Information card for entry 7212672

Structure parameters

• Common name: cyanocobalamin hydrate
• Chemical name: 5,6-Dimethylbenzimidazolyl cyanocobamide hydrate
• Formula: C63 H135 Co N14 O37.5 P
• Calculated formula: C63 H88 Co N14 O23 P
• Title of publication: Pressure-induced structural changes in wet vitamin B12
• Authors of publication: Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 2541
• a: 15.826 ± 0.0009 Å
• b: 22.4438 ± 0.0013 Å
• c: 25.4429 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9037.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0932
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No