Information card for entry 2103831

Structure parameters

• Formula: C66 H116 Co N14 O26 P Se
• Calculated formula: C66 H110 Co N14 O26 P Se
• 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: 15.66 ± 0.015 Å
• b: 22.7 ± 0.03 Å
• c: 24.96 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8873 ± 18 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: 0.0967
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2467
• Weighted residual factors for all reflections included in the refinement: 0.2563
• 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