Information card for entry 4322240

Structure parameters

• Formula: C62 H119.3 Co N14 O30.65 P S
• Calculated formula: C62 H104 Co N14 O30.65 P S
• Title of publication: Crystal Chemistry of Cobalamins. Structural Characterization of the Co-S Bond in Cobalamins
• Authors of publication: Lucio Randaccio; Silvano Geremia; Giorgio Nardin; Miroslav Šlouf; Ivana Srnova
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4087 - 4092
• a: 16.005 ± 0.005 Å
• b: 20.859 ± 0.008 Å
• c: 24.328 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8122 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections: 0.1535
• Weighted residual factors for significantly intense reflections: 0.1498
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No