Search results

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 meso-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

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 meso-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

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

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

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

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

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

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

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

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

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

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

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

Formula: - C7 H16 Br N O2 -
Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg N-n-Alkyl N,N-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths n~=~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

Formula: - C9 H20 Br N O2 -
Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg N-n-Alkyl N,N-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths n~=~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

Formula: - C10 H22 Br N O2 -
Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg N-n-Alkyl N,N-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths n~=~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

Formula: - C11 H24 Br N O2 -
Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg N-n-Alkyl N,N-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths n~=~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

Formula: - C5 H12 Br N O2 -
Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg N-n-Alkyl N,N-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths n~=~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

Formula: - C18 H38 Br N O2 -
Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg N-n-Alkyl N,N-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths n~=~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

Formula: - C20 H42 Br N O2 -
Comments: Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg N-n-Alkyl N,N-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths n~=~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

Formula: - C40 H56 N4 O4 -
Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. meso-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

Formula: - C42 H64 N4 O6 S2 -
Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. meso-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

Formula: - C42 H64 N4 O10 S2 -
Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. meso-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

Formula: - C32 H56 N4 O8 -
Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. meso-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

Formula: - C31 H52 N4 O7 -
Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. meso-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

Formula: - C40 H68 N4 O14 P4 -
Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. meso-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

Formula: - C30 H48 N4 O8 -
Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. meso-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

Formula: - C52 H66 N4 O6 -
Comments: Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. meso-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

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 (E)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, S-(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

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 (E)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, S-(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

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 (E)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, S-(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 Original IUCr paper	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 Original IUCr paper	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

Formula: - C15 H14 O3 S -
Comments: Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J. Preferred conformations in the solid state of some α-(p-phenylsulfinyl)-p-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

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-(p-phenylsulfinyl)-p-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

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-(p-phenylsulfinyl)-p-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

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

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

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

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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

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

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

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

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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

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

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

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 Original IUCr paper	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

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-^t^Bu~3~C~6~H~2~)]~2~(η^3^-toluene)~0.5~}~x~: 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

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

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

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

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

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

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

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

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

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 Original IUCr paper	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

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

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

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

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

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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

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

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 trans-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

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 trans-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

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 trans-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

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 trans-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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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

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

COD ID: 2102055

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

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

Formula: - Cu7 P Se6 -
Comments: Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M. Structures and phase transitions of the A~7~PSe~6~ (A~=~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

Formula: - Cu7 P Se6 -
Comments: Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M. Structures and phase transitions of the A~7~PSe~6~ (A~=~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

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

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

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 Original IUCr paper	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

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

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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 Original IUCr paper	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 Original IUCr paper	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

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 meta-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

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 L-histidine and L-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

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 L-histidine and L-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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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 myo-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

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 myo-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

Formula: - C10 H11 N O -
Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of trans-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 Original IUCr paper	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

Formula: - C9 H8 Cl N O -
Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of trans-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 Original IUCr paper	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

Formula: - C7 H7 N O S -
Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of trans-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

Formula: - C9 H9 N O -
Comments: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of trans-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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

Formula: - H2 O8 P2 Zr -
Comments: Krogh Andersen, Anne Marie; Norby, Poul Ab initio structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from in situ 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

Formula: - O7 P2 Zr -
Comments: Krogh Andersen, Anne Marie; Norby, Poul Ab initio structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from in situ 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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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 Original IUCr paper	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 Original IUCr paper	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

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

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

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

COD ID: 2102129

COD ID: 2102130

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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

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

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 Original IUCr paper	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

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

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

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

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

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

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 Original IUCr paper	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

Formula: - C10 H15 N5 O4 -
Comments: Low, John N.; Ferguson, George; Glidewell, Christopher N-(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

Formula: - C8 H13 N5 O6 -
Comments: Low, John N.; Ferguson, George; Glidewell, Christopher N-(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

Formula: - C9 H13 N5 O5 -
Comments: Low, John N.; Ferguson, George; Glidewell, Christopher N-(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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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

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

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

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

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

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

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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

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

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

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

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 5H,10H-dithiolo[2,3-b]-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

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 5H,10H-dithiolo[2,3-b]-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

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 5H,10H-dithiolo[2,3-b]-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 Original IUCr paper	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

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

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

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

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

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 gem-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-trans-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

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 gem-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-trans-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

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 gem-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-trans-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

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 gem-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

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 gem-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

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 gem-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

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 gem-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

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 gem-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

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

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 Original IUCr paper	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

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

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

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

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

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

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 Original IUCr paper	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

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

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

Formula: - C30 H44 N8 O12 -
Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of meso 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

Formula: - C24 H44 N4 O6 -
Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of meso 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

Formula: - C24 H44 N4 O6 -
Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of meso 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

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~n~C~n~+2C~n~-type (n = 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

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~n~C~n~+2C~n~-type (n = 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

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

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

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

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 Original IUCr paper	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

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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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 Original IUCr paper	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

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