Information card for entry 2013997

Structure parameters

• Common name: isoamylcobalamin acetone solvate hydrate
• Formula: C68.15 H126.61 Co N13 O27.03 P
• Calculated formula: C68.155 H122.11 Co N13 O27.035 P
• Title of publication: Isoamylcobalamin‒acetone‒water (1/0.385/12.650)
• Authors of publication: Christopher B. Perry; Manuel A. Fernandes; Helder M. Marques
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m165 - m167
• a: 15.959 ± 0.003 Å
• b: 20.793 ± 0.004 Å
• c: 24.403 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8098 ± 3 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: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes