Information card for entry 2103830

Structure parameters

• Formula: C68.1 H116.2 Co N14 O24.7 P S
• Calculated formula: C68.1 H108 Co N14 O24.7 P S
• Title of publication: Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins
• Authors of publication: Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 51 - 59
• a: 15.683 ± 0.015 Å
• b: 22.61 ± 0.02 Å
• c: 25.1 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8900 ± 16 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: 0.0762
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No