Crystallography Open Database

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2104048 CIF
Paper
C3 D4 O4P -15.333; 5.158; 11.25
103.33; 136.4; 84.76
206.34McMullan, R. K.; Klooster, W. T.; Weber, H.-P.
Deuterated γ-malonic acid: its neutron crystal structure in relationship to other polymorphs of aliphatic dicarboxylic acids
Acta Crystallographica Section B, 2008, 64, 230-239
2104049 CIF
Paper
C12 H15 N O3P 21 21 214.991; 8.7145; 28.0411
90; 90; 90
1219.62Janik, Alicja; Jarocha, Monika; Stadnicka, Katarzyna
Pseudopolymorphism of <i>N</i>-acetyl-<small>L</small>-phenylalanine methyl ester
Acta Crystallographica Section B, 2008, 64, 223-229
2104050 CIF
Paper
C12 H15 N O3P 21 21 214.9488; 8.6359; 27.6622
90; 90; 90
1182.21Janik, Alicja; Jarocha, Monika; Stadnicka, Katarzyna
Pseudopolymorphism of <i>N</i>-acetyl-<small>L</small>-phenylalanine methyl ester
Acta Crystallographica Section B, 2008, 64, 223-229
2104051 CIF
Paper
C24 H32 N2 O7P 41 21 27.1582; 7.1582; 47.5286
90; 90; 90
2435.36Janik, Alicja; Jarocha, Monika; Stadnicka, Katarzyna
Pseudopolymorphism of <i>N</i>-acetyl-<small>L</small>-phenylalanine methyl ester
Acta Crystallographica Section B, 2008, 64, 223-229
2104052 CIF
Paper
C24 H32 N2 O7P 41 21 27.09; 7.09; 47.1426
90; 90; 90
2369.77Janik, Alicja; Jarocha, Monika; Stadnicka, Katarzyna
Pseudopolymorphism of <i>N</i>-acetyl-<small>L</small>-phenylalanine methyl ester
Acta Crystallographica Section B, 2008, 64, 223-229
2104053 CIF
HKL
Paper
Pr2 S5 SnP b a m7.8195; 11.2145; 3.9462
90; 90; 90
346.05Daszkiewicz, Marek; Gulay, Lubomir D.; Shemet, Vasylyna Ya.
Crystal architecture of <i>R</i>~2~SnS~5~ (<i>R</i> = Pr, Nd, Gd and Tb): crystal structure relationships in chalcogenides
Acta Crystallographica Section B, 2008, 64, 172-176
2104054 CIF
HKL
Paper
Nd2 S5 SnP b a m7.7721; 11.218; 3.9272
90; 90; 90
342.4Daszkiewicz, Marek; Gulay, Lubomir D.; Shemet, Vasylyna Ya.
Crystal architecture of <i>R</i>~2~SnS~5~ (<i>R</i> = Pr, Nd, Gd and Tb): crystal structure relationships in chalcogenides
Acta Crystallographica Section B, 2008, 64, 172-176
2104055 CIF
HKL
Paper
Gd2 S5 SnP b a m7.733; 11.29; 3.8217
90; 90; 90
333.66Daszkiewicz, Marek; Gulay, Lubomir D.; Shemet, Vasylyna Ya.
Crystal architecture of <i>R</i>~2~SnS~5~ (<i>R</i> = Pr, Nd, Gd and Tb): crystal structure relationships in chalcogenides
Acta Crystallographica Section B, 2008, 64, 172-176
2104056 CIF
HKL
Paper
S5 Sn Tb2P b a m7.717; 11.246; 3.8056
90; 90; 90
330.27Daszkiewicz, Marek; Gulay, Lubomir D.; Shemet, Vasylyna Ya.
Crystal architecture of <i>R</i>~2~SnS~5~ (<i>R</i> = Pr, Nd, Gd and Tb): crystal structure relationships in chalcogenides
Acta Crystallographica Section B, 2008, 64, 172-176
2104057 CIF
Paper
C57 H108 O6P -15.42455; 11.952; 44.644
92.004; 88.763; 100.18
2846.8van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104058 CIF
Paper
C53 H100 O6P -15.41671; 12.1288; 41.535
88.341; 92.085; 99.95
2685.2van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104059 CIF
Paper
C53 H102 O6P -15.4386; 12.18024; 41.596
88.7263; 93.1027; 99.9736
2709.61van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104060 CIF
Paper
C57 H108 O6P -15.4369; 11.8693; 44.737
92.09; 88.668; 100.286
2838.28van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104061 CIF
Paper
C55 H106 O6P -15.41167; 11.139; 46.455
91.487; 94.851; 96.754
2769.1van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104062 CIF
Paper
C53 H102 O6P -15.4368; 11.9241; 41.9311
88.183; 91.153; 100.016
2675.28van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104063 CIF
Paper
C53 H100 O6P -15.4464; 12.1806; 41.9396
89.89; 91.675; 100.441
2735.04van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104064 CIF
Paper
C47 H90 O6P -15.45706; 12.1401; 37.369
92.323; 89.791; 100.448
2432.6van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104065 CIF
Paper
C43 H82 O6P -15.44421; 11.4534; 36.6924
90.791; 95.527; 97.1768
2258.69van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104066 CIF
Paper
C41 H78 O6P -15.46035; 12.1468; 33.0451
96.186; 87.054; 100.48
2141.5van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. III. The β-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols
Acta Crystallographica Section B, 2008, 64, 240-248
2104067 CIF
Paper
C53 H100 O6I 1 2 122.7149; 5.65579; 85.11
90; 90.204; 90
10934.1van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104068 CIF
Paper
C53 H102 O6I 1 2 122.2531; 5.6339; 85.263
90; 90.797; 90
10688.5van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104069 CIF
Paper
C53 H100 O6I 1 2 122.988; 5.6407; 86.265
90; 93.523; 90
11164.7van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104070 CIF
Paper
C53 H102 O6I 1 2 122.7505; 5.6498; 86.746
90; 93.968; 90
11123.2van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104071 CIF
Paper
C55 H106 O6C 1 2/c 122.6508; 5.6532; 89.462
90; 90.012; 90
11455.6van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104072 CIF
Paper
C20 H26 N O2 PP b c a10.5381; 15.7519; 22.626
90; 90; 90
3755.8van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104073 CIF
Paper
C20 H26 N O2 PP -16.7231; 11.9766; 23.6865
97.644; 93.038; 98.742
1863.1van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104074 CIF
Paper
C22 H27 F N O3 PP 1 21/c 16.411; 16.206; 21.242
90; 99.51; 90
2176.6van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104075 CIF
Paper
C22 H27 F N O3 PP 1 21/c 119.252; 6.584; 17.295
90; 101.73; 90
2146.4van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104076 CIF
Paper
C22 H28 N O3 PP 1 21/c 112.109; 14.047; 13.206
90; 111.48; 90
2090.3van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104077 CIF
Paper
C25 H28 N O2 PP 1 21/c 110.284; 21.262; 12.768
90; 119.04; 90
2440.8van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104078 CIF
Paper
C22 H22 N O3 PP 1 21 110.0104; 8.1056; 12.5372
90; 109.717; 90
957.63van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104079 CIF
Paper
C21 H20 N O2 PP 21 21 215.6212; 25.714; 13.561
90; 90; 90
1960.2van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104080 CIF
Paper
C15 H16 N O2 PP 21 21 215.3914; 11.7559; 21.6032
90; 90; 90
1369.23van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.
Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes
Acta Crystallographica Section B, 2008, 64, 196-205
2104081 CIF
HKL
Paper
C15 H23 N S2P 1 21/c 113.11563; 21.32201; 11.75591
90; 113.99; 90
3003.57Avila, Edward E.; Mora, Asiloé J.; Delgado, Gerzon E.; Contreras, Ricardo R.; Fitch, Andrew N.; Brunelli, Michela
Molecular and crystalline structure of cycloheptanespiro-3'(4'<i>H</i>)-6',7',8',9'-tetrahydrocyclohexa[<i>b</i>][1,4]thiazole-2'(5'<i>H</i>)-thione from powder synchrotron X-ray diffraction data
Acta Crystallographica Section B, 2008, 64, 217-222
2104082 CIF
HKL
Paper
Ba3 Ca O9 Sb2C 1 2/c 15.99898; 10.37797; 14.8658
90; 91.384; 90
925.23Rowda, Budwy; Avdeev, Maxim; Lee, Peter L.; Henry, Paul F.; Ling, Chris D.
Structures of 6<i>H</i> perovskites Ba~3~CaSb~2~O~9~ and Ba~3~SrSb~2~O~9~ determined by synchrotron X-ray diffraction, neutron powder diffraction and <i>ab initio</i> calculations
Acta Crystallographica Section B, 2008, 64, 154-159
2104083 CIF
Paper
Ba3 O9 Sb2 SrP -16.08467; 6.08608; 15.1934
89.175; 88.485; 119.743
488.1Rowda, Budwy; Avdeev, Maxim; Lee, Peter L.; Henry, Paul F.; Ling, Chris D.
Structures of 6<i>H</i> perovskites Ba~3~CaSb~2~O~9~ and Ba~3~SrSb~2~O~9~ determined by synchrotron X-ray diffraction, neutron powder diffraction and <i>ab initio</i> calculations
Acta Crystallographica Section B, 2008, 64, 154-159
2104084 CIF
Paper
C28 H28 Cl2 Pt S2P -18.3661; 12.2534; 15.8692
69.052; 89.258; 71.378
1430.29Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104085 CIF
HKL
Paper
C28 H28 Cl2 Pt S2P -18.3411; 12.2228; 15.8547
69.022; 89.222; 71.433
1421.5Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104086 CIF
HKL
Paper
C28 H28 Cl2 Pt S2P -18.293; 12.173; 15.7892
68.837; 89.261; 71.456
1399.9Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104087 CIF
Paper
C28 H28 Cl2 Pt S2P -18.2603; 12.1587; 15.7688
68.644; 89.262; 71.368
1388.04Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104088 CIF
HKL
Paper
C28 H28 Cl2 Pt S2P -18.2487; 12.1346; 15.7583
68.528; 89.499; 71.565
1382.26Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104089 CIF
Paper
C28 H28 Cl2 Pt S2C 1 2/c 128.6839; 15.5752; 12.7019
90; 102.584; 90
5538.3Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104090 CIF
HKL
Paper
C28 H28 Cl2 Pt S2C 1 2/c 128.5503; 15.5016; 12.6508
90; 102.56; 90
5464.9Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104091 CIF
HKL
Paper
C28 H28 Cl2 Pt S2C 1 2/c 128.4657; 15.4653; 12.6114
90; 102.499; 90
5420.3Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104092 CIF
Paper
C28 H28 Cl2 Pt S2C 1 2/c 128.3708; 15.4372; 12.5812
90; 102.432; 90
5380.9Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104093 CIF
Paper
C28 H28 Cl2 Pt S2C 1 2/c 128.3057; 15.3972; 12.5488
90; 102.259; 90
5344.4Hansson, Christian; Lindqvist, Maria; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structures of two polymorphs of <i>cis</i>-dichlorobis(dibenzyl sulfido-κ<i>S</i>)platinum(II) in the temperature range 100‒295K
Acta Crystallographica Section B, 2008, 64, 187-195
2104094 CIF
Paper
Ca2 Co2.496 O6.117X2/m4.8395; 4.5531; 10.8583
90; 98.124; 90
236.859Muguerra, Hervé; Grebille, Dominique; Bourée, Françoise
Disordered misfit [Ca~2~CoO~3~][CoO~2~]~1.62~ structure revisited <i>via</i> a new intrinsic modulation
Acta Crystallographica Section B, 2008, 64, 144-153
2104095 CIF
Paper
K Mo2 O8 SmI2/b(\a\b0)005.5279; 5.2994; 11.7841
90; 90; 91.1388
345.142Arakcheeva, Alla; Pattison, Philip; Chapuis, Gervais; Rossell, Marta; Filaretov, Andrey; Morozov, Vladimir; Van Tendeloo, Gustaaf
KSm(MoO~4~)~2~, an incommensurately modulated and partially disordered scheelite-like structure
Acta Crystallographica Section B, 2008, 64, 160-171
2104096 CIF
HKL
Paper
C15 H14 O5P 1 21/n 13.8466; 25.1521; 12.9802
90; 92.545; 90
1254.6Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
Conformations of substituted benzophenones
Acta Crystallographica Section B, 2008, 64, 206-216
2104097 CIF
HKL
Paper
C21 H28 N2 OP 1 21/c 116.8519; 8.0488; 14.306
90; 104.639; 90
1877.44Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
Conformations of substituted benzophenones
Acta Crystallographica Section B, 2008, 64, 206-216
2104098 CIF
HKL
Paper
C13 H10 O3C 1 2/c 124.4619; 7.3737; 12.3961
90; 115.019; 90
2026.14Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
Conformations of substituted benzophenones
Acta Crystallographica Section B, 2008, 64, 206-216
2104099 CIF
HKL
Paper
C13 H10 O2P 1 21/n 14.0462; 20.2165; 11.8058
90; 90.929; 90
965.59Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
Conformations of substituted benzophenones
Acta Crystallographica Section B, 2008, 64, 206-216
2104100 CIF
HKL
Paper
C13 H9 Cl O2P c a 2123.3058; 5.577; 8.2847
90; 90; 90
1076.82Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
Conformations of substituted benzophenones
Acta Crystallographica Section B, 2008, 64, 206-216
2104101 CIF
HKL
Paper
C13 H9 Cl2 N OP 1 21/c 17.8897; 9.5581; 16.1101
90; 96.416; 90
1207.26Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
Conformations of substituted benzophenones
Acta Crystallographica Section B, 2008, 64, 206-216
2104102 CIF
HKL
Paper
C32 H24P 1 21/c 110.266; 12.773; 8.4459
90; 112.86; 90
1020.5Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104103 CIF
HKL
Paper
C32 H24P 1 21/c 110.274; 12.774; 8.446
90; 112.99; 90
1020.4Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104104 CIF
HKL
Paper
C32 H24P 1 21/c 110.285; 12.791; 8.4484
90; 113.05; 90
1022.7Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104105 CIF
HKL
Paper
C32 H24P 1 21/c 110.2848; 12.8104; 8.4443
90; 113.05; 90
1023.7Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104106 CIF
HKL
Paper
C32 H24P 1 21/c 110.2834; 12.8132; 8.4441
90; 112.961; 90
1024.5Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104107 CIF
HKL
Paper
C32 H24P 1 21/c 110.2742; 12.8086; 8.45
90; 112.999; 90
1023.6Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104108 CIF
HKL
Paper
C32 H24P 1 21/c 110.264; 12.8929; 8.4043
90; 112.34; 90
1028.7Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104109 CIF
HKL
Paper
C32 H24P 1 21/c 110.263; 12.903; 8.397
90; 112.26; 90
1029.1Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104110 CIF
HKL
Paper
C32 H24P 1 21/c 110.1383; 12.9555; 8.411
90; 111.894; 90
1025.1Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104111 CIF
HKL
Paper
C32 H24P 1 21/c 19.961; 12.976; 8.504
90; 111.86; 90
1020.1Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104112 CIF
HKL
Paper
C32 H24P 1 21/c 19.8457; 12.9974; 8.5319
90; 111.891; 90
1013.1Trzop, Elżbieta; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal
Acta Crystallographica Section B, 2008, 64, 375-382
2104113 CIF
HKL
Paper
C66 H92 N2 O8P 112.8559; 13.5462; 17.4215
75.39; 83.254; 82.771
2900.9Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław
Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments
Acta Crystallographica Section B, 2008, 64, 383-392
2104114 CIF
Paper
C66 H92 N2 O8P 16.8044; 12.887; 17.0661
94.431; 97.935; 97.341
1463.14Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław
Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments
Acta Crystallographica Section B, 2008, 64, 383-392
2104115 CIF
HKL
Paper
C58 H86 O8C 1 2 131.731; 7.727; 11.017
90; 106.28; 90
2592.9Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław
Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments
Acta Crystallographica Section B, 2008, 64, 383-392
2104116 CIF
Paper
C56.5 H92 N2 O8.5P 17.7755; 9.8697; 17.754
103.04; 101.086; 90.463
1300.7Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław
Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments
Acta Crystallographica Section B, 2008, 64, 383-392
2104117 CIF
Paper
C25 H16 Br Cu N5 OP -18.9141; 10.448; 12.291
78.688; 81.562; 72.798
1067.4Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak
Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands
Acta Crystallographica Section B, 2008, 64, 318-329
2104118 CIF
Paper
C48 H36 B Cu N7 OP -110.2373; 11.3628; 19.1037
86.697; 75.884; 67.744
1993.07Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak
Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands
Acta Crystallographica Section B, 2008, 64, 318-329
2104119 CIF
Paper
C20 H20 Cu N10 O4P -17.7515; 9.916; 15.275
100.01; 103.347; 99.527
1098.78Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak
Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands
Acta Crystallographica Section B, 2008, 64, 318-329
2104120 CIF
Paper
C20 H18 Cl Cu N9 O4P 1 21/c 113.436; 8.388; 22.575
90; 118.147; 90
2243.35Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak
Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands
Acta Crystallographica Section B, 2008, 64, 318-329
2104121 CIF
Paper
Cr La O3P b n m5.5133; 5.4759; 7.7585
90; 90; 90
234.23Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104122 CIF
Paper
Cr2 O3R -3 c4.958; 4.958; 13.59
90; 90; 120
289.3Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104123 CIF
Paper
Cr0.7 La Ni0.3 O3P b n m5.5094; 5.474; 7.7536
90; 90; 90
233.84Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104124 CIF
Paper
Cr0.4 La Ni0.6 O3P b n m5.518; 5.4735; 7.7529
90; 90; 90
234.16Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104125 CIF
Paper
Cr0.3 La Ni0.7 O3P b n m5.5032; 5.4612; 7.7407
90; 90; 90
232.64Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104126 CIF
Paper
Cr0.3 La Ni0.7 O3R -3 c5.4831; 5.4831; 13.2091
90; 90; 120
343.919Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104127 CIF
Paper
Cr0.2 La Ni0.8 O3R -3 c5.4809; 5.4809; 13.207
90; 90; 120
343.59Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104128 CIF
Paper
Cr0.1 La Ni0.9 O3R -3 c5.4747; 5.4747; 13.199
90; 90; 120
342.6Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104129 CIF
Paper
La Ni O3R -3 c5.4561; 5.4561; 13.1432
90; 90; 120
338.841Yang, J.
Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data
Acta Crystallographica Section B, 2008, 64, 281-286
2104130 CIF
HKL
Paper
F3 H12 Mo N3 O3F m -3 m9.1295; 9.1295; 9.1295
90; 90; 90
760.92Udovenko, A. A.; Laptash, N. M.
Orientational disorder in crystals of (NH~4~)~3~MoO~3~F~3~ and (NH~4~)~3~WO~3~F~3~
Acta Crystallographica Section B, 2008, 64, 305-311
2104131 CIF
HKL
Paper
F3 H12 N3 O3 WF m -3 m9.1563; 9.1563; 9.1563
90; 90; 90
767.64Udovenko, A. A.; Laptash, N. M.
Orientational disorder in crystals of (NH~4~)~3~MoO~3~F~3~ and (NH~4~)~3~WO~3~F~3~
Acta Crystallographica Section B, 2008, 64, 305-311
2104132 CIF
HKL
Paper
C2 H4 OP 1 21/n 14.633; 8.4; 6.577
90; 100.37; 90
251.8Grabowsky, Simon; Weber, Manuela; Buschmann, Jürgen; Luger, Peter
Experimental electron density study of ethylene oxide at 100K
Acta Crystallographica Section B, 2008, 64, 397-400
2104133 CIF
Paper
Er2 Ge3.188X2/m(\a0\g)0s3.9208; 6.7547; 4.0945
90; 89.811; 90
108.437Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104134 CIF
Paper
Er2 Ge3.188X2/m(\a0\g)0s3.9206; 6.7543; 4.09383
90; 89.813; 90
108.408Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104135 CIF
Paper
Er2 Ge3.186X2/m(\a0\g)0s3.9203; 6.7532; 4.09406
90; 89.813; 90
108.388Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104136 CIF
Paper
Er2 Ge3.182X2/m(\a0\g)0s3.9198; 6.7518; 4.0941
90; 89.813; 90
108.353Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104137 CIF
Paper
Er2 Ge3.171X2/m(\a0\g)0s3.9183; 6.7475; 4.0932
90; 89.813; 90
108.218Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104138 CIF
Paper
Er2 Ge3.14X2/m(\a0\g)0s3.9142; 6.7363; 4.0917
90; 89.81; 90
107.886Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104139 CIF
Paper
Er2 Ge3.125X2/m(\a0\g)0s3.9117; 6.7296; 4.09129
90; 89.805; 90
107.699Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104140 CIF
Paper
Er2 Ge3.122X2/m(\a0\g)0s3.9113; 6.729; 4.0912
90; 89.805; 90
107.676Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104141 CIF
Paper
Er2 Ge3X2/m(\a0\g)0s3.8901; 6.6544; 4.098
90; 89.74; 90
106.08Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard
Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5)
Acta Crystallographica Section B, 2008, 64, 272-280
2104142 CIF
Paper
O9.84 S4 Sm4 Ti4I 4/m m m3.82123; 3.82123; 22.96371
90; 90; 90
335.311Yashima, Masatomo; Ogisu, Kiyonori; Domen, Kazunari
Structure and electron density of oxysulfide Sm~2~Ti~2~S~2~O~4.9~, a visible-light-responsive photocatalyst
Acta Crystallographica Section B, 2008, 64, 291-298
2104143 CIF
Paper
C10 H14 N2 O5P 21 21 214.8462; 13.901; 16.316
90; 90; 90
1099.2Hübschle, Christian B.; Dittrich, Birger; Grabowsky, Simon; Messerschmidt, Marc; Luger, Peter
Comparative experimental electron density and electron localization function study of thymidine based on 20K X-ray diffraction data
Acta Crystallographica Section B, 2008, 64, 363-374
2104144 CIF
Paper
Ca1.17 Co0.83 Ge O4P n m a11.3021; 6.4657; 5.0435
90; 90; 90
368.56Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104145 CIF
HKL
Paper
Ca2 Ge O4P n m a11.3919; 6.78; 5.2424
90; 90; 90
404.91Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104146 CIF
HKL
Paper
Ca2 Ge O4P n m a11.3919; 6.78; 5.2424
90; 90; 90
404.91Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104147 CIF
HKL
Paper
Ca1.14 Ge Mn0.86 O4P n m a11.326; 6.5604; 5.1069
90; 90; 90
379.46Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271

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