Crystallography Open Database

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2101955 CIF
Paper
C6 H16 N2 O6P 21 21 219.572; 10.039; 10.548
90; 90; 90
1013.6Benabicha, Farid; Pichon-Pesme, Virginie; Jelsch, Christian; Lecomte, Claude; Khmou, Ahmed
Experimental charge density and electrostatic potential of glycyl-<small>L</small>-threonine dihydrate
Acta Crystallographica Section B, 2000, 56, 155-165
2101956 CIF
HKL
Paper
C24 H50 N4 O8P 1 21/n 113.3213; 14.0499; 16.0491
90; 110.549; 90
2812.67Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher
Two different three-dimensional hydrogen-bonded framework structures in two hydrated adducts <i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane‒terephthalic acid‒water (1/1/4) and (1/1/6)
Acta Crystallographica Section B, 2000, 56, 85-93
2101957 CIF
HKL
Paper
C24 H54 N4 O10P 1 21/c 18.1772; 12.3974; 16.8804
90; 116.231; 90
1535.04Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher
Two different three-dimensional hydrogen-bonded framework structures in two hydrated adducts <i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane‒terephthalic acid‒water (1/1/4) and (1/1/6)
Acta Crystallographica Section B, 2000, 56, 85-93
2101958 CIF
Paper
C11 H11 N O2P 1 21/c 18.542; 13.408; 8.638
90; 99.7; 90
975.18Nigović, 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, 2000, 56, 94-111
2101959 CIF
Paper
C11 H11 N O2P 1 21/n 18.68; 7.624; 15.044
90; 101.87; 90
974.27Nigović, 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, 2000, 56, 94-111
2101960 CIF
Paper
C11 H11 N O2P b c a6.216; 38.627; 8.031
90; 90; 90
1928.3Nigović, 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, 2000, 56, 94-111
2101961 CIF
Paper
C11 H11 N O2P 1 21/c 119.353; 5.074; 10.275
90; 109; 90
954Nigović, 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, 2000, 56, 94-111
2101962 CIF
Paper
C12 H13 N O2P 1 21/n 19.288; 7.44; 14.776
90; 103.53; 90
992.72Nigović, 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, 2000, 56, 94-111
2101963 CIF
Paper
C12 H13 N O2P 1 21/c 122.455; 5.286; 9.313
90; 110.89; 90
1032.8Nigović, 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, 2000, 56, 94-111
2101964 CIF
Paper
C10 H9 N O2P 1 21/c 117.81; 5.175; 9.534
90; 106.7; 90
841.66Nigović, 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, 2000, 56, 94-111
2101965 CIF
HKL
Paper
C46 H104 N14 O12P -18.39; 9.894; 18.908
105.06; 94.91; 93.82
1503.6Feng 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, 2000, 56, 142-154
2101966 CIF
HKL
Paper
C25 H58 N4 O10P -19.432; 12.601; 14.804
79.98; 79.2; 84.18
1697.7Feng 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, 2000, 56, 142-154
2101967 CIF
HKL
Paper
C35 H86 N7 O15.5P -113.25; 14.034; 15.26
72.46; 78.32; 66.95
2478.1Feng 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, 2000, 56, 142-154
2101968 CIF
HKL
Paper
C35 H78 N6 O13P n a 2116.467; 33.109; 8.344
90; 90; 90
4549.2Feng 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, 2000, 56, 142-154
2101969 CIF
HKL
Paper
C7 H16 Br N O2P 1 21/n 16.793; 13.85; 11.42
90; 102.71; 90
1048.1Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg
<i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16
Acta Crystallographica Section B, 2000, 56, 124-131
2101970 CIF
Paper
C9 H20 Br N O2P -16.771; 7.599; 12.273
94.17; 92.04; 98.83
621.6Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg
<i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16
Acta Crystallographica Section B, 2000, 56, 124-131
2101971 CIF
Paper
C10 H22 Br N O2P -16.739; 7.525; 13.67
85.61; 86.18; 79.81
679.3Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg
<i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16
Acta Crystallographica Section B, 2000, 56, 124-131
2101972 CIF
Paper
C11 H24 Br N O2P -16.872; 7.519; 14.107
85.59; 87.2; 81.44
718.1Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg
<i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16
Acta Crystallographica Section B, 2000, 56, 124-131
2101973 CIF
HKL
Paper
C5 H12 Br N O2P 1 21/c 17.613; 9.236; 11.853
90; 98.08; 90
825.2Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg
<i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16
Acta Crystallographica Section B, 2000, 56, 124-131
2101974 CIF
Paper
C18 H38 Br N O2P -16.778; 7.484; 21.348
87.34; 86.96; 79.04
1060.9Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg
<i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16
Acta Crystallographica Section B, 2000, 56, 124-131
2101975 CIF
Paper
C20 H42 Br N O2P -16.762; 7.466; 23.4
86.9; 83.14; 78.87
1150.3Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg
<i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16
Acta Crystallographica Section B, 2000, 56, 124-131
2101976 CIF
Paper
C40 H56 N4 O4P -18.6323; 9.943; 12.582
98.783; 102.785; 115.746
909.8Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J.
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions
Acta Crystallographica Section B, 2000, 56, 39-57
2101977 CIF
Paper
C42 H64 N4 O6 S2P 1 21/c 110.659; 17.892; 11.679
90; 103.107; 90
2169.3Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J.
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions
Acta Crystallographica Section B, 2000, 56, 39-57
2101978 CIF
Paper
C42 H64 N4 O10 S2P 1 21/c 110.7736; 18.1167; 11.5532
90; 101.136; 90
2212.5Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J.
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions
Acta Crystallographica Section B, 2000, 56, 39-57
2101979 CIF
Paper
C32 H56 N4 O8P -18.0814; 10.1981; 10.78
79.789; 80.728; 80.28
853.89Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J.
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions
Acta Crystallographica Section B, 2000, 56, 39-57
2101980 CIF
Paper
C31 H52 N4 O7P -19.4481; 9.8905; 18.0942
88.704; 78.675; 77.525
1618.43Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J.
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions
Acta Crystallographica Section B, 2000, 56, 39-57
2101981 CIF
Paper
C40 H68 N4 O14 P4P 1 21/c 18.7391; 26.1558; 10.7871
90; 107.267; 90
2354.57Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J.
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions
Acta Crystallographica Section B, 2000, 56, 39-57
2101982 CIF
Paper
C30 H48 N4 O8P 1 21/c 18.9162; 11.8903; 14.5229
90; 100.419; 90
1514.3Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J.
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions
Acta Crystallographica Section B, 2000, 56, 39-57
2101983 CIF
Paper
C52 H66 N4 O6P 1 21/c 19.9634; 18.8981; 12.2344
90; 97.725; 90
2282.7Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J.
<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions
Acta Crystallographica Section B, 2000, 56, 39-57
2101984 CIF
HKL
Paper
C15 H13 N O2 SP b c a21.595; 14.518; 7.953
90; 90; 90
2493.4Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher
Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione
Acta Crystallographica Section B, 2000, 56, 58-67
2101985 CIF
Paper
C13 H9 N O3 SP 1 21/a 17.51; 21.16; 7.66
90; 92.043; 90
1216Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher
Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione
Acta Crystallographica Section B, 2000, 56, 58-67
2101986 CIF
HKL
Paper
C10 H8 N2 O4 SP 1 21/a 17.918; 13.132; 10.983
90; 110.7; 90
1068Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher
Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione
Acta Crystallographica Section B, 2000, 56, 58-67
2101987 CIF
Paper
H3.6 O24 Si11.04P n m a20.0511; 19.8757; 13.36823
90; 90; 90
5327.64Artioli, G.; Lamberti, C.; Marra, G.L.
Neutron powder diffraction study of orthorhombic and monoclinic defective silicalite
Acta Crystallographica Section B, 2000, 56, 2-10
2101988 CIF
Paper
H3.6 O24 Si11.04P 1 21/n 119.8352; 20.0903; 13.3588
90; 90.892; 90
5322.77Artioli, G.; Lamberti, C.; Marra, G.L.
Neutron powder diffraction study of orthorhombic and monoclinic defective silicalite
Acta Crystallographica Section B, 2000, 56, 2-10
2101989 CIF
HKL
Paper
C15 H14 O3 SP 1 21/n 110.4698; 10.277; 25.449
90; 98.429; 90
2708.7Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J.
Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones
Acta Crystallographica Section B, 2000, 56, 112-117
2101990 CIF
HKL
Paper
C15 H13 N O5 SP 21 21 215.5704; 8.619; 30.356
90; 90; 90
1457.4Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J.
Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones
Acta Crystallographica Section B, 2000, 56, 112-117
2101991 CIF
HKL
Paper
C15 H13 N O5 SP -16.7468; 7.4303; 15.201
85.25; 79.56; 75.39
724.64Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J.
Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones
Acta Crystallographica Section B, 2000, 56, 112-117
2101992 CIF
HKL
Paper
C40 H43 N3 O12 S3P c c n13.7305; 14.9948; 19.4209
90; 90; 90
3998.5Glidewell, 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, 2000, 56, 68-84
2101993 CIF
HKL
Paper
C85 H89 N3 O13P -110.7171; 11.2112; 15.5547
101.069; 92.924; 97.291
1813.9Glidewell, 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, 2000, 56, 68-84
2101994 CIF
HKL
Paper
C18 H25 N3 O8P 1 21/c 18.2469; 10.527; 23.052
90; 98.144; 90
1981.1Glidewell, 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, 2000, 56, 68-84
2101995 CIF
HKL
Paper
C86 H104 N8 O14P 1 21 110.0041; 41.5502; 10.2715
90; 112.746; 90
3937.52Glidewell, 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, 2000, 56, 68-84
2101996 CIF
Paper
N Na O2I m 2 m3.5024; 5.5209; 5.3789
90; 90; 90
104.01Gohda, Takashi
X-ray study of deformation density and spontaneous polarization in ferroelectric NaNO~2~
Acta Crystallographica Section B, 2000, 56, 11-16
2101997 CIF
Paper
Br2 Co0.5 RbP n a m9.732; 13.328; 7.654
90; 90; 90
992.8Friese, K.; Madariaga, G.; Breczewski, T.
Incommensurately modulated phase of Rb~2~CoBr~4~ at 295 and 200K
Acta Crystallographica Section B, 2000, 56, 17-21
2101998 CIF
Paper
Br4 Co Rb2P n a m9.691; 13.278; 7.63
90; 90; 90
981.8Friese, K.; Madariaga, G.; Breczewski, T.
Incommensurately modulated phase of Rb~2~CoBr~4~ at 295 and 200K
Acta Crystallographica Section B, 2000, 56, 17-21
2101999 CIF
Paper
Hf0.8 O3 Pb Ti0.2R 3 c :H5.7827; 5.7827; 14.2702
90; 90; 120
413.259Christophe 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, 2000, 56, 27-38
2102000 CIF
Paper
Hf0.8 O3 Pb Ti0.2R 3 c :H5.7871; 5.7871; 14.2735
90; 90; 120
413.984Christophe 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, 2000, 56, 27-38
2102001 CIF
Paper
Hf0.8 O3 Pb Ti0.2R 3 c :H5.7943; 5.7943; 14.2742
90; 90; 120
415.035Christophe 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, 2000, 56, 27-38
2102002 CIF
Paper
Hf0.8 O3 Pb Ti0.2R 3 c :H5.8025; 5.8025; 14.2648
90; 90; 120
415.94Christophe 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, 2000, 56, 27-38
2102003 CIF
Paper
Hf0.8 O3 Pb Ti0.2P m -3 m4.1072; 4.1072; 4.1072
90; 90; 90
69.285Christophe 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, 2000, 56, 27-38
2102004 CIF
Paper
Cu6 O8 PbF m -3m9.314; 9.314; 9.314
90; 90; 90
807.99Winkler, Björn; Chall, Michael; Pickard, Chris J.; Milman, Victor; White, Jim
Structure of Cu~6~PbO~8~
Acta Crystallographica Section B, 2000, 56, 22-26
2102005 CIF
Paper
Cu6 O8 PbF m -3m8.623; 8.623; 8.623
90; 90; 90
641.2Winkler, Björn; Chall, Michael; Pickard, Chris J.; Milman, Victor; White, Jim
Structure of Cu~6~PbO~8~
Acta Crystallographica Section B, 2000, 56, 22-26
2102006 CIF
Paper
F Nb O2R -3 c5.52; 5.52; 13.52
90; 90; 120
356.768Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102007 CIF
Paper
F Nb O2R -3 c5.3067; 5.3067; 13.5495
90; 90; 120
330.45Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102008 CIF
Paper
F Nb O2R -3 c5.2357; 5.2357; 13.5542
90; 90; 120
321.78Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102009 CIF
Paper
F Nb O2R -3 c5.1232; 5.1232; 13.6017
90; 90; 120
309.18Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102010 CIF
Paper
F Nb O2R -3 c4.9462; 4.9462; 13.6689
90; 90; 120
289.61Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102011 CIF
Paper
F Nb O2R -3 c4.8552; 4.8552; 13.7
90; 90; 120
279.68Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102012 CIF
Paper
F Nb O2R -3 c4.8232; 4.8232; 13.7125
90; 90; 120
276.26Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.
High-pressure transformations of NbO~2~F
Acta Crystallographica Section B, 2000, 56, 189-196
2102013 CIF
Paper
C8 H9 N O2P 1 21/n 16.98; 8.915; 11.566
90; 98.54; 90
711.7Boldyreva, 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, 2000, 56, 299-309
2102014 CIF
Paper
C8 H9 N O2P 1 21/n 16.885; 8.5819; 11.519
90; 99.12; 90
672.01Boldyreva, 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, 2000, 56, 299-309
2102015 CIF
Paper
C8 H9 N O2P 1 21/n 16.82; 8.374; 11.559
90; 99.32; 90
651.43Boldyreva, 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, 2000, 56, 299-309
2102016 CIF
Paper
C8 H9 N O2P 1 21/n 16.625; 7.985; 11.916
90; 99.41; 90
621.9Boldyreva, 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, 2000, 56, 299-309
2102017 CIF
Paper
Ce0.33333 Nb O3P 1 2/m 15.5267; 7.8824; 5.5245
90; 90.294; 90
240.664Bridges, 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, 2000, 56, 183-188
2102018 CIF
Paper
C39.5 H64 Cs2 P2P -114.6241; 14.7393; 22.072
72.2117; 73.3659; 70.2953
4174.81Rheingold, A. L.; Concolino, T. E.; Lam, K.-C.; Guzei, I. A.; Rabe, G. W.; Heise, H.
Two phases of {[CsPH(η^6^-2,4,6-<i>^t^</i>Bu~3~C~6~H~2~)]~2~(η^3^-toluene)~0.5~}~<i>x~</i>: their structures and interconversions
Acta Crystallographica Section B, 2000, 56, 210-214
2102019 CIF
HKL
Paper
C148 H132 N2 O16 Si12P -114.2354; 15.296; 18.747
71.764; 88.862; 62.544
3402.7O'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, 2000, 56, 273-286
2102020 CIF
HKL
Paper
C87 H79 N3 O8 Si6P -110.7764; 12.8122; 15.1733
91.999; 94.851; 109.063
1968.6O'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, 2000, 56, 273-286
2102021 CIF
HKL
Paper
C30 H34 N4 O3 Si2P 1 21/c 116.1555; 8.4622; 21.8427
90; 97.386; 90
2961.4O'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, 2000, 56, 273-286
2102022 CIF
HKL
Paper
C34 H30 N2 O3 Si2P -18.9245; 10.19; 17.366
99.57; 100.519; 93.8
1523.5O'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, 2000, 56, 273-286
2102023 CIF
HKL
Paper
C52 H48 N2 O6 Si4P -18.8365; 10.8028; 13.3231
108.74; 89.774; 94.792
1199.8O'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, 2000, 56, 273-286
2102024 CIF
HKL
Paper
C29 H27 N O3 Si2P -16.4469; 10.2837; 10.6088
74.645; 81.968; 85.511
671O'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, 2000, 56, 273-286
2102025 CIF
HKL
Paper
C28 H26 N2 O3 Si2P -16.4358; 10.2497; 10.4056
76; 84.438; 86.372
662.32O'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, 2000, 56, 273-286
2102026 CIF
Paper
C30 H22 N4 O8P -17.3974; 9.6352; 10.1688
64.872; 72.375; 76.612
620.92Lough, 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, 2000, 56, 261-272
2102027 CIF
Paper
C22 H30 N8 O8P -19.7029; 10.9369; 16.7647
84.271; 79.399; 75.264
1688.55Lough, 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, 2000, 56, 261-272
2102028 CIF
Paper
C57 H104 O6P -111.665; 44.933; 5.432
87.034; 100.17; 89.09
2798Culot, 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, 2000, 56, 317-321
2102029 CIF
HKL
Paper
C24 H24 B NI -4 2 m11.1208; 11.1208; 8.0033
90; 90; 90
989.79Steiner, Thomas; Mason, Sax A.
Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction
Acta Crystallographica Section B, 2000, 56, 254-260
2102030 CIF
HKL
Paper
C24 H24 B NI -4 2 m11.2255; 11.2255; 8.0745
90; 90; 90
1017.5Steiner, Thomas; Mason, Sax A.
Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction
Acta Crystallographica Section B, 2000, 56, 254-260
2102031 CIF
Paper
C4 H12 Cd Cl3 NP 63/m9.126; 9.126; 6.718
90; 90; 120
484.5Peral, 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, 2000, 56, 215-225
2102032 CIF
Paper
C48 H58 N6 O8 S2P 1 21/n 118.0527; 13.1074; 20.5723
90; 108.252; 90
4622.98Glidewell, 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, 2000, 56, 287-298
2102033 CIF
Paper
C60 H72 N6 O8P 1 21/c 112.3442; 7.6496; 29.1745
90; 110.686; 90
2577.29Glidewell, 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, 2000, 56, 287-298
2102034 CIF
Paper
Al H24 K O20 S2P a -312.135; 12.135; 12.135
90; 90; 90
1786.98Nyburg, 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, 2000, 56, 204-209
2102035 CIF
Paper
Al H24 K O20 S2P a -312.164; 12.164; 12.164
90; 90; 90
1799.82Nyburg, 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, 2000, 56, 204-209
2102036 CIF
Paper
Al H24 O20 S2 TlP a -312.207; 12.207; 12.207
90; 90; 90
1818.98Nyburg, 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, 2000, 56, 204-209
2102037 CIF
Paper
Al H24 O20 S2 TlP a -312.2305; 12.2305; 12.2305
90; 90; 90
1829.5Nyburg, 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, 2000, 56, 204-209
2102038 CIF
Paper
Cr H24 K O20 S2P a -312.2133; 12.2133; 12.2133
90; 90; 90
1821.79Nyburg, 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, 2000, 56, 204-209
2102039 CIF
Paper
Cr H24 K O20 S2P a -312.2305; 12.2305; 12.2305
90; 90; 90
1829.5Nyburg, 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, 2000, 56, 204-209
2102040 CIF
Paper
Ga H24 O20 Rb S2P a -312.2679; 12.2679; 12.2679
90; 90; 90
1846.34Nyburg, 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, 2000, 56, 204-209
2102041 CIF
Paper
Ga H24 O20 S2 TlP a -312.2368; 12.2368; 12.2368
90; 90; 90
1832.33Nyburg, 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, 2000, 56, 204-209
2102042 CIF
Paper
C98.32 H223.88 O102.63P 118.153; 15.456; 15.251
102.81; 113.13; 99.9
3674Makedonopoulou, 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, 2000, 56, 322-331
2102043 CIF
HKL
Paper
C97.03 H209.44 O96.69P 118.22; 15.488; 15.409
102.903; 113.122; 99.708
3735.3Makedonopoulou, 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, 2000, 56, 322-331
2102044 CIF
Paper
C36 H30 As2 Cl2 PtP 1 21/n 19.2706; 19.726; 9.83
90; 111.83; 90
1668.7Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke
Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II)
Acta Crystallographica Section B, 2000, 56, 226-233
2102045 CIF
Paper
C38 H34 As2 Cl6 PtP b c a20.582; 8.146; 23.491
90; 90; 90
3938.5Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke
Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II)
Acta Crystallographica Section B, 2000, 56, 226-233
2102046 CIF
Paper
C38 H34 As2 Cl4 PtP -19.3899; 9.5481; 11.931
109.7; 108.26; 98.77
915.6Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke
Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II)
Acta Crystallographica Section B, 2000, 56, 226-233
2102047 CIF
HKL
Paper
C39 H33 As2 Cl2 PtP 1 21/n 111.778; 18.712; 16.647
90; 104.78; 90
3547.4Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke
Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II)
Acta Crystallographica Section B, 2000, 56, 226-233
2102048 CIF
Paper
C18 H16 N2 O4 S2P 1 21/c 19.0603; 10.6109; 9.4613
90; 101.893; 90
890.1Nagel, 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, 2000, 56, 234-244
2102049 CIF
Paper
C18 H16 N2 O4 S2P 1 21/n 110.6449; 6.451; 13.1061
90; 96.195; 90
894.74Nagel, 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, 2000, 56, 234-244
2102050 CIF
Paper
C21 H22 N2 O5 S2P b c n17.503; 7.731; 15.188
90; 90; 90
2055.2Nagel, 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, 2000, 56, 234-244
2102051 CIF
Paper
C22 H28 N2 O6 S4P -18.4277; 13.0779; 13.401
116.532; 97.1; 90.425
1308.1Nagel, 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, 2000, 56, 234-244
2102052 CIF
Paper
C20 H4 Co D27 N6 O4P 1 21 19.6772; 13.8988; 8.9432
90; 96.322; 90
1195.56Ohhara, 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, 2000, 56, 245-253
2102053 CIF
Paper
C20 H4 Co D27 N6 O4P 1 21 19.1579; 13.9694; 9.2757
90; 99.954; 90
1168.78Ohhara, 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, 2000, 56, 245-253
2102054 CIF
Paper
C20 H4 Co D27 N6 O4P 1 21 19.1579; 13.9694; 9.2757
90; 99.954; 90
1168.78Ohhara, 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, 2000, 56, 245-253

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