.419","","90","","90","","90","","384.652","","","","","","","","","","","","Synthetic","2","P b c a","-P 2ac 2ab","61","","","Pararammelsbergite","- As2 Ni -","- As2 Ni -","- As16 Ni8 -","8","1","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012411","7.032","","8.674","","5.496","","90","","90","","90","","335.232","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Avogadrite","- B F4 K -","- B F4 K -","- B4 F16 K4 -","4","0.5","","Clark, M. J. R.; Lynton, H.","Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates Locality: synthetic","Canadian Journal of Chemistry","1969","47","","2579","2586","10.1139/v69-426","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012412","7.278","","9.072","","5.678","","90","","90","","90","","374.896","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Barberiite","- B F4 N -","- B F4 N -","- B4 F16 N4 -","4","0.5","","Clark, M. J. R.; Lynton, H.","Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates","Canadian Journal of Chemistry","1969","47","","2579","2586","10.1139/v69-426","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012413","7.296","","9.108","","5.636","","90","","90","","90","","374.523","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- B F4 Rb -","- B F4 Rb -","- B4 F16 Rb4 -","4","0.5","","Clark, M. J. R.; Lynton, H.","Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates","Canadian Journal of Chemistry","1969","47","","2579","2586","10.1139/v69-426","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012414","7.647","","9.675","","5.885","","90","","90","","90","","435.4","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- B Cs F4 -","- B Cs F4 -","- B4 Cs4 F16 -","4","0.5","","Clark, M. J. R.; Lynton, H.","Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates","Canadian Journal of Chemistry","1969","47","","2579","2586","10.1139/v69-426","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012415","10.35","","10.35","","37.085","","90","","90","","120","","3440.41","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9 H Mg O28 P7 -","- Ca9 Mg O28 P7 -","- Ca54 Mg6 O168 P42 -","6","0.333333","","Gopal, R.; Calvo, C.; Ito, J.; Sabine, W. K.","Crystal structure of synthetic Mg-whitlockite, Ca18Mg2H2(PO4)14","Canadian Journal of Chemistry","1974","52","","1155","1164","10.1139/v74-181","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013462","6.327","","8.642","","11.313","","90","","92.04","","90","","618.179","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Lammerite-beta","- As2 Cu3 O8 -","- As2 Cu3 O8 -","- As8 Cu12 O32 -","4","1","","Poulsen, S. J.; Calvo, C.","Crystal structure of Cu3(AsO4)2","Canadian Journal of Chemistry","1968","46","","917","927","10.1139/v68-153","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013969","10.247","","9.202","","12.226","","90","","95.11","","90","","1148.24","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Agricolaite","- C3 K4 O11 U -","- C3 K4 O11 U -","- C12 K16 O44 U4 -","4","0.5","","Anderson, A.; Chieh, C.; Irish, D. E.; Tong, J. P. K.","An X-ray crystallographic, Raman, and infrared spectral study of crystalline potassium uranyl carbonate, K4UO2(CO3)3","Canadian Journal of Chemistry","1980","58","","1651","1658","10.1139/v80-264","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014013","2.588","","2.588","","4.226","","90","","90","","120","","24.513","","","","","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Algodonite","- As0.111 Cu0.889 -","- As0.111 Cu0.889 -","- As0.222 Cu1.778 -","2","0.0833333","","Heyding, R. D.; Despault, G. J. G.","The copper/arsenic system and the copper arsenide minerals","Canadian Journal of Chemistry","1960","38","","2477","2481","10.1139/v60-335","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014033","5.563","","5.541","","16.115","","90","","96.35","","90","","493.691","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","Thomsenolite","- Al Ca F6 H2 Na O -","- Al Ca F6 H2 Na O -","- Al4 Ca4 F24 H8 Na4 O4 -","4","1","","Adhikesavalu, D.; Cameron, T. S.; Knop, O.","Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite","Canadian Journal of Chemistry","1985","63","","3322","3327","10.1139/v85-550","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014475","13.3689","","7.1607","","7.1027","","90","","105.935","","90","","653.819","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","Chervetite","- O7 Pb2 V2 -","- O7 Pb2 V2 -","- O28 Pb8 V8 -","4","1","","Shannon, R. D.; Calvo, C.","Refinement of the crystal structure of synthetic chervetite, Pb2V2O7","Canadian Journal of Chemistry","1973","51","","70","76","10.1139/v73-010","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015127","6.2493","","7.9936","","6.3776","","90","","111.49","","90","","296.441","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Pseudolyonsite","- Cu3 O8 V2 -","- Cu3 O8 V2 -","- Cu6 O16 V4 -","2","0.5","","Shannon, R. D.; Calvo, C.","Crystal structure of a new form of Cu3V2O8","Canadian Journal of Chemistry","1972","50","","3944","3949","10.1139/v72-625","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9017395","5.62","","3.58","","6","","90","","90","","90","","120.718","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Cherepanovite","- As Rh -","- As Rh -","- As4 Rh4 -","4","0.5","","Heyding, R. D.; Calvert, L. D.","Arsenides of the transition metals IV. A note on the platinum metal arsenides","Canadian Journal of Chemistry","1961","39","","955","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""