Information card for entry 4310602

Structure parameters

• Formula: C75.75 H124 Co N18 O26.5 P
• Calculated formula: C75.75 H100.5 Co N18 O26.5 P
• Title of publication: Accurate Redetermination of the X-ray Structure and Electronic Bonding in Adenosylcobalamin
• Authors of publication: Lizhi Ouyang; Paul Rulis; W. Y. Ching; Giorgio Nardin; Lucio Randaccio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1235 - 1241
• a: 15.194 ± 0.015 Å
• b: 21.32 ± 0.02 Å
• c: 27.55 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8924 ± 16 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: 0.0667
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.73733 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No