Information card for entry 7026728

Structure parameters

• Formula: C62 H101 Co N14 O26.4 P
• Calculated formula: C62 H86 Co N14 O26.396 P
• Title of publication: Redetermination of the X-ray structure of nitroxylcobalamin: base-on nitroxylcobalamin exhibits a remarkably long Co-N(dimethylbenzimidazole) bond distance.
• Authors of publication: Hassanin, Hanaa A.; El-Shahat, Mohamed F; DeBeer, Serena; Smith, Clyde A.; Brasch, Nicola E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10626 - 10630
• a: 15.96 ± 0.001 Å
• b: 20.93 ± 0.001 Å
• c: 24.13 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8060.5 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.79987 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No