Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica, Section B' volume of publication is 56
COD ID: 2101955 | |
CIF file | Formula: - C6 H16 N2 O6 - Comments: Benabicha, Farid; Pichon-Pesme, Virginie; Jelsch, Christian; Lecomte, Claude; Khmou, Ahmed Experimental charge density and electrostatic potential of glycyl-<small>L</small>-threonine dihydrate Acta Crystallographica Section B 56(1) (2000) 155-165 Space group: P 21 21 21 Cell volume: 1013.6 Cell parameters: 9.572; 10.039; 10.548; 90; 90; 90; |
COD ID: 2101956 | |
CIF file | Formula: - C24 H50 N4 O8 - Comments: Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher Two different three-dimensional hydrogen-bonded framework structures in two hydrated adducts <i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane‒terephthalic acid‒water (1/1/4) and (1/1/6) Acta Crystallographica Section B 56(1) (2000) 85-93 Space group: P 1 21/n 1 Cell volume: 2812.67 Cell parameters: 13.3213; 14.0499; 16.0491; 90; 110.549; 90; |
COD ID: 2101957 | |
CIF file | Formula: - C24 H54 N4 O10 - Comments: Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher Two different three-dimensional hydrogen-bonded framework structures in two hydrated adducts <i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane‒terephthalic acid‒water (1/1/4) and (1/1/6) Acta Crystallographica Section B 56(1) (2000) 85-93 Space group: P 1 21/c 1 Cell volume: 1535.04 Cell parameters: 8.1772; 12.3974; 16.8804; 90; 116.231; 90; |
COD ID: 2101958 | |
CIF file | Formula: - C11 H11 N O2 - Comments: Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) Acta Crystallographica Section B 56(1) (2000) 94-111 Space group: P 1 21/c 1 Cell volume: 975.18 Cell parameters: 8.542; 13.408; 8.638; 90; 99.7; 90; |
COD ID: 2101959 | |
CIF file | Formula: - C11 H11 N O2 - Comments: Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) Acta Crystallographica Section B 56(1) (2000) 94-111 Space group: P 1 21/n 1 Cell volume: 974.27 Cell parameters: 8.68; 7.624; 15.044; 90; 101.87; 90; |
COD ID: 2101960 | |
CIF file | Formula: - C11 H11 N O2 - Comments: Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) Acta Crystallographica Section B 56(1) (2000) 94-111 Space group: P b c a Cell volume: 1928.3 Cell parameters: 6.216; 38.627; 8.031; 90; 90; 90; |
COD ID: 2101961 | |
CIF file | Formula: - C11 H11 N O2 - Comments: Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) Acta Crystallographica Section B 56(1) (2000) 94-111 Space group: P 1 21/c 1 Cell volume: 954 Cell parameters: 19.353; 5.074; 10.275; 90; 109; 90; |
COD ID: 2101962 | |
CIF file | Formula: - C12 H13 N O2 - Comments: Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) Acta Crystallographica Section B 56(1) (2000) 94-111 Space group: P 1 21/n 1 Cell volume: 992.72 Cell parameters: 9.288; 7.44; 14.776; 90; 103.53; 90; |
COD ID: 2101963 | |
CIF file | Formula: - C12 H13 N O2 - Comments: Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) Acta Crystallographica Section B 56(1) (2000) 94-111 Space group: P 1 21/c 1 Cell volume: 1032.8 Cell parameters: 22.455; 5.286; 9.313; 90; 110.89; 90; |
COD ID: 2101964 | |
CIF file | Formula: - C10 H9 N O2 - Comments: Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) Acta Crystallographica Section B 56(1) (2000) 94-111 Space group: P 1 21/c 1 Cell volume: 841.66 Cell parameters: 17.81; 5.175; 9.534; 90; 106.7; 90; |
COD ID: 2101965 | |
CIF file | Formula: - C46 H104 N14 O12 - Comments: Feng Xue; Thomas C. W. Mak Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water Acta Crystallographica Section B 56(1) (2000) 142-154 Space group: P -1 Cell volume: 1503.6 Cell parameters: 8.39; 9.894; 18.908; 105.06; 94.91; 93.82; |
COD ID: 2101966 | |
CIF file | Formula: - C25 H58 N4 O10 - Comments: Feng Xue; Thomas C. W. Mak Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water Acta Crystallographica Section B 56(1) (2000) 142-154 Space group: P -1 Cell volume: 1697.7 Cell parameters: 9.432; 12.601; 14.804; 79.98; 79.2; 84.18; |
COD ID: 2101967 | |
CIF file | Formula: - C35 H86 N7 O15.5 - Comments: Feng Xue; Thomas C. W. Mak Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water Acta Crystallographica Section B 56(1) (2000) 142-154 Space group: P -1 Cell volume: 2478.1 Cell parameters: 13.25; 14.034; 15.26; 72.46; 78.32; 66.95; |
COD ID: 2101968 | |
CIF file | Formula: - C35 H78 N6 O13 - Comments: Feng Xue; Thomas C. W. Mak Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water Acta Crystallographica Section B 56(1) (2000) 142-154 Space group: P n a 21 Cell volume: 4549.2 Cell parameters: 16.467; 33.109; 8.344; 90; 90; 90; |
COD ID: 2101969 | |
CIF file | Formula: - C7 H16 Br N O2 - Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B 56(1) (2000) 124-131 Space group: P 1 21/n 1 Cell volume: 1048.1 Cell parameters: 6.793; 13.85; 11.42; 90; 102.71; 90; |
COD ID: 2101970 | |
CIF file | Formula: - C9 H20 Br N O2 - Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B 56(1) (2000) 124-131 Space group: P -1 Cell volume: 621.6 Cell parameters: 6.771; 7.599; 12.273; 94.17; 92.04; 98.83; |
COD ID: 2101971 | |
CIF file | Formula: - C10 H22 Br N O2 - Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B 56(1) (2000) 124-131 Space group: P -1 Cell volume: 679.3 Cell parameters: 6.739; 7.525; 13.67; 85.61; 86.18; 79.81; |
COD ID: 2101972 | |
CIF file | Formula: - C11 H24 Br N O2 - Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B 56(1) (2000) 124-131 Space group: P -1 Cell volume: 718.1 Cell parameters: 6.872; 7.519; 14.107; 85.59; 87.2; 81.44; |
COD ID: 2101973 | |
CIF file | Formula: - C5 H12 Br N O2 - Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B 56(1) (2000) 124-131 Space group: P 1 21/c 1 Cell volume: 825.2 Cell parameters: 7.613; 9.236; 11.853; 90; 98.08; 90; |
COD ID: 2101974 | |
CIF file | Formula: - C18 H38 Br N O2 - Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B 56(1) (2000) 124-131 Space group: P -1 Cell volume: 1060.9 Cell parameters: 6.778; 7.484; 21.348; 87.34; 86.96; 79.04; |
COD ID: 2101975 | |
CIF file | Formula: - C20 H42 Br N O2 - Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B 56(1) (2000) 124-131 Space group: P -1 Cell volume: 1150.3 Cell parameters: 6.762; 7.466; 23.4; 86.9; 83.14; 78.87; |
COD ID: 2101976 | |
CIF file | Formula: - C40 H56 N4 O4 - Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B 56(1) (2000) 39-57 Space group: P -1 Cell volume: 909.8 Cell parameters: 8.6323; 9.943; 12.582; 98.783; 102.785; 115.746; |
COD ID: 2101977 | |
CIF file | Formula: - C42 H64 N4 O6 S2 - Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B 56(1) (2000) 39-57 Space group: P 1 21/c 1 Cell volume: 2169.3 Cell parameters: 10.659; 17.892; 11.679; 90; 103.107; 90; |
COD ID: 2101978 | |
CIF file | Formula: - C42 H64 N4 O10 S2 - Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B 56(1) (2000) 39-57 Space group: P 1 21/c 1 Cell volume: 2212.5 Cell parameters: 10.7736; 18.1167; 11.5532; 90; 101.136; 90; |
COD ID: 2101979 | |
CIF file | Formula: - C32 H56 N4 O8 - Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B 56(1) (2000) 39-57 Space group: P -1 Cell volume: 853.89 Cell parameters: 8.0814; 10.1981; 10.78; 79.789; 80.728; 80.28; |
COD ID: 2101980 | |
CIF file | Formula: - C31 H52 N4 O7 - Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B 56(1) (2000) 39-57 Space group: P -1 Cell volume: 1618.43 Cell parameters: 9.4481; 9.8905; 18.0942; 88.704; 78.675; 77.525; |
COD ID: 2101981 | |
CIF file | Formula: - C40 H68 N4 O14 P4 - Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B 56(1) (2000) 39-57 Space group: P 1 21/c 1 Cell volume: 2354.57 Cell parameters: 8.7391; 26.1558; 10.7871; 90; 107.267; 90; |
COD ID: 2101982 | |
CIF file | Formula: - C30 H48 N4 O8 - Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B 56(1) (2000) 39-57 Space group: P 1 21/c 1 Cell volume: 1514.3 Cell parameters: 8.9162; 11.8903; 14.5229; 90; 100.419; 90; |
COD ID: 2101983 | |
CIF file | Formula: - C52 H66 N4 O6 - Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B 56(1) (2000) 39-57 Space group: P 1 21/c 1 Cell volume: 2282.7 Cell parameters: 9.9634; 18.8981; 12.2344; 90; 97.725; 90; |
COD ID: 2101984 | |
CIF file | Formula: - C15 H13 N O2 S - Comments: Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione Acta Crystallographica Section B 56(1) (2000) 58-67 Space group: P b c a Cell volume: 2493.4 Cell parameters: 21.595; 14.518; 7.953; 90; 90; 90; |
COD ID: 2101985 | |
CIF file | Formula: - C13 H9 N O3 S - Comments: Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione Acta Crystallographica Section B 56(1) (2000) 58-67 Space group: P 1 21/a 1 Cell volume: 1216 Cell parameters: 7.51; 21.16; 7.66; 90; 92.043; 90; |
COD ID: 2101986 | |
CIF file | Formula: - C10 H8 N2 O4 S - Comments: Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione Acta Crystallographica Section B 56(1) (2000) 58-67 Space group: P 1 21/a 1 Cell volume: 1068 Cell parameters: 7.918; 13.132; 10.983; 90; 110.7; 90; |
COD ID: 2101987 | |
CIF file | Formula: - H3.6 O24 Si11.04 - Comments: Artioli, G.; Lamberti, C.; Marra, G.L. Neutron powder diffraction study of orthorhombic and monoclinic defective silicalite Acta Crystallographica Section B 56(1) (2000) 2-10 Space group: P n m a Cell volume: 5327.64 Cell parameters: 20.0511; 19.8757; 13.36823; 90; 90; 90; |
COD ID: 2101988 | |
CIF file | Formula: - H3.6 O24 Si11.04 - Comments: Artioli, G.; Lamberti, C.; Marra, G.L. Neutron powder diffraction study of orthorhombic and monoclinic defective silicalite Acta Crystallographica Section B 56(1) (2000) 2-10 Space group: P 1 21/n 1 Cell volume: 5322.77 Cell parameters: 19.8352; 20.0903; 13.3588; 90; 90.892; 90; |
COD ID: 2101989 | |
CIF file | Formula: - C15 H14 O3 S - Comments: Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J. Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones Acta Crystallographica Section B 56(1) (2000) 112-117 Space group: P 1 21/n 1 Cell volume: 2708.7 Cell parameters: 10.4698; 10.277; 25.449; 90; 98.429; 90; |
COD ID: 2101990 | |
CIF file | Formula: - C15 H13 N O5 S - Comments: Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J. Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones Acta Crystallographica Section B 56(1) (2000) 112-117 Space group: P 21 21 21 Cell volume: 1457.4 Cell parameters: 5.5704; 8.619; 30.356; 90; 90; 90; |
COD ID: 2101991 | |
CIF file | Formula: - C15 H13 N O5 S - Comments: Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J. Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones Acta Crystallographica Section B 56(1) (2000) 112-117 Space group: P -1 Cell volume: 724.64 Cell parameters: 6.7468; 7.4303; 15.201; 85.25; 79.56; 75.39; |
COD ID: 2101992 | |
CIF file | Formula: - C40 H43 N3 O12 S3 - Comments: Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Campana, Charles F. Supramolecular chemistry of amine‒phenol adducts; novel three-dimensional framework structures in adducts of bis(2-aminoethyl)amine with 4,4'-sulfonyldiphenol, 1,1,1-tris(4-hydroxyphenyl)ethane and 3,5-dihydroxybenzoic acid, and in the methanol-solvated adduct of tris(2-aminoethyl)amine with 4,4'-biphenol Acta Crystallographica Section B 56(1) (2000) 68-84 Space group: P c c n Cell volume: 3998.5 Cell parameters: 13.7305; 14.9948; 19.4209; 90; 90; 90; |
COD ID: 2101993 | |
CIF file | Formula: - C85 H89 N3 O13 - Comments: Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Campana, Charles F. Supramolecular chemistry of amine‒phenol adducts; novel three-dimensional framework structures in adducts of bis(2-aminoethyl)amine with 4,4'-sulfonyldiphenol, 1,1,1-tris(4-hydroxyphenyl)ethane and 3,5-dihydroxybenzoic acid, and in the methanol-solvated adduct of tris(2-aminoethyl)amine with 4,4'-biphenol Acta Crystallographica Section B 56(1) (2000) 68-84 Space group: P -1 Cell volume: 1813.9 Cell parameters: 10.7171; 11.2112; 15.5547; 101.069; 92.924; 97.291; |
COD ID: 2101994 | |
CIF file | Formula: - C18 H25 N3 O8 - Comments: Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Campana, Charles F. Supramolecular chemistry of amine‒phenol adducts; novel three-dimensional framework structures in adducts of bis(2-aminoethyl)amine with 4,4'-sulfonyldiphenol, 1,1,1-tris(4-hydroxyphenyl)ethane and 3,5-dihydroxybenzoic acid, and in the methanol-solvated adduct of tris(2-aminoethyl)amine with 4,4'-biphenol Acta Crystallographica Section B 56(1) (2000) 68-84 Space group: P 1 21/c 1 Cell volume: 1981.1 Cell parameters: 8.2469; 10.527; 23.052; 90; 98.144; 90; |
COD ID: 2101995 | |
CIF file | Formula: - C86 H104 N8 O14 - Comments: Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Campana, Charles F. Supramolecular chemistry of amine‒phenol adducts; novel three-dimensional framework structures in adducts of bis(2-aminoethyl)amine with 4,4'-sulfonyldiphenol, 1,1,1-tris(4-hydroxyphenyl)ethane and 3,5-dihydroxybenzoic acid, and in the methanol-solvated adduct of tris(2-aminoethyl)amine with 4,4'-biphenol Acta Crystallographica Section B 56(1) (2000) 68-84 Space group: P 1 21 1 Cell volume: 3937.52 Cell parameters: 10.0041; 41.5502; 10.2715; 90; 112.746; 90; |
COD ID: 2101996 | |
CIF file | Formula: - N Na O2 - Comments: Gohda, Takashi X-ray study of deformation density and spontaneous polarization in ferroelectric NaNO~2~ Acta Crystallographica Section B 56(1) (2000) 11-16 Space group: I m 2 m Cell volume: 104.01 Cell parameters: 3.5024; 5.5209; 5.3789; 90; 90; 90; |
COD ID: 2101997 | |
CIF file | Formula: - Br2 Co0.5 Rb - Comments: Friese, K.; Madariaga, G.; Breczewski, T. Incommensurately modulated phase of Rb~2~CoBr~4~ at 295 and 200K Acta Crystallographica Section B 56(1) (2000) 17-21 Space group: P n a m Cell volume: 992.8 Cell parameters: 9.732; 13.328; 7.654; 90; 90; 90; |
COD ID: 2101998 | |
CIF file | Formula: - Br4 Co Rb2 - Comments: Friese, K.; Madariaga, G.; Breczewski, T. Incommensurately modulated phase of Rb~2~CoBr~4~ at 295 and 200K Acta Crystallographica Section B 56(1) (2000) 17-21 Space group: P n a m Cell volume: 981.8 Cell parameters: 9.691; 13.278; 7.63; 90; 90; 90; |
COD ID: 2101999 | |
CIF file | Formula: - Hf0.8 O3 Pb Ti0.2 - Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38 Space group: R 3 c :H Cell volume: 413.259 Cell parameters: 5.7827; 5.7827; 14.2702; 90; 90; 120; |
COD ID: 2102000 | |
CIF file | Formula: - Hf0.8 O3 Pb Ti0.2 - Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38 Space group: R 3 c :H Cell volume: 413.984 Cell parameters: 5.7871; 5.7871; 14.2735; 90; 90; 120; |
COD ID: 2102001 | |
CIF file | Formula: - Hf0.8 O3 Pb Ti0.2 - Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38 Space group: R 3 c :H Cell volume: 415.035 Cell parameters: 5.7943; 5.7943; 14.2742; 90; 90; 120; |
COD ID: 2102002 | |
CIF file | Formula: - Hf0.8 O3 Pb Ti0.2 - Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38 Space group: R 3 c :H Cell volume: 415.94 Cell parameters: 5.8025; 5.8025; 14.2648; 90; 90; 120; |
COD ID: 2102003 | |
CIF file | Formula: - Hf0.8 O3 Pb Ti0.2 - Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38 Space group: P m -3 m Cell volume: 69.285 Cell parameters: 4.1072; 4.1072; 4.1072; 90; 90; 90; |
COD ID: 2102004 | |
CIF file | Formula: - Cu6 O8 Pb - Comments: Winkler, Björn; Chall, Michael; Pickard, Chris J.; Milman, Victor; White, Jim Structure of Cu~6~PbO~8~ Acta Crystallographica Section B 56(1) (2000) 22-26 Space group: F m -3m Cell volume: 807.99 Cell parameters: 9.314; 9.314; 9.314; 90; 90; 90; |
COD ID: 2102005 | |
CIF file | Formula: - Cu6 O8 Pb - Comments: Winkler, Björn; Chall, Michael; Pickard, Chris J.; Milman, Victor; White, Jim Structure of Cu~6~PbO~8~ Acta Crystallographica Section B 56(1) (2000) 22-26 Space group: F m -3m Cell volume: 641.2 Cell parameters: 8.623; 8.623; 8.623; 90; 90; 90; |
COD ID: 2102006 | |
CIF file | Formula: - F Nb O2 - Comments: Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B 56(2) (2000) 189-196 Space group: R -3 c Cell volume: 356.768 Cell parameters: 5.52; 5.52; 13.52; 90; 90; 120; |
COD ID: 2102007 | |
CIF file | Formula: - F Nb O2 - Comments: Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B 56(2) (2000) 189-196 Space group: R -3 c Cell volume: 330.45 Cell parameters: 5.3067; 5.3067; 13.5495; 90; 90; 120; |
COD ID: 2102008 | |
CIF file | Formula: - F Nb O2 - Comments: Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B 56(2) (2000) 189-196 Space group: R -3 c Cell volume: 321.78 Cell parameters: 5.2357; 5.2357; 13.5542; 90; 90; 120; |
COD ID: 2102009 | |
CIF file | Formula: - F Nb O2 - Comments: Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B 56(2) (2000) 189-196 Space group: R -3 c Cell volume: 309.18 Cell parameters: 5.1232; 5.1232; 13.6017; 90; 90; 120; |
COD ID: 2102010 | |
CIF file | Formula: - F Nb O2 - Comments: Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B 56(2) (2000) 189-196 Space group: R -3 c Cell volume: 289.61 Cell parameters: 4.9462; 4.9462; 13.6689; 90; 90; 120; |
COD ID: 2102011 | |
CIF file | Formula: - F Nb O2 - Comments: Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B 56(2) (2000) 189-196 Space group: R -3 c Cell volume: 279.68 Cell parameters: 4.8552; 4.8552; 13.7; 90; 90; 120; |
COD ID: 2102012 | |
CIF file | Formula: - F Nb O2 - Comments: Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B 56(2) (2000) 189-196 Space group: R -3 c Cell volume: 276.26 Cell parameters: 4.8232; 4.8232; 13.7125; 90; 90; 120; |
COD ID: 2102013 | |
CIF file | Formula: - C8 H9 N O2 - Comments: Boldyreva, Elena V.; Shakhtshneider, Tatiana P.; Vasilchenko, Marina A.; Ahsbahs, Hans; Uchtmann, H. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures Acta Crystallographica Section B 56(2) (2000) 299-309 Space group: P 1 21/n 1 Cell volume: 711.7 Cell parameters: 6.98; 8.915; 11.566; 90; 98.54; 90; |
COD ID: 2102014 | |
CIF file | Formula: - C8 H9 N O2 - Comments: Boldyreva, Elena V.; Shakhtshneider, Tatiana P.; Vasilchenko, Marina A.; Ahsbahs, Hans; Uchtmann, H. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures Acta Crystallographica Section B 56(2) (2000) 299-309 Space group: P 1 21/n 1 Cell volume: 672.01 Cell parameters: 6.885; 8.5819; 11.519; 90; 99.12; 90; |
COD ID: 2102015 | |
CIF file | Formula: - C8 H9 N O2 - Comments: Boldyreva, Elena V.; Shakhtshneider, Tatiana P.; Vasilchenko, Marina A.; Ahsbahs, Hans; Uchtmann, H. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures Acta Crystallographica Section B 56(2) (2000) 299-309 Space group: P 1 21/n 1 Cell volume: 651.43 Cell parameters: 6.82; 8.374; 11.559; 90; 99.32; 90; |
COD ID: 2102016 | |
CIF file | Formula: - C8 H9 N O2 - Comments: Boldyreva, Elena V.; Shakhtshneider, Tatiana P.; Vasilchenko, Marina A.; Ahsbahs, Hans; Uchtmann, H. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures Acta Crystallographica Section B 56(2) (2000) 299-309 Space group: P 1 21/n 1 Cell volume: 621.9 Cell parameters: 6.625; 7.985; 11.916; 90; 99.41; 90; |
COD ID: 2102017 | |
CIF file | Formula: - Ce0.33333 Nb O3 - Comments: Bridges, C.; Greedan, J. E.; Barbier, J. Structure of the defect perovskite Ce~1/3~NbO~3~: a redetermination by electron and neutron powder diffraction Acta Crystallographica Section B 56(2) (2000) 183-188 Space group: P 1 2/m 1 Cell volume: 240.664 Cell parameters: 5.5267; 7.8824; 5.5245; 90; 90.294; 90; |
COD ID: 2102018 | |
CIF file | Formula: - C39.5 H64 Cs2 P2 - Comments: Rheingold, A. L.; Concolino, T. E.; Lam, K.-C.; Guzei, I. A.; Rabe, G. W.; Heise, H. Two phases of {[CsPH(η^6^-2,4,6-<i>^t^</i>Bu~3~C~6~H~2~)]~2~(η^3^-toluene)~0.5~}~<i>x~</i>: their structures and interconversions Acta Crystallographica Section B 56(2) (2000) 210-214 Space group: P -1 Cell volume: 4174.81 Cell parameters: 14.6241; 14.7393; 22.072; 72.2117; 73.3659; 70.2953; |
COD ID: 2102019 | |
CIF file | Formula: - C148 H132 N2 O16 Si12 - Comments: O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B 56(2) (2000) 273-286 Space group: P -1 Cell volume: 3402.7 Cell parameters: 14.2354; 15.296; 18.747; 71.764; 88.862; 62.544; |
COD ID: 2102020 | |
CIF file | Formula: - C87 H79 N3 O8 Si6 - Comments: O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B 56(2) (2000) 273-286 Space group: P -1 Cell volume: 1968.6 Cell parameters: 10.7764; 12.8122; 15.1733; 91.999; 94.851; 109.063; |
COD ID: 2102021 | |
CIF file | Formula: - C30 H34 N4 O3 Si2 - Comments: O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B 56(2) (2000) 273-286 Space group: P 1 21/c 1 Cell volume: 2961.4 Cell parameters: 16.1555; 8.4622; 21.8427; 90; 97.386; 90; |
COD ID: 2102022 | |
CIF file | Formula: - C34 H30 N2 O3 Si2 - Comments: O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B 56(2) (2000) 273-286 Space group: P -1 Cell volume: 1523.5 Cell parameters: 8.9245; 10.19; 17.366; 99.57; 100.519; 93.8; |
COD ID: 2102023 | |
CIF file | Formula: - C52 H48 N2 O6 Si4 - Comments: O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B 56(2) (2000) 273-286 Space group: P -1 Cell volume: 1199.8 Cell parameters: 8.8365; 10.8028; 13.3231; 108.74; 89.774; 94.792; |
COD ID: 2102024 | |
CIF file | Formula: - C29 H27 N O3 Si2 - Comments: O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B 56(2) (2000) 273-286 Space group: P -1 Cell volume: 671 Cell parameters: 6.4469; 10.2837; 10.6088; 74.645; 81.968; 85.511; |
COD ID: 2102025 | |
CIF file | Formula: - C28 H26 N2 O3 Si2 - Comments: O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B 56(2) (2000) 273-286 Space group: P -1 Cell volume: 662.32 Cell parameters: 6.4358; 10.2497; 10.4056; 76; 84.438; 86.372; |
COD ID: 2102026 | |
CIF file | Formula: - C30 H22 N4 O8 - Comments: Lough, Alan J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher Hydrogen-bonding behaviour of benzene-1,2,4,5-tetracarboxylic acid: supramolecular structures of different dimensionality in the 2:1 adducts formed with 4,4'-bipyridyl and hexamethylenetetramine Acta Crystallographica Section B 56(2) (2000) 261-272 Space group: P -1 Cell volume: 620.92 Cell parameters: 7.3974; 9.6352; 10.1688; 64.872; 72.375; 76.612; |
COD ID: 2102027 | |
CIF file | Formula: - C22 H30 N8 O8 - Comments: Lough, Alan J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher Hydrogen-bonding behaviour of benzene-1,2,4,5-tetracarboxylic acid: supramolecular structures of different dimensionality in the 2:1 adducts formed with 4,4'-bipyridyl and hexamethylenetetramine Acta Crystallographica Section B 56(2) (2000) 261-272 Space group: P -1 Cell volume: 1688.55 Cell parameters: 9.7029; 10.9369; 16.7647; 84.271; 79.399; 75.264; |
COD ID: 2102028 | |
CIF file | Formula: - C57 H104 O6 - Comments: Culot, Christine; Norberg, Bernadette; Evrard, Guy; Durant, Francois Molecular analysis of the β-polymorphic form of trielaidin: crystal structure at low temperature Acta Crystallographica Section B 56(2) (2000) 317-321 Space group: P -1 Cell volume: 2798 Cell parameters: 11.665; 44.933; 5.432; 87.034; 100.17; 89.09; |
COD ID: 2102029 | |
CIF file | Formula: - C24 H24 B N - Comments: Steiner, Thomas; Mason, Sax A. Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction Acta Crystallographica Section B 56(2) (2000) 254-260 Space group: I -4 2 m Cell volume: 989.79 Cell parameters: 11.1208; 11.1208; 8.0033; 90; 90; 90; |
COD ID: 2102030 | |
CIF file | Formula: - C24 H24 B N - Comments: Steiner, Thomas; Mason, Sax A. Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction Acta Crystallographica Section B 56(2) (2000) 254-260 Space group: I -4 2 m Cell volume: 1017.5 Cell parameters: 11.2255; 11.2255; 8.0745; 90; 90; 90; |
COD ID: 2102031 | |
CIF file | Formula: - C4 H12 Cd Cl3 N - Comments: Peral, I.; Madariaga, G.; Perez-Etxebarria, A.; Breczewski, T. X-ray diffraction study of the phase transitions of (CH~3~)~4~NCdCl~3~ between 293 and 80K: a quantitative analysis of the ferroelastic domains distribution below 118K Acta Crystallographica Section B 56(2) (2000) 215-225 Space group: P 63/m Cell volume: 484.5 Cell parameters: 9.126; 9.126; 6.718; 90; 90; 120; |
COD ID: 2102032 | |
CIF file | Formula: - C48 H58 N6 O8 S2 - Comments: Glidewell, Christopher; Ferguson, George; Lough, Alan J.; Gregson, Richard M. 3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14^]triconta-1(26),11(29),12,14(30),24,27-hexaene, C~24~H~38~N~6~, as a building block in supramolecular chemistry: structures in two and three dimensions Acta Crystallographica Section B 56(2) (2000) 287-298 Space group: P 1 21/n 1 Cell volume: 4622.98 Cell parameters: 18.0527; 13.1074; 20.5723; 90; 108.252; 90; |
COD ID: 2102033 | |
CIF file | Formula: - C60 H72 N6 O8 - Comments: Glidewell, Christopher; Ferguson, George; Lough, Alan J.; Gregson, Richard M. 3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14^]triconta-1(26),11(29),12,14(30),24,27-hexaene, C~24~H~38~N~6~, as a building block in supramolecular chemistry: structures in two and three dimensions Acta Crystallographica Section B 56(2) (2000) 287-298 Space group: P 1 21/c 1 Cell volume: 2577.29 Cell parameters: 12.3442; 7.6496; 29.1745; 90; 110.686; 90; |
COD ID: 2102034 | |
CIF file | Formula: - Al H24 K O20 S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1786.98 Cell parameters: 12.135; 12.135; 12.135; 90; 90; 90; |
COD ID: 2102035 | |
CIF file | Formula: - Al H24 K O20 S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1799.82 Cell parameters: 12.164; 12.164; 12.164; 90; 90; 90; |
COD ID: 2102036 | |
CIF file | Formula: - Al H24 O20 S2 Tl - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1818.98 Cell parameters: 12.207; 12.207; 12.207; 90; 90; 90; |
COD ID: 2102037 | |
CIF file | Formula: - Al H24 O20 S2 Tl - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1829.5 Cell parameters: 12.2305; 12.2305; 12.2305; 90; 90; 90; |
COD ID: 2102038 | |
CIF file | Formula: - Cr H24 K O20 S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1821.79 Cell parameters: 12.2133; 12.2133; 12.2133; 90; 90; 90; |
COD ID: 2102039 | |
CIF file | Formula: - Cr H24 K O20 S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1829.5 Cell parameters: 12.2305; 12.2305; 12.2305; 90; 90; 90; |
COD ID: 2102040 | |
CIF file | Formula: - Ga H24 O20 Rb S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1846.34 Cell parameters: 12.2679; 12.2679; 12.2679; 90; 90; 90; |
COD ID: 2102041 | |
CIF file | Formula: - Ga H24 O20 S2 Tl - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1832.33 Cell parameters: 12.2368; 12.2368; 12.2368; 90; 90; 90; |
COD ID: 2102042 | |
CIF file | Formula: - C98.32 H223.88 O102.63 - Comments: Makedonopoulou, Stella; Mavridis, Irene M. Structure of the inclusion complex of β-cyclodextrin with 1,12-dodecanedioic acid using synchrotron radiation data; a detailed dimeric β-cyclodextrin structure Acta Crystallographica Section B 56(2) (2000) 322-331 Space group: P 1 Cell volume: 3674 Cell parameters: 18.153; 15.456; 15.251; 102.81; 113.13; 99.9; |
COD ID: 2102043 | |
CIF file | Formula: - C97.03 H209.44 O96.69 - Comments: Makedonopoulou, Stella; Mavridis, Irene M. Structure of the inclusion complex of β-cyclodextrin with 1,12-dodecanedioic acid using synchrotron radiation data; a detailed dimeric β-cyclodextrin structure Acta Crystallographica Section B 56(2) (2000) 322-331 Space group: P 1 Cell volume: 3735.3 Cell parameters: 18.22; 15.488; 15.409; 102.903; 113.122; 99.708; |
COD ID: 2102044 | |
CIF file | Formula: - C36 H30 As2 Cl2 Pt - Comments: Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II) Acta Crystallographica Section B 56(2) (2000) 226-233 Space group: P 1 21/n 1 Cell volume: 1668.7 Cell parameters: 9.2706; 19.726; 9.83; 90; 111.83; 90; |
COD ID: 2102045 | |
CIF file | Formula: - C38 H34 As2 Cl6 Pt - Comments: Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II) Acta Crystallographica Section B 56(2) (2000) 226-233 Space group: P b c a Cell volume: 3938.5 Cell parameters: 20.582; 8.146; 23.491; 90; 90; 90; |
COD ID: 2102046 | |
CIF file | Formula: - C38 H34 As2 Cl4 Pt - Comments: Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II) Acta Crystallographica Section B 56(2) (2000) 226-233 Space group: P -1 Cell volume: 915.6 Cell parameters: 9.3899; 9.5481; 11.931; 109.7; 108.26; 98.77; |
COD ID: 2102047 | |
CIF file | Formula: - C39 H33 As2 Cl2 Pt - Comments: Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II) Acta Crystallographica Section B 56(2) (2000) 226-233 Space group: P 1 21/n 1 Cell volume: 3547.4 Cell parameters: 11.778; 18.712; 16.647; 90; 104.78; 90; |
COD ID: 2102048 | |
CIF file | Formula: - C18 H16 N2 O4 S2 - Comments: Nagel, Norbert; Bock, Hans; Eller, Peter Dimorphism and inclusion compounds of <i>N</i>,<i>N</i>'-di(benzenesulfonyl)-<i>p</i>-phenylenediamine Acta Crystallographica Section B 56(2) (2000) 234-244 Space group: P 1 21/c 1 Cell volume: 890.1 Cell parameters: 9.0603; 10.6109; 9.4613; 90; 101.893; 90; |
COD ID: 2102049 | |
CIF file | Formula: - C18 H16 N2 O4 S2 - Comments: Nagel, Norbert; Bock, Hans; Eller, Peter Dimorphism and inclusion compounds of <i>N</i>,<i>N</i>'-di(benzenesulfonyl)-<i>p</i>-phenylenediamine Acta Crystallographica Section B 56(2) (2000) 234-244 Space group: P 1 21/n 1 Cell volume: 894.74 Cell parameters: 10.6449; 6.451; 13.1061; 90; 96.195; 90; |
COD ID: 2102050 | |
CIF file | Formula: - C21 H22 N2 O5 S2 - Comments: Nagel, Norbert; Bock, Hans; Eller, Peter Dimorphism and inclusion compounds of <i>N</i>,<i>N</i>'-di(benzenesulfonyl)-<i>p</i>-phenylenediamine Acta Crystallographica Section B 56(2) (2000) 234-244 Space group: P b c n Cell volume: 2055.2 Cell parameters: 17.503; 7.731; 15.188; 90; 90; 90; |
COD ID: 2102051 | |
CIF file | Formula: - C22 H28 N2 O6 S4 - Comments: Nagel, Norbert; Bock, Hans; Eller, Peter Dimorphism and inclusion compounds of <i>N</i>,<i>N</i>'-di(benzenesulfonyl)-<i>p</i>-phenylenediamine Acta Crystallographica Section B 56(2) (2000) 234-244 Space group: P -1 Cell volume: 1308.1 Cell parameters: 8.4277; 13.0779; 13.401; 116.532; 97.1; 90.425; |
COD ID: 2102052 | |
CIF file | Formula: - C20 H4 Co D27 N6 O4 - Comments: Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. II. 3‒1 Photoisomerization of a cobaloxime complex Acta Crystallographica Section B 56(2) (2000) 245-253 Space group: P 1 21 1 Cell volume: 1195.56 Cell parameters: 9.6772; 13.8988; 8.9432; 90; 96.322; 90; |
COD ID: 2102053 | |
CIF file | Formula: - C20 H4 Co D27 N6 O4 - Comments: Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction II. 3-1 Photoisomerization of a Cobaloxime Complex Acta Crystallographica, Section B 56(2) (2000) 245-253 Space group: P 1 21 1 Cell volume: 1168.78 Cell parameters: 9.1579; 13.9694; 9.2757; 90; 99.954; 90; |
COD ID: 2102054 | |
CIF file | Formula: - C20 H4 Co D27 N6 O4 - Comments: Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction II. 3-1 Photoisomerization of a Cobaloxime Complex Acta Crystallographica, Section B 56(2) (2000) 245-253 Space group: P 1 21 1 Cell volume: 1168.78 Cell parameters: 9.1579; 13.9694; 9.2757; 90; 99.954; 90; |
COD ID: 2102055 | |
CIF file | Formula: - C13 H10 O - Comments: Kutzke, Hartmut; Klapper, Helmut; Hammond, Robert B.; Roberts, Kevin J. Metastable β-phase of benzophenone: independent structure determinations via X-ray powder diffraction and single crystal studies Acta Crystallographica, Section B: Structural Science 56(3) (2000) 486-496 Space group: C 1 2/c 1 Cell volume: 1988.35 Cell parameters: 16.2219; 8.1468; 16.334; 90; 112.911; 90; |
COD ID: 2102056 | |
CIF file | Formula: - C13 H10 O - Comments: Kutzke, Hartmut; Klapper, Helmut; Hammond, Robert B.; Roberts, Kevin J. Metastable β-phase of benzophenone: independent structure determinations via X-ray powder diffraction and single crystal studies Acta Crystallographica, Section B: Structural Science 56(3) (2000) 486-496 Space group: C 1 2/c 1 Cell volume: 1966.2 Cell parameters: 16.2; 8.104; 16.248; 90; 112.82; 90; |
COD ID: 2102057 | |
CIF file | Formula: - Br2 H6 N2 Pd - Comments: Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science 56(3) (2000) 419-425 Space group: P b c a Cell volume: 1196.17 Cell parameters: 13.3202; 12.7223; 7.05854; 90; 90; 90; |
COD ID: 2102058 | |
CIF file | Formula: - Br2 H6 N2 Pd - Comments: Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science 56(3) (2000) 419-425 Space group: P -1 Cell volume: 294.52 Cell parameters: 6.7854; 7.1057; 6.6241; 103.221; 102.514; 100.386; |
COD ID: 2102059 | |
CIF file | Formula: - Br2 H6 N2 Pd - Comments: Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science 56(3) (2000) 419-425 Space group: P b c a Cell volume: 574.49 Cell parameters: 8.4315; 8.4206; 8.0916; 90; 90; 90; |
COD ID: 2102060 | |
CIF file | Formula: - H6 I2 N2 Pd - Comments: Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science 56(3) (2000) 419-425 Space group: P b c a Cell volume: 1409.29 Cell parameters: 13.906; 13.5035; 7.505; 90; 90; 90; |
COD ID: 2102061 | |
CIF file | Formula: - H6 I2 N2 Pd - Comments: Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science 56(3) (2000) 419-425 Space group: P b c a Cell volume: 672.36 Cell parameters: 8.8347; 8.841; 8.6081; 90; 90; 90; |
COD ID: 2102062 | |
CIF file | Formula: - C8 H4 Na2 O4 - Comments: Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B 56(3) (2000) 474-485 Space group: P b c 21 Cell volume: 728.92 Cell parameters: 3.54807; 10.81599; 18.9943; 90; 90; 90; |
COD ID: 2102063 | |
CIF file | Formula: - C8 H16 N2 O4 - Comments: Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B 56(3) (2000) 474-485 Space group: P b c 21 Cell volume: 955.17 Cell parameters: 4.0053; 11.814; 20.186; 90; 90; 90; |
COD ID: 2102064 | |
CIF file | Formula: - C8 H4 K2 O4 - Comments: Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B 56(3) (2000) 474-485 Space group: P 1 21/c 1 Cell volume: 442 Cell parameters: 10.561; 3.944; 11.535; 90; 113.08; 90; |
COD ID: 2102065 | |
CIF file | Formula: - C8 H5 K O4 - Comments: Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B 56(3) (2000) 474-485 Space group: C 1 2/c 1 Cell volume: 790.9 Cell parameters: 18.825; 3.77; 11.179; 90; 94.56; 90; |
COD ID: 2102066 | |
CIF file | Formula: - C8 H9 N O4 - Comments: Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B 56(3) (2000) 474-485 Space group: C 1 2/c 1 Cell volume: 816.8 Cell parameters: 18.924; 3.7967; 11.481; 90; 98.04; 90; |
COD ID: 2102067 | |
CIF file | Formula: - C8 H4 Li2 O4 - Comments: Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B 56(3) (2000) 474-485 Space group: P 1 21/c 1 Cell volume: 363.45 Cell parameters: 8.35918; 5.13212; 8.48489; 90; 93.1555; 90; |
COD ID: 2102068 | |
CIF file | Formula: - Bi0.5 Na0.5 O3 Ti - Comments: Jones, G. O.; Thomas, P. A. The tetragonal phase of Na~0.5~Bi~0.5~TiO~3~ – a new variant of the perovskite structure Acta Crystallographica Section B 56(3) (2000) 426-430 Space group: P 4 b m Cell volume: 119.055 Cell parameters: 5.5191; 5.5191; 3.9085; 90; 90; 90; |
COD ID: 2102069 | |
CIF file | Formula: - H4 K3 Nd O17 Si6 - Comments: Haile, S. M.; Wuensch, B. J. Structure, phase transitions and ionic conductivity of K~3~NdSi~6~O~15~·<i>x</i>H~2~O. I. α-K~3~NdSi~6~O~15~·2H~2~O and its polymorphs Acta Crystallographica Section B 56(3) (2000) 335-348 Space group: P b a m Cell volume: 1748.4 Cell parameters: 16.008; 15.004; 7.2794; 90; 90; 90; |
COD ID: 2102070 | |
CIF file | Formula: - K3 Nd O15 Si6 - Comments: Haile, S. M.; Wuensch, B. J. Structure, phase transitions and ionic conductivity of K~3~NdSi~6~O~15~·<i>x</i>H~2~O. II. Structure of β-K~3~NdSi~6~O~15~ Acta Crystallographica Section B 56(3) (2000) 349-362 Space group: B b 21 m Cell volume: 3181 Cell parameters: 14.37; 15.518; 14.265; 90; 90; 90; |
COD ID: 2102071 | |
CIF file | Formula: - C252 N12 S18 - Comments: Penicaud, Alain; Boubekeur, Kamal; Kotov, Alexander I.; Yagubskii, Eduard B. Novel infinite three-dimensional network of neutral fullerene molecules in (C~60~)~8~(twin-TDAS)~6~ Acta Crystallographica Section B 56(3) (2000) 497-500 Space group: I 2 3 Cell volume: 6697 Cell parameters: 18.8492; 18.8492; 18.8492; 90; 90; 90; |
COD ID: 2102072 | |
CIF file | Formula: - Bi24 Cl10 O31 - Comments: Eggenweiler, U.; Keller, E.; Krämer, V. Redetermination of the crystal structures of the `Arppe compound' Bi~24~O~31~Cl~10~ and the isomorphous Bi~24~O~31~Br~10~ Acta Crystallographica Section B 56(3) (2000) 431-437 Space group: P 1 2/c 1 Cell volume: 2363.8 Cell parameters: 10.033; 7.9745; 29.552; 90; 88.742; 90; |
COD ID: 2102073 | |
CIF file | Formula: - Bi24 Br10 O31 - Comments: Eggenweiler, U.; Keller, E.; Krämer, V. Redetermination of the crystal structures of the `Arppe compound' Bi~24~O~31~Cl~10~ and the isomorphous Bi~24~O~31~Br~10~ Acta Crystallographica Section B 56(3) (2000) 431-437 Space group: A 1 2/m 1 Cell volume: 1217.5 Cell parameters: 10.141; 4.005; 29.977; 90; 90.197; 90; |
COD ID: 2102074 | |
CIF file | Formula: - C18 H24 O3 - Comments: Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B 56(3) (2000) 512-525 Space group: P 1 21 1 Cell volume: 786.54 Cell parameters: 6.2321; 9.9264; 12.812; 90; 97.079; 90; |
COD ID: 2102075 | |
CIF file | Formula: - C18 H26 O3 - Comments: Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B 56(3) (2000) 512-525 Space group: P 21 21 21 Cell volume: 1582.5 Cell parameters: 6.318; 6.4489; 38.841; 90; 90; 90; |
COD ID: 2102076 | |
CIF file | Formula: - C18 H26 O3 - Comments: Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B 56(3) (2000) 512-525 Space group: P 21 21 21 Cell volume: 1565.9 Cell parameters: 14.241; 9.4401; 11.648; 90; 90; 90; |
COD ID: 2102077 | |
CIF file | Formula: - C18 H24 O4 - Comments: Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B 56(3) (2000) 512-525 Space group: P 1 21 1 Cell volume: 795.1 Cell parameters: 6.2214; 12.05; 10.888; 90; 103.07; 90; |
COD ID: 2102078 | |
CIF file | Formula: - C18 H26 O4 - Comments: Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B 56(3) (2000) 512-525 Space group: P 21 21 21 Cell volume: 1636.6 Cell parameters: 6.335; 9.482; 27.245; 90; 90; 90; |
COD ID: 2102079 | |
CIF file | Formula: - C18 H26 O4 - Comments: Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B 56(3) (2000) 512-525 Space group: P 21 21 21 Cell volume: 1596.5 Cell parameters: 9.3361; 9.6261; 17.764; 90; 90; 90; |
COD ID: 2102080 | |
CIF file | Formula: - C18 H24 O4 - Comments: Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B 56(3) (2000) 512-525 Space group: P 1 21 1 Cell volume: 795.04 Cell parameters: 6.2246; 12.014; 10.915; 90; 103.09; 90; |
COD ID: 2102081 | |
CIF file | Formula: - O62 P4 W18 - Comments: Pascal Roussel; Philippe Labbe; Daniel Groult Symmetry and twins in the monophosphate tungsten bronze series (PO~2~)~4~(WO~3~)~2<i>m~</i> (2 {łeq} <i>m</i> {łeq} 14) Acta Crystallographica Section B 56(3) (2000) 377-391 Space group: P -1 Cell volume: 1134.1 Cell parameters: 5.2945; 6.542; 32.744; 90; 90.2; 89.78; |
COD ID: 2102082 | |
CIF file | Formula: - Cu7 P Se6 - Comments: Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M. Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i>~=~Ag, Cu) argyrodite-type ionic conductors. II. β- and γ-Cu~7~PSe~6~ Acta Crystallographica Section B 56(3) (2000) 402-408 Space group: P 21 3 Cell volume: 1032.75 Cell parameters: 10.108; 10.108; 10.108; 90; 90; 90; |
COD ID: 2102083 | |
CIF file | Formula: - Cu7 P Se6 - Comments: Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M. Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i>~=~Ag, Cu) argyrodite-type ionic conductors. II. β- and γ-Cu~7~PSe~6~ Acta Crystallographica Section B 56(3) (2000) 402-408 Space group: F -4 3 m Cell volume: 1034.28 Cell parameters: 10.113; 10.113; 10.113; 90; 90; 90; |
COD ID: 2102084 | |
CIF file | Formula: - Cu H20 N2 O14 S2 - Comments: Figgis, Brian N.; Sobolev, Alexandre N.; Simmons, Charles J.; Hitchman, Michael A.; Stratemeier, Horst; Riley, Mark J. Bonding effects and the crystal structures of (NH~4~)~2~[Cu(H~2~O)~6~](SO~4~)~2~ and its H~2~^18^O substituted form at 9.5K Acta Crystallographica Section B 56(3) (2000) 438-443 Space group: P 1 21/a 1 Cell volume: 677.07 Cell parameters: 9.0964; 12.2225; 6.3447; 90; 106.295; 90; |
COD ID: 2102085 | |
CIF file | Formula: - Cu H20 N2 O14 S2 - Comments: Figgis, Brian N.; Sobolev, Alexandre N.; Simmons, Charles J.; Hitchman, Michael A.; Stratemeier, Horst; Riley, Mark J. Bonding effects and the crystal structures of (NH~4~)~2~[Cu(H~2~O)~6~](SO~4~)~2~ and its H~2~^18^O substituted form at 9.5K Acta Crystallographica Section B 56(3) (2000) 438-443 Space group: P 1 21/a 1 Cell volume: 676.59 Cell parameters: 9.0921; 12.2195; 6.3442; 90; 106.277; 90; |
COD ID: 2102086 | |
CIF file | Formula: - Al477.44 Cr63.42 Fe51.42 - Comments: Mo, Z.M.; Zhou, H.Y.; Kuo, K.H. Structure of ν-Al~80.61~Cr~10.71~Fe~8.68~, a giant hexagonal approximant of a quasicrystal determined by a combination of electron microscopy and X-ray diffraction Acta Crystallographica Section B 56(3) (2000) 392-401 Space group: P 63/m Cell volume: 17980 Cell parameters: 40.68; 40.68; 12.546; 90; 90; 120; |
COD ID: 2102087 | |
CIF file | Formula: - K O3 Ta - Comments: Zhurova, Elizabeth A.; Ivanov, Yury; Zavodnik, Valery; Tsirelson, Vladimir Electron density and atomic displacements in KTaO~3~ Acta Crystallographica Section B 56(4) (2000) 594-600 Space group: P m -3 m Cell volume: 63.44 Cell parameters: 3.9883; 3.9883; 3.9883; 90; 90; 90; |
COD ID: 2102088 | |
CIF file | Formula: - C13 H19 N3 O6 - Comments: Pichon-Pesme, Virginie; Lachekar, Hassane; Souhassou, Mohamed; Lecomte, Claude Electron density and electrostatic properties of two peptide molecules: tyrosyl-glycyl-glycine monohydrate and glycyl-aspartic acid dihydrate Acta Crystallographica Section B 56(4) (2000) 728-737 Space group: P 21 21 21 Cell volume: 1397.1 Cell parameters: 7.984; 9.535; 18.352; 90; 90; 90; |
COD ID: 2102089 | |
CIF file | Formula: - C6 H14 N2 O7 - Comments: Pichon-Pesme, Virginie; Lachekar, Hassane; Souhassou, Mohamed; Lecomte, Claude Electron density and electrostatic properties of two peptide molecules: tyrosyl-glycyl-glycine monohydrate and glycyl-aspartic acid dihydrate Acta Crystallographica Section B 56(4) (2000) 728-737 Space group: P 21 21 21 Cell volume: 1003.26 Cell parameters: 9.659; 9.672; 10.739; 90; 90; 90; |
COD ID: 2102090 | |
CIF file | Formula: - K Li O4 S - Comments: Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B 56(4) (2000) 607-617 Space group: P 63 Cell volume: 202.65 Cell parameters: 5.202; 5.202; 8.647; 90; 90; 120; |
COD ID: 2102091 | |
CIF file | Formula: - K Li O4 S - Comments: Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B 56(4) (2000) 607-617 Space group: P m c n Cell volume: 417.3 Cell parameters: 5.264; 9.148; 8.666; 90; 90; 90; |
COD ID: 2102092 | |
CIF file | Formula: - K Li O4 S - Comments: Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B 56(4) (2000) 607-617 Space group: P m c n Cell volume: 424 Cell parameters: 5.27; 9.193; 8.751; 90; 90; 90; |
COD ID: 2102093 | |
CIF file | Formula: - C76 H134 Cu2 N2 O12 - Comments: Rusjan, Marcia; Chaia, Zulema D.; Piro, Oscar E.; Guillon, Daniel; Cukiernik, Fabio D. Synthesis, structure and magnetic properties of tetrakis-μ-carboxylato-bis(dodecylnicotinato)dicopper(II) complexes; crystal and molecular structure of the decyl carboxylate derivative Acta Crystallographica Section B 56(4) (2000) 666-672 Space group: P -1 Cell volume: 2045.9 Cell parameters: 10.231; 12.878; 16.804; 92.39; 104.31; 106.17; |
COD ID: 2102094 | |
CIF file | Formula: - C5 H6 N2 - Comments: Boese, Roland; Gehrke, Annette; Kapon, Moshe; Herbstein, Frank H. Determining the crystal structure of twinned 2-methylpyrazine Acta Crystallographica Section B 56(4) (2000) 677-681 Space group: I -4 Cell volume: 2070.9 Cell parameters: 13.799; 13.799; 10.876; 90; 90; 90; |
COD ID: 2102095 | |
CIF file | Formula: - C5 H6 N2 - Comments: Boese, Roland; Gehrke, Annette; Kapon, Moshe; Herbstein, Frank H. Determining the crystal structure of twinned 2-methylpyrazine Acta Crystallographica Section B 56(4) (2000) 677-681 Space group: I -4 Cell volume: 2045.6 Cell parameters: 13.725; 13.725; 10.859; 90; 90; 90; |
COD ID: 2102096 | |
CIF file | Formula: - H16 O20 U4 - Comments: Weller, Mark T.; Light, Mark E.; Gelbrich, Thomas Structure of uranium(VI) oxide dihydrate, UO~3~·2H~2~O; synthetic <i>meta</i>-schoepite (UO~2~)~4~O(OH)~6~·5H~2~O Acta Crystallographica Section B 56(4) (2000) 577-583 Space group: P b c n Cell volume: 3429.97 Cell parameters: 14.6861; 13.9799; 16.7063; 90; 90; 90; |
COD ID: 2102097 | |
CIF file | Formula: - C10 H13 N3 O6 - Comments: J.V. Pratap; R. Ravishankar; M.Vijayan X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with <small>L</small>-histidine and <small>L</small>-lysine Acta Crystallographica Section B 56(4) (2000) 690-696 Space group: P 1 Cell volume: 581.65 Cell parameters: 5.3893; 9.3851; 12.3681; 107.054; 98.569; 97.303; |
COD ID: 2102098 | |
CIF file | Formula: - C10 H18 N2 O6 - Comments: J.V. Pratap; R. Ravishankar; M.Vijayan X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with <small>L</small>-histidine and <small>L</small>-lysine Acta Crystallographica Section B 56(4) (2000) 690-696 Space group: P 1 21 1 Cell volume: 616.1 Cell parameters: 9.854; 7.136; 9.7388; 90; 115.887; 90; |
COD ID: 2102099 | |
CIF file | Formula: - Al1.5 H9.4 N1.19 Na0.13 O10.32 Si2.5 - Comments: Gualtieri, A. F. Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Acta Crystallographica Section B 56(4) (2000) 584-593 Space group: P 1 21/m 1 Cell volume: 1018.97 Cell parameters: 10.0507; 14.2016; 8.7281; 90; 125.123; 90; |
COD ID: 2102100 | |
CIF file | Formula: - Al1.2 H8.8 N Na0.1 O10.4 Si3 - Comments: Gualtieri, A. F. Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Acta Crystallographica Section B 56(4) (2000) 584-593 Space group: P 1 21/m 1 Cell volume: 1015.8 Cell parameters: 10.0122; 14.1943; 8.7284; 90; 125.024; 90; |
COD ID: 2102101 | |
CIF file | Formula: - Al0.96 H8 N0.85 Na0.1 O10.3 Si3 - Comments: Gualtieri, A. F. Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Acta Crystallographica Section B 56(4) (2000) 584-593 Space group: P 1 21/m 1 Cell volume: 1008.71 Cell parameters: 9.9596; 14.2015; 8.7051; 90; 124.99; 90; |
COD ID: 2102102 | |
CIF file | Formula: - C29 H44 O10 Si - Comments: Dillen, Jan L.M.; Bredenkamp, Martin W.; Prinsloo, Mare-Loe Single crystal structure and molecular dynamics analysis of a <i>myo</i>-inositol derivative Acta Crystallographica Section B 56(4) (2000) 738-743 Space group: P 1 21 1 Cell volume: 1593.8 Cell parameters: 7.537; 10.183; 20.843; 90; 94.93; 90; |
COD ID: 2102103 | |
CIF file | Formula: - C29 H44 O10 Si - Comments: Dillen, Jan L.M.; Bredenkamp, Martin W.; Prinsloo, Mare-Loe Single crystal structure and molecular dynamics analysis of a <i>myo</i>-inositol derivative Acta Crystallographica Section B 56(4) (2000) 738-743 Space group: P 1 21 1 Cell volume: 1629.29 Cell parameters: 7.5722; 10.2402; 21.1352; 90; 96.188; 90; |
COD ID: 2102104 | |
CIF file | Formula: - C10 H11 N O - Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B 56(4) (2000) 682-689 Space group: C 1 2/c 1 Cell volume: 1770.5 Cell parameters: 23.599; 9.148; 8.208; 90; 87.69; 90; |
COD ID: 2102105 | |
CIF file | Formula: - C10 H11 N O - Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B 56(4) (2000) 682-689 Space group: C 1 2/c 1 Cell volume: 1845.8 Cell parameters: 22.444; 9.557; 8.632; 90; 94.5; 90; |
COD ID: 2102106 | |
CIF file | Formula: - C9 H8 Cl N O - Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B 56(4) (2000) 682-689 Space group: P 1 21/c 1 Cell volume: 859.3 Cell parameters: 11.037; 9.075; 9.042; 90; 108.42; 90; |
COD ID: 2102107 | |
CIF file | Formula: - C9 H8 Cl N O - Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B 56(4) (2000) 682-689 Space group: P 1 21/c 1 Cell volume: 874.8 Cell parameters: 11.398; 9.33; 8.698; 90; 108.95; 90; |
COD ID: 2102108 | |
CIF file | Formula: - C7 H7 N O S - Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B 56(4) (2000) 682-689 Space group: P b c a Cell volume: 1496.8 Cell parameters: 20.243; 9.087; 8.137; 90; 90; 90; |
COD ID: 2102109 | |
CIF file | Formula: - C9 H9 N O - Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B 56(4) (2000) 682-689 Space group: P 1 21/a 1 Cell volume: 779.9 Cell parameters: 16.047; 5.084; 9.584; 90; 94.06; 90; |
COD ID: 2102110 | |
CIF file | Formula: - C9 H9 N O - Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B 56(4) (2000) 682-689 Space group: P 1 21/a 1 Cell volume: 780.6 Cell parameters: 16.191; 5.079; 9.509; 90; 93.37; 90; |
COD ID: 2102111 | |
CIF file | Formula: - C18 H16 Cl2 N2 O2 - Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B 56(4) (2000) 682-689 Space group: P -1 Cell volume: 842.2 Cell parameters: 8.733; 18.578; 5.21; 91.86; 93.04; 93.21; |
COD ID: 2102112 | |
CIF file | Formula: ? Comments: Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B 56(4) (2000) 601-606 Space group: I 41/a m d :2 Cell volume: 200.683 Cell parameters: 5.20713; 5.20713; 7.40141; 90; 90; 90; |
COD ID: 2102113 | |
CIF file | Formula: ? Comments: Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B 56(4) (2000) 601-606 Space group: I m m a Cell volume: 200.696 Cell parameters: 5.19096; 5.21235; 7.41751; 90; 90; 90; |
COD ID: 2102114 | |
CIF file | Formula: ? Comments: Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B 56(4) (2000) 601-606 Space group: I m m a Cell volume: 200.747 Cell parameters: 5.17349; 5.22109; 7.43197; 90; 90; 90; |
COD ID: 2102115 | |
CIF file | Formula: ? Comments: Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B 56(4) (2000) 601-606 Space group: F d -3 m :2 Cell volume: 401.156 Cell parameters: 7.37515; 7.375154; 7.375154; 90; 90; 90; |
COD ID: 2102116 | |
CIF file | Formula: - C5 H9 N O2 - Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Non-centrosymmetric racemates: space-group frequencies and conformational similarities between crystallographically independent molecules Acta Crystallographica Section B 56(4) (2000) 715-719 Space group: P c a 21 Cell volume: 1188.73 Cell parameters: 9.8588; 4.8125; 25.0546; 90; 90; 90; |
COD ID: 2102117 | |
CIF file | Formula: - H2 O8 P2 Zr - Comments: Krogh Andersen, Anne Marie; Norby, Poul <i>Ab initio</i> structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from <i>in situ</i> temperature-resolved powder diffraction data Acta Crystallographica Section B 56(4) (2000) 618-625 Space group: P n n m Cell volume: 341.59 Cell parameters: 8.1935; 7.709; 5.408; 90; 90; 90; |
COD ID: 2102118 | |
CIF file | Formula: - O7 P2 Zr - Comments: Krogh Andersen, Anne Marie; Norby, Poul <i>Ab initio</i> structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from <i>in situ</i> temperature-resolved powder diffraction data Acta Crystallographica Section B 56(4) (2000) 618-625 Space group: P n n m Cell volume: 294.74 Cell parameters: 8.3127; 6.6389; 5.3407; 90; 90; 90; |
COD ID: 2102119 | |
CIF file | Formula: - C6 H13 N O2 - Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid Acta Crystallographica Section B 56(4) (2000) 720-727 Space group: P -1 Cell volume: 347.02 Cell parameters: 5.2289; 5.4102; 13.1095; 96.332; 90.622; 109.493; |
COD ID: 2102120 | |
CIF file | Formula: - C6 H13 N O2 - Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid Acta Crystallographica Section B 56(4) (2000) 720-727 Space group: P 1 Cell volume: 351.42 Cell parameters: 5.2438; 5.3978; 13.2562; 93.042; 92.811; 109.897; |
COD ID: 2102121 | |
CIF file | Formula: - C6 H13 N O2 - Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid Acta Crystallographica Section B 56(4) (2000) 720-727 Space group: P -1 Cell volume: 352.657 Cell parameters: 5.2493; 5.4006; 13.2778; 92.9433; 92.8659; 109.857; |
COD ID: 2102122 | |
CIF file | Formula: - C6 H13 N O2 - Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid Acta Crystallographica Section B 56(4) (2000) 720-727 Space group: P 1 21 1 Cell volume: 710.053 Cell parameters: 9.6706; 5.2583; 14.1018; 90; 98.033; 90; |
COD ID: 2102123 | |
CIF file | Formula: - O5 Ta2 - Comments: Zibrov, I. P.; Filonenko, V. P.; Sundberg, M.; Werner, P.-E. Structures and phase transitions of <i>B</i>-Ta~2~O~5~ and <i>Z</i>-Ta~2~O~5~: two high-pressure forms of Ta~2~O~5~ Acta Crystallographica Section B 56(4) (2000) 659-665 Space group: C 1 2/c 1 Cell volume: 332.446 Cell parameters: 12.7853; 4.8537; 5.5276; 90; 104.264; 90; |
COD ID: 2102124 | |
CIF file | Formula: - O5 Ta2 - Comments: Zibrov, I. P.; Filonenko, V. P.; Sundberg, M.; Werner, P.-E. Structures and phase transitions of <i>B</i>-Ta~2~O~5~ and <i>Z</i>-Ta~2~O~5~: two high-pressure forms of Ta~2~O~5~ Acta Crystallographica Section B 56(4) (2000) 659-665 Space group: C 1 2 1 Cell volume: 136.533 Cell parameters: 5.2252; 4.6991; 5.8534; 90; 108.2; 90; |
COD ID: 2102125 | |
CIF file | Formula: - C7 H3 Cl2 N - Comments: Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J. Isomorphism and pseudosymmetry in 2,6-dichloro- and 2,6-dibromobenzonitrile Acta Crystallographica Section B 56(5) (2000) 822-827 Space group: C 1 2/m 1 Cell volume: 1408.02 Cell parameters: 18.0525; 20.7374; 3.8334; 90; 101.143; 90; |
COD ID: 2102126 | |
CIF file | Formula: - C7 H3 Br2 N - Comments: Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J. Isomorphism and pseudosymmetry in 2,6-dichloro- and 2,6-dibromobenzonitrile Acta Crystallographica Section B 56(5) (2000) 822-827 Space group: C 1 2/m 1 Cell volume: 1512.7 Cell parameters: 18.2269; 21.349; 3.9663; 90; 101.446; 90; |
COD ID: 2102127 | |
CIF file | Formula: - Al96 Ca48 O384 Si96 - Comments: Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data Acta Crystallographica Section B 56(5) (2000) 766-772 Space group: F m -3 c Cell volume: 14652 Cell parameters: 24.47; 24.47; 24.47; 90; 90; 90; |
COD ID: 2102128 | |
CIF file | Formula: - Al96 Ca48 O384 Si96 - Comments: Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data Acta Crystallographica Section B 56(5) (2000) 766-772 Space group: F m -3 c Cell volume: 14652 Cell parameters: 24.47; 24.47; 24.47; 90; 90; 90; |
COD ID: 2102129 | |
CIF file | Formula: - Al96 Ca48 O384 Si96 - Comments: Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data Acta Crystallographica Section B 56(5) (2000) 766-772 Space group: F m -3 c Cell volume: 14652 Cell parameters: 24.47; 24.47; 24.47; 90; 90; 90; |
COD ID: 2102130 | |
CIF file | Formula: - Al96 Ca48 O384 Si96 - Comments: Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data Acta Crystallographica Section B 56(5) (2000) 766-772 Space group: F -4 3 c Cell volume: 14652 Cell parameters: 24.47; 24.47; 24.47; 90; 90; 90; |
COD ID: 2102131 | |
CIF file | Formula: - K3 Nd O17 Si7 - Comments: Haile, S. M.; Wuensch, B. J. X-ray diffraction study of K~3~NdSi~7~O~17~: a new framework silicate with a linear Si—O—Si bond Acta Crystallographica Section B 56(5) (2000) 773-779 Space group: P -3 Cell volume: 1616.9 Cell parameters: 16.131; 16.131; 7.175; 90; 90; 120; |
COD ID: 2102132 | |
CIF file | Formula: - C4 H7 N O5 - Comments: Rychlewska, Urszula; Warżajtis, Beata Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides Acta Crystallographica Section B 56(5) (2000) 833-848 Space group: P 21 21 21 Cell volume: 573.67 Cell parameters: 5.9556; 8.0972; 11.896; 90; 90; 90; |
COD ID: 2102133 | |
CIF file | Formula: - C5 H10 N2 O4 - Comments: Rychlewska, Urszula; Warżajtis, Beata Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides Acta Crystallographica Section B 56(5) (2000) 833-848 Space group: P 41 21 2 Cell volume: 1545.6 Cell parameters: 10.594; 10.594; 13.771; 90; 90; 90; |
COD ID: 2102134 | |
CIF file | Formula: - C6 H14 N2 O5 - Comments: Rychlewska, Urszula; Warżajtis, Beata Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides Acta Crystallographica Section B 56(5) (2000) 833-848 Space group: P 21 21 21 Cell volume: 933.2 Cell parameters: 5.094; 11.243; 16.295; 90; 90; 90; |
COD ID: 2102135 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: P c c n Cell volume: 1276.7 Cell parameters: 13.427; 13.689; 6.946; 90; 90; 90; |
COD ID: 2102136 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: P c c n Cell volume: 1284.2 Cell parameters: 13.426; 13.69; 6.987; 90; 90; 90; |
COD ID: 2102137 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: P c c n Cell volume: 1300.3 Cell parameters: 13.466; 13.691; 7.053; 90; 90; 90; |
COD ID: 2102138 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: P c c n Cell volume: 1300.3 Cell parameters: 13.466; 13.691; 7.053; 90; 90; 90; |
COD ID: 2102139 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: P c c n Cell volume: 1302.6 Cell parameters: 13.472; 13.692; 7.062; 90; 90; 90; |
COD ID: 2102140 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: P c c n Cell volume: 1307.8 Cell parameters: 13.472; 13.692; 7.09; 90; 90; 90; |
COD ID: 2102141 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: P c c n Cell volume: 1309.9 Cell parameters: 13.492; 13.692; 7.091; 90; 90; 90; |
COD ID: 2102142 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: P c c n Cell volume: 1311.2 Cell parameters: 13.498; 13.691; 7.095; 90; 90; 90; |
COD ID: 2102143 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: I b a m Cell volume: 1315.2 Cell parameters: 13.51; 13.69; 7.111; 90; 90; 90; |
COD ID: 2102144 | |
CIF file | Formula: - C7 H10 O2 - Comments: Katrusiak, A. Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals Acta Crystallographica Section B 56(5) (2000) 872-881 Space group: I b a m Cell volume: 1332.1 Cell parameters: 13.558; 13.696; 7.174; 90; 90; 90; |
COD ID: 2102145 | |
CIF file | Formula: - Fe Mn O3.945 Yb0.963 - Comments: Nespolo, Massimo; Isobe, Mitsumasa; Iida, Junji; Kimizuka, Noboru Crystal structure and charge distribution of YbFeMnO~4~ Acta Crystallographica Section B 56(5) (2000) 805-810 Space group: R -3 m :H Cell volume: 265.59 Cell parameters: 3.458; 3.458; 25.647; 90; 90; 120; |
COD ID: 2102146 | |
CIF file | Formula: - C10 H15 N5 O4 - Comments: Low, John N.; Ferguson, George; Glidewell, Christopher <i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular‒electronic and supramolecular structures Acta Crystallographica Section B 56(5) (2000) 882-892 Space group: P 21 21 21 Cell volume: 1309.49 Cell parameters: 8.9136; 11.2501; 13.0585; 90; 90; 90; |
COD ID: 2102147 | |
CIF file | Formula: - C8 H13 N5 O6 - Comments: Low, John N.; Ferguson, George; Glidewell, Christopher <i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular‒electronic and supramolecular structures Acta Crystallographica Section B 56(5) (2000) 882-892 Space group: P 21 21 21 Cell volume: 1120 Cell parameters: 6.5574; 7.686; 22.222; 90; 90; 90; |
COD ID: 2102148 | |
CIF file | Formula: - C9 H13 N5 O5 - Comments: Low, John N.; Ferguson, George; Glidewell, Christopher <i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular‒electronic and supramolecular structures Acta Crystallographica Section B 56(5) (2000) 882-892 Space group: P 1 21 1 Cell volume: 581.87 Cell parameters: 8.3686; 6.7077; 11.123; 90; 111.265; 90; |
COD ID: 2102149 | |
CIF file | Formula: - C5 H16 N O4 P - Comments: Fábry, Jan; Petrícek, Václav; Kroupa, Jan; Císarová, Ivana Ferroelastic structures of <i>n</i>-pentyl-, <i>n</i>- hexyl- and <i>n</i>-nonylammonium dihydrogenphosphate crystals Acta Crystallographica Section B 56(5) (2000) 906-914 Space group: P 1 21/n 1 Cell volume: 1806 Cell parameters: 9.149; 27.081; 7.29; 90; 90.82; 90; |
COD ID: 2102150 | |
CIF file | Formula: - C6 H18 N O4 P - Comments: Fábry, Jan; Petrícek, Václav; Kroupa, Jan; Císarová, Ivana Ferroelastic structures of <i>n</i>-pentyl-, <i>n</i>- hexyl- and <i>n</i>-nonylammonium dihydrogenphosphate crystals Acta Crystallographica Section B 56(5) (2000) 906-914 Space group: P 1 21/n 1 Cell volume: 1977.6 Cell parameters: 9.143; 29.637; 7.299; 90; 90.86; 90; |
COD ID: 2102151 | |
CIF file | Formula: - C9 H24 N O4 P - Comments: Fábry, Jan; Petrícek, Václav; Kroupa, Jan; Císarová, Ivana Ferroelastic structures of <i>n</i>-pentyl-, <i>n</i>- hexyl- and <i>n</i>-nonylammonium dihydrogenphosphate crystals Acta Crystallographica Section B 56(5) (2000) 906-914 Space group: P 1 21/n 1 Cell volume: 2494.9 Cell parameters: 9.138; 36.984; 7.383; 90; 90.88; 90; |
COD ID: 2102152 | |
CIF file | Formula: - C13 H11 N O2 S2 - Comments: Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B 56(5) (2000) 893-905 Space group: P 1 21/c 1 Cell volume: 1286.82 Cell parameters: 6.6384; 24.4389; 7.9478; 90; 93.6346; 90; |
COD ID: 2102153 | |
CIF file | Formula: - C12 H8 Cl N O2 S2 - Comments: Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B 56(5) (2000) 893-905 Space group: P -1 Cell volume: 610.71 Cell parameters: 7.0434; 7.8315; 11.3709; 82.576; 80.69; 83.189; |
COD ID: 2102154 | |
CIF file | Formula: - C13 H10 N2 O4 S2 - Comments: Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B 56(5) (2000) 893-905 Space group: P 1 21 1 Cell volume: 684.64 Cell parameters: 10.1301; 6.3474; 11.1133; 90; 106.644; 90; |
COD ID: 2102155 | |
CIF file | Formula: - C9 H8 N2 O6 S2 - Comments: Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B 56(5) (2000) 893-905 Space group: P -1 Cell volume: 591.48 Cell parameters: 8.1655; 8.2415; 9.3887; 72.1417; 83.3965; 80.332; |
COD ID: 2102156 | |
CIF file | Formula: - C12 H8 N2 O4 S2 - Comments: Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B 56(5) (2000) 893-905 Space group: P 1 21/c 1 Cell volume: 1260.4 Cell parameters: 7.1028; 22.925; 7.7769; 90; 95.536; 90; |
COD ID: 2102157 | |
CIF file | Formula: - C14 H6 F6 N2 O4 S2 - Comments: Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B 56(5) (2000) 893-905 Space group: P 1 21/c 1 Cell volume: 1709.01 Cell parameters: 14.1617; 5.3367; 22.6233; 90; 91.7376; 90; |
COD ID: 2102158 | |
CIF file | Formula: - C12 H8 N2 O6 S2 - Comments: Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B 56(5) (2000) 893-905 Space group: P -1 Cell volume: 2030.3 Cell parameters: 8.8211; 11.042; 21.258; 101.06; 91.97; 91.07; |
COD ID: 2102159 | |
CIF file | Formula: - As O5 Rb Ti - Comments: Streltsov, Victor A.; Nordborg, Jenni; Albertsson, Jörgen Synchrotron X-ray analysis of RbTiOAsO~4~ Acta Crystallographica Section B 56(5) (2000) 785-792 Space group: P n a 21 Cell volume: 948.36 Cell parameters: 13.2352; 6.6666; 10.7483; 90; 90; 90; |
COD ID: 2102160 | |
CIF file | Formula: - Ca1.74 Co O7 Si2 Sr0.26 - Comments: Bagautdinov, B.; Hagiya, K.; Kusaka, K.; Ohmasa, M.; Iishi, K. Two-dimensional incommensurately modulated structure of (Sr~0.13~Ca~0.87~)~2~CoSi~2~O~7~ crystals Acta Crystallographica Section B 56(5) (2000) 811-821 Space group: P -4 21 m Cell volume: 312.61 Cell parameters: 7.8743; 7.8743; 5.0417; 90; 90; 90; |
COD ID: 2102161 | |
CIF file | Formula: - C4 H4 O12 Y2 - Comments: Bataille, Thierry; Louër, Daniel Powder and single-crystal X-ray diffraction study of the structure of [Y(H~2~O)]~2~(C~2~O~4~)(CO~3~)~2~ Acta Crystallographica Section B 56(6) (2000) 998-1002 Space group: C 2 2 21 Cell volume: 1108 Cell parameters: 7.8177; 14.943; 9.4845; 90; 90; 90; |
COD ID: 2102162 | |
CIF file | Formula: - C4 H4 O12 Y2 - Comments: Bataille, Thierry; Louër, Daniel Powder and single-crystal X-ray diffraction study of the structure of [Y(H~2~O)]~2~(C~2~O~4~)(CO~3~)~2~ Acta Crystallographica Section B 56(6) (2000) 998-1002 Space group: C 2 2 21 Cell volume: 1109.46 Cell parameters: 7.8198; 14.949; 9.4908; 90; 90; 90; |
COD ID: 2102163 | |
CIF file | Formula: - C78 H18 O6 - Comments: Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~ Acta Crystallographica Section B 56(6) (2000) 1003-1010 Space group: R -3 m :H Cell volume: 3157.7 Cell parameters: 16.212; 16.212; 13.873; 90; 90; 120; |
COD ID: 2102164 | |
CIF file | Formula: - C78 H18 O6 - Comments: Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~ Acta Crystallographica Section B 56(6) (2000) 1003-1010 Space group: R -3 m :H Cell volume: 3130.5 Cell parameters: 16.177; 16.177; 13.813; 90; 90; 120; |
COD ID: 2102165 | |
CIF file | Formula: - C78 H18 O6 - Comments: Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~ Acta Crystallographica Section B 56(6) (2000) 1003-1010 Space group: R -3 m :H Cell volume: 3106.6 Cell parameters: 16.152; 16.152; 13.75; 90; 90; 120; |
COD ID: 2102166 | |
CIF file | Formula: - C78 H18 O6 - Comments: Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~ Acta Crystallographica Section B 56(6) (2000) 1003-1010 Space group: R -3 m :H Cell volume: 3079.7 Cell parameters: 16.119; 16.119; 13.687; 90; 90; 120; |
COD ID: 2102167 | |
CIF file | Formula: - C11 H8 S5 - Comments: Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L. Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione Acta Crystallographica Section B 56(6) (2000) 1011-1017 Space group: P 1 21/a 1 Cell volume: 1234.07 Cell parameters: 11.929; 11.7639; 9.0612; 90; 103.95; 90; |
COD ID: 2102168 | |
CIF file | Formula: - C11 H8 S5 - Comments: Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L. Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione Acta Crystallographica Section B 56(6) (2000) 1011-1017 Space group: C 1 2/m 1 Cell volume: 1261.9 Cell parameters: 12.075; 11.825; 9.063; 90; 102.8; 90; |
COD ID: 2102169 | |
CIF file | Formula: - C11 H8 S5 - Comments: Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L. Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione Acta Crystallographica Section B 56(6) (2000) 1011-1017 Space group: P 1 21/n 1 Cell volume: 2466.47 Cell parameters: 8.5683; 16.208; 17.898; 90; 97.1103; 90; |
COD ID: 2102170 | |
CIF file | Formula: - Hf0.01 O24 Si Zr0.99 - Comments: Ríos, Susana; Malcherek, Thomas; Salje, Ekhard K. H.; Domeneghetti, Chiara Localized defects in radiation-damaged zircon Acta Crystallographica Section B 56(6) (2000) 947-952 Space group: I 41/a m d :2 Cell volume: 263.6 Cell parameters: 6.618; 6.618; 6.019; 90; 90; 90; |
COD ID: 2102171 | |
CIF file | Formula: - C17 H16 N4 O4 - Comments: Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J. Comparison of the structural motifs of acetoacetanilides and related azo pigments Acta Crystallographica Section B 56(6) (2000) 1046-1053 Space group: P 1 21/n 1 Cell volume: 1613 Cell parameters: 14.111; 7.567; 15.338; 90; 99.967; 90; |
COD ID: 2102172 | |
CIF file | Formula: - C12 H15 N O2 - Comments: Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J. Comparison of the structural motifs of acetoacetanilides and related azo pigments Acta Crystallographica Section B 56(6) (2000) 1046-1053 Space group: P 1 21/m 1 Cell volume: 535.8 Cell parameters: 8.8636; 6.605; 9.2381; 90; 97.804; 90; |
COD ID: 2102173 | |
CIF file | Formula: - C11 H13 N O2 - Comments: Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J. Comparison of the structural motifs of acetoacetanilides and related azo pigments Acta Crystallographica Section B 56(6) (2000) 1046-1053 Space group: P b c a Cell volume: 2050.9 Cell parameters: 26.766; 9.3754; 8.1729; 90; 90; 90; |
COD ID: 2102174 | |
CIF file | Formula: - C11 H13 N O2 - Comments: Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J. Comparison of the structural motifs of acetoacetanilides and related azo pigments Acta Crystallographica Section B 56(6) (2000) 1046-1053 Space group: P 1 21/c 1 Cell volume: 940.5 Cell parameters: 7.3247; 12.108; 10.7479; 90; 99.357; 90; |
COD ID: 2102175 | |
CIF file | Formula: - C10 H4 F4 O2 - Comments: Madhavi, N. N. L.; Desiraju, Gautam R.; Bilton, Claire; Howard, Judith A. K.; Allen, Frank H. Crystal engineering in the <i>gem</i>-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-<i>trans</i>-1,4-diethynylcyclohexa-2,5-diene-1,4-diols Acta Crystallographica Section B 56(6) (2000) 1063-1070 Space group: P -1 Cell volume: 708.3 Cell parameters: 8.9002; 9.2388; 9.6721; 93.73; 98.73; 114.46; |
COD ID: 2102176 | |
CIF file | Formula: - C10 H4 Cl4 O2 - Comments: Madhavi, N. N. L.; Desiraju, Gautam R.; Bilton, Claire; Howard, Judith A. K.; Allen, Frank H. Crystal engineering in the <i>gem</i>-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-<i>trans</i>-1,4-diethynylcyclohexa-2,5-diene-1,4-diols Acta Crystallographica Section B 56(6) (2000) 1063-1070 Space group: I 41/a :2 Cell volume: 2489.6 Cell parameters: 16.758; 16.758; 8.865; 90; 90; 90; |
COD ID: 2102177 | |
CIF file | Formula: - C10 H4 Br4 O2 - Comments: Madhavi, N. N. L.; Desiraju, Gautam R.; Bilton, Claire; Howard, Judith A. K.; Allen, Frank H. Crystal engineering in the <i>gem</i>-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-<i>trans</i>-1,4-diethynylcyclohexa-2,5-diene-1,4-diols Acta Crystallographica Section B 56(6) (2000) 1063-1070 Space group: P -1 Cell volume: 1275.75 Cell parameters: 8.9147; 12.6402; 12.6547; 85.738; 69.625; 72.72; |
COD ID: 2102178 | |
CIF file | Formula: - C17 H16 O - Comments: Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B 56(6) (2000) 1071-1079 Space group: P -1 Cell volume: 652 Cell parameters: 6.8286; 8.2407; 12.658; 106.73; 98.71; 101.39; |
COD ID: 2102179 | |
CIF file | Formula: - C15 H10 Cl2 O - Comments: Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B 56(6) (2000) 1071-1079 Space group: P -1 Cell volume: 639.735 Cell parameters: 5.7082; 11.3645; 11.5167; 117.268; 99.257; 96.726; |
COD ID: 2102180 | |
CIF file | Formula: - C15 H10 Cl2 O - Comments: Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B 56(6) (2000) 1071-1079 Space group: P -1 Cell volume: 641.866 Cell parameters: 5.728; 11.362; 11.521; 117.24; 99.25; 96.86; |
COD ID: 2102181 | |
CIF file | Formula: - C15 H10 Br2 O - Comments: Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B 56(6) (2000) 1071-1079 Space group: P -1 Cell volume: 674.9 Cell parameters: 5.7906; 11.325; 11.907; 115.67; 99.43; 97.91; |
COD ID: 2102182 | |
CIF file | Formula: - C27 H20 O - Comments: Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B 56(6) (2000) 1071-1079 Space group: P -1 Cell volume: 969.51 Cell parameters: 5.6413; 10.2599; 17.3238; 100.45; 97.79; 95.477; |
COD ID: 2102183 | |
CIF file | Formula: - C27 H15 Br3 Cl3 N3 O3 - Comments: Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R. Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene Acta Crystallographica Section B 56(6) (2000) 1080-1084 Space group: P 63 Cell volume: 1372.6 Cell parameters: 15.25; 15.25; 6.8149; 90; 90; 120; |
COD ID: 2102184 | |
CIF file | Formula: - C27 H15 Br3 Cl3 N3 O3 - Comments: Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R. Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene Acta Crystallographica Section B 56(6) (2000) 1080-1084 Space group: P 63 Cell volume: 1343.2 Cell parameters: 15.166; 15.166; 6.743; 90; 90; 120; |
COD ID: 2102185 | |
CIF file | Formula: - Dy2 O7 Si2 - Comments: Fleet, Michael E.; Liu, Xiaoyang Structure and complex twinning of dysprosium disilicate (Dy~2~Si~2~O~7~), Type B Acta Crystallographica Section B 56(6) (2000) 940-946 Space group: P -1 Cell volume: 529.39 Cell parameters: 6.6158; 6.6604; 12.0551; 94.373; 90.836; 91.512; |
COD ID: 2102186 | |
CIF file | Formula: - C12 H52 Cu4 N24 O10 S14 - Comments: Piro, O. E.; Piatti, R. C. V.; Bolzán, A. E.; Salvarezza, R. C.; Arvia, A. J. X-ray diffraction study of copper(I) thiourea complexes formed in sulfate-containing acid solutions Acta Crystallographica Section B 56(6) (2000) 993-997 Space group: P -1 Cell volume: 1254.6 Cell parameters: 11.079; 11.262; 12.195; 64.843; 76.119; 66.059; |
COD ID: 2102187 | |
CIF file | Formula: - C13 H10 N4 - Comments: Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R. Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction Acta Crystallographica Section B 56(6) (2000) 1085-1093 Space group: C 1 c 1 Cell volume: 1125.03 Cell parameters: 11.5945; 12.2912; 7.8944; 90; 90.018; 90; |
COD ID: 2102188 | |
CIF file | Formula: - C13 H10 N4 - Comments: Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R. Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction Acta Crystallographica Section B 56(6) (2000) 1085-1093 Space group: C 1 c 1 Cell volume: 1123.98 Cell parameters: 11.5972; 12.2873; 7.8877; 90; 90.021; 90; |
COD ID: 2102189 | |
CIF file | Formula: - C13 H10 N4 - Comments: Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R. Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction Acta Crystallographica Section B 56(6) (2000) 1085-1093 Space group: C 1 c 1 Cell volume: 1140.16 Cell parameters: 11.7304; 12.3278; 7.8844; 90; 90.173; 90; |
COD ID: 2102190 | |
CIF file | Formula: - C13 H10 N4 - Comments: Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R. Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction Acta Crystallographica Section B 56(6) (2000) 1085-1093 Space group: C 1 c 1 Cell volume: 1158.95 Cell parameters: 11.8751; 12.3735; 7.8876; 90; 90.412; 90; |
COD ID: 2102191 | |
CIF file | Formula: - C13 H10 N4 - Comments: Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R. Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction Acta Crystallographica Section B 56(6) (2000) 1085-1093 Space group: C 1 c 1 Cell volume: 1116 Cell parameters: 11.571; 12.258; 7.868; 90; 90.11; 90; |
COD ID: 2102192 | |
CIF file | Formula: - Cu7 P Se6 - Comments: Gaudin, E.; Petricek, V.; Boucher, F.; Taulelle, F.; Evain, M. Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) argyrodite-type ionic conductors. III. α-Cu~7~PSe~6~ Acta Crystallographica Section B 56(6) (2000) 972-979 Space group: P n a 21 Cell volume: 1028.59 Cell parameters: 14.3179; 7.1112; 10.1023; 90; 90; 90; |
COD ID: 2102193 | |
CIF file | Formula: - Cd2 O12 S3 Tl2 - Comments: Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H. X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate Acta Crystallographica Section B 56(6) (2000) 921-935 Space group: P 1 1 21 Cell volume: 1109.7 Cell parameters: 10.356; 10.35; 10.353; 90; 90; 90.04; |
COD ID: 2102194 | |
CIF file | Formula: - Cd2 O12 S3 Tl2 - Comments: Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H. X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate Acta Crystallographica Section B 56(6) (2000) 921-935 Space group: P 21 21 21 Cell volume: 1111.7 Cell parameters: 10.327; 10.345; 10.406; 90; 90; 90; |
COD ID: 2102195 | |
CIF file | Formula: - C30 H44 N8 O12 - Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions Acta Crystallographica Section B 56(6) (2000) 1054-1062 Space group: P -1 Cell volume: 868.09 Cell parameters: 8.7336; 10.9388; 11.0284; 114.58; 91.966; 111.674; |
COD ID: 2102196 | |
CIF file | Formula: - C24 H44 N4 O6 - Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions Acta Crystallographica Section B 56(6) (2000) 1054-1062 Space group: P 21 21 21 Cell volume: 2606.2 Cell parameters: 11.876; 13.8395; 15.8571; 90; 90; 90; |
COD ID: 2102197 | |
CIF file | Formula: - C24 H44 N4 O6 - Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions Acta Crystallographica Section B 56(6) (2000) 1054-1062 Space group: P 1 21/c 1 Cell volume: 2586.33 Cell parameters: 16.0262; 11.6461; 15.7907; 90; 118.652; 90; |
COD ID: 2102198 | |
CIF file | Formula: - C35 H66 O6 - Comments: Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols Acta Crystallographica Section B 56(6) (2000) 1103-1111 Space group: I b a 2 Cell volume: 7442.8 Cell parameters: 57.368; 22.783; 5.6945; 90; 90; 90; |
COD ID: 2102199 | |
CIF file | Formula: - C47 H90 O6 - Comments: Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols Acta Crystallographica Section B 56(6) (2000) 1103-1111 Space group: I b a 2 Cell volume: 9784 Cell parameters: 76.21; 22.63; 5.673; 90; 90; 90; |
COD ID: 2102200 | |
CIF file | Formula: - Ca2 H8 O11 P2 - Comments: Balić-Zunić, Tonci; Christoffersen, Margaret R.; Christoffersen, Jørgen Structure of the β form of calcium pyrophosphate tetrahydrate Acta Crystallographica Section B 56(6) (2000) 953-958 Space group: P 1 21/c 1 Cell volume: 918.4 Cell parameters: 12.287; 7.511; 10.775; 90; 112.542; 90; |
COD ID: 2102201 | |
CIF file | Formula: - C13 H14 O5 S Se - Comments: Sørensen, Henning Osholm; Stuhr-Hansen, Nicolai; Henriksen, Lars; Larsen, Sine Structural characterization of protonated benzeneseleninic acid, the dihydroxyselenonium ion Acta Crystallographica Section B 56(6) (2000) 1029-1034 Space group: P 1 21/c 1 Cell volume: 1406.9 Cell parameters: 5.8838; 16.0925; 14.929; 90; 95.547; 90; |
COD ID: 2102202 | |
CIF file | Formula: - C12 H12 O5 S Se - Comments: Sørensen, Henning Osholm; Stuhr-Hansen, Nicolai; Henriksen, Lars; Larsen, Sine Structural characterization of protonated benzeneseleninic acid, the dihydroxyselenonium ion Acta Crystallographica Section B 56(6) (2000) 1029-1034 Space group: F d d 2 Cell volume: 5238.2 Cell parameters: 40.641; 22.268; 5.7881; 90; 90; 90; |
COD ID: 2102203 | |
CIF file | Formula: - Cr0.05 K0.87 O5 P Sr0.06 Ti0.95 - Comments: Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation Acta Crystallographica Section B 56(6) (2000) 980-987 Space group: P n a 21 Cell volume: 863.02 Cell parameters: 12.786; 6.3927; 10.5585; 90; 90; 90; |
COD ID: 2102204 | |
CIF file | Formula: - Ba0.06 K0.88 O5 P Ti - Comments: Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation Acta Crystallographica Section B 56(6) (2000) 980-987 Space group: P n a 21 Cell volume: 875.9 Cell parameters: 12.851; 6.418; 10.62; 90; 90; 90; |
COD ID: 2102205 | |
CIF file | Formula: - C20 H23 N O2 - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P -1 Cell volume: 847.87 Cell parameters: 7.5866; 8.9294; 13.4851; 95.762; 106.263; 101.386; |
COD ID: 2102206 | |
CIF file | Formula: - C20 H26 O3 S - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P -1 Cell volume: 926.41 Cell parameters: 7.8841; 9.1401; 13.6505; 90.975; 105.924; 100.892; |
COD ID: 2102207 | |
CIF file | Formula: - C21 H27 N O3 - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P -1 Cell volume: 950 Cell parameters: 7.6393; 9.9833; 13.3161; 91.883; 104.036; 104.311; |
COD ID: 2102208 | |
CIF file | Formula: - C21 H26 O3 - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P -1 Cell volume: 1854.9 Cell parameters: 9.6266; 13.662; 15.365; 69.979; 77.853; 83.927; |
COD ID: 2102209 | |
CIF file | Formula: - C21 H28 O3 - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P 1 21/c 1 Cell volume: 1936.66 Cell parameters: 5.6981; 21.1274; 16.0891; 90; 90.914; 90; |
COD ID: 2102210 | |
CIF file | Formula: - C34 H60 O6 - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P -1 Cell volume: 935.32 Cell parameters: 6.2717; 7.433; 20.364; 85.14; 85.031; 82.626; |
COD ID: 2102211 | |
CIF file | Formula: - C20 H30 O5 - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P -1 Cell volume: 1021.32 Cell parameters: 7.7092; 8.932; 15.3466; 93.797; 100.629; 98.866; |
COD ID: 2102212 | |
CIF file | Formula: - C21 H32 O5 - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P -1 Cell volume: 1029.46 Cell parameters: 7.7102; 8.9295; 15.4299; 94.337; 100.071; 98.291; |
COD ID: 2102213 | |
CIF file | Formula: - C19 H25.58 O3.79 - Comments: Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B 56(6) (2000) 1094-1102 Space group: P -1 Cell volume: 870.95 Cell parameters: 7.5712; 9.1543; 13.5964; 73.691; 75.46; 80.517; |
COD ID: 2102214 | |
CIF file | Formula: - D K S - Comments: Haarmann, Frank; Jacobs, Herbert; Reehuis, Manfred; Loose, Anja Anharmonicity of potentials of atoms in potassium hydrogensulfide (KDS) determined by neutron single-crystal diffraction Acta Crystallographica Section B 56(6) (2000) 988-992 Space group: R -3 m :H Cell volume: 215.4 Cell parameters: 4.988; 4.988; 9.997; 90; 90; 120; |
COD ID: 2105357 | |
CIF file | Formula: - Ag2 O3 Sn - Comments: Carlsson, A.; Linke, C.; Svensson, C.; Bovin, J.O.; Oku, T.; Wallenberg, L.R.; Jansen, M. Modulated structure of Ag2 Sn O3 studied by high-resolution electron microscopy Acta Crystallographica B (39,1983-) 56 (2000) 363-368 Space group: P 21 21 21 Cell volume: 2080.62 Cell parameters: 29.21999; 12.67; 5.62; 90; 90; 90; |
COD ID: 2106073 | |
CIF file | Formula: - Bi0.868 O2 Sr - Comments: Leligny, H.; Grebille, D.; Perez, O.; Masset, A.C.; Hervieu, M.; Raveau, B. A five-dimensional structural investigation of the misfit layer compound (Bi0.87 Sr O2)2 (Co O2)1.82 Acta Crystallographica B (39,1983-) 56 (2000) 173-182 Space group: I 1 2/a 1 Cell volume: 747.288 Cell parameters: 4.905; 5.112; 29.857; 90; 93.45; 90; |
COD ID: 6000092 | |
CIF file | Formula: - Co O6 Pb2 W - Comments: Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E. Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6 Acta Crystallographica B 56(4) (2000) 570-576 Space group: I2/m Cell volume: 257.47 Cell parameters: 7.9602; 5.6779; 5.6967; 90; 90.047; 90; |
COD ID: 9007697 | |
CIF file | Formula: - Cu6 O8 Pb - Comments: Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J. Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at ambient conditions Acta Crystallographica, Section B 56(1) (2000) 22-26 Space group: F m -3 m Cell volume: 807.995 Cell parameters: 9.314; 9.314; 9.314; 90; 90; 90; |
COD ID: 9007698 | |
CIF file | Formula: - Cu6 O8 Pb - Comments: Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J. Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at high pressure Acta Crystallographica, Section B 56(1) (2000) 22-26 Space group: F m -3 m Cell volume: 641.173 Cell parameters: 8.623; 8.623; 8.623; 90; 90; 90; |
COD ID: 9011298 | |
CIF file | Formula: - H34 O40 U8 - Comments: Weller, M. T.; Light, M. E.; Gelbrich, T. Structure of uranium (VI) oxide dihydrate UO3*2H2O; synthetic meta-schoepite (UO2)4O(OH)6*5H2O Sample: T = 150 K Acta Crystallographica, Section B 56(4) (2000) 577-583 Space group: P b c n Cell volume: 3429.97 Cell parameters: 14.6861; 13.9799; 16.7063; 90; 90; 90; |
COD ID: 9011299 | |
CIF file | Formula: - Al3 H21.52 N2.38 Na0.26 O20.64 Si5 - Comments: Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 1 Acta Crystallographica, Section B 56(4) (2000) 584-593 Space group: P 1 21/m 1 Cell volume: 1018.97 Cell parameters: 10.0507; 14.2016; 8.7281; 90; 125.123; 90; |
COD ID: 9011300 | |
CIF file | Formula: - Al2.2 H20.08 N2.02 Na0.2 O20.74 Si5.8 - Comments: Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 2 Acta Crystallographica, Section B 56(4) (2000) 584-593 Space group: P 1 21/m 1 Cell volume: 1015.82 Cell parameters: 10.0122; 14.1943; 8.7284; 90; 125.024; 90; |
COD ID: 9011301 | |
CIF file | Formula: - Al1.9 H18.8 N1.7 Na0.2 O21.18 Si6.1 - Comments: Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 3 Acta Crystallographica, Section B 56(4) (2000) 584-593 Space group: P 1 21/m 1 Cell volume: 1008.71 Cell parameters: 9.9596; 14.2015; 8.7051; 90; 124.99; 90; |
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