Information card for entry 2013786

Structure parameters

• Formula: C78.44 H138 Co N13 O28.04 P2
• Calculated formula: C78.437 H134.874 Co N13 O28.042 P2
• Title of publication: Diisopropylphosphitocobalamin‒acetone‒water (1/3.48/7.56)
• Authors of publication: Susan M. Chemaly; Helder M. Marques; Christopher B. Perry
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m88 - m90
• a: 15.889 ± 0.005 Å
• b: 22.07 ± 0.007 Å
• c: 25.941 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9097 ± 5 ų
• Cell temperature: 123 ± 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 significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes