Information card for entry 4323049

Structure parameters

• Common name: Chlorocobalamine
• Formula: C62 H103 Cl3 Co Li2 N13 O21.5 P
• Calculated formula: C62 H94.866 Cl3 Co Li2 N13 O21.5 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: 15.468 ± 0.005 Å
• b: 22.588 ± 0.008 Å
• c: 23.561 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8232 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No