Information card for entry 4323050

Structure parameters

• Common name: Azidocobalamine
• Formula: C62 H106.6 Cl2 Co Li2 N16 O23.3 P
• Calculated formula: C62 H98.662 Cl2 Co Li2 N16 O23.3 P
• Title of publication: Preparation and X-ray Analysis of Crystals of Azido- and Chlorocobalamin Containing LiCl: A Structural Model for the Interactions of the Corrin Ring with Ionic Species
• Authors of publication: Lucio Randaccio; Michela Furlan; Silvano Geremia; Miroslav Slouf
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5390 - 5393
• a: 15.434 ± 0.001 Å
• b: 22.679 ± 0.001 Å
• c: 23.45 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8208.1 ± 0.7 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: 0.0519
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No