Information card for entry 2103828

Structure parameters

• Formula: C62 H104 Cl2 Co Li2 N14 O24 P
• Calculated formula: C62 H100 Cl2 Co Li2 N14 O24 P
• 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: 15.387 ± 0.005 Å
• b: 22.673 ± 0.008 Å
• c: 24.381 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8506 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1211
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2873
• Weighted residual factors for all reflections included in the refinement: 0.306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No