Information card for entry 4302677

Structure parameters

• Formula: C66 H101 Co N13 O35 P
• Calculated formula: C66 H99 Co N13 O27.796 P
• Title of publication: High Resolution Crystal Structure of the Methylcobalamin Analogues Ethylcobalamin and Butylcobalamin by X-ray Synchrotron Diffraction
• Authors of publication: Luciana Hannibal; Clyde A. Smith; Jessica A. Smith; Armend Axhemi; Abby Miller; Sihe Wang; Nicola E. Brasch; Donald W. Jacobsen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6615 - 6622
• a: 16.03 ± 0.001 Å
• b: 20.73 ± 0.001 Å
• c: 24.62 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8181.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.78468 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No