Information card for entry 4000475

Structure parameters

• Formula: C46 H52 Cl12 Mn2 N12 Nb6 O4
• Calculated formula: C46 H52 Cl12 Mn2 N12 Nb6 O4
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 23.1512 ± 0.0013 Å
• b: 13.0142 ± 0.0007 Å
• c: 23.2007 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6990.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No