Information card for entry 4306548

Structure parameters

• Formula: C66 H135 Mn Mo6 N6 O27
• Calculated formula: C58.3 H78.4 Mn Mo6 N5.6 O25.8
• Title of publication: Sorting the Assemblies of Unsymmetrically Covalently Functionalized Mn-Anderson Polyoxometalate Clusters with Mass Spectrometry
• Authors of publication: Yu-Fei Song; De-Liang Long; Stephanie E. Kelly; Leroy Cronin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9137 - 9139
• a: 24.8017 ± 0.0019 Å
• b: 13.6385 ± 0.0012 Å
• c: 26.88 ± 0.002 Å
• α: 90°
• β: 93.939 ± 0.004°
• γ: 90°
• Cell volume: 9070.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1997
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.2666
• Weighted residual factors for all reflections included in the refinement: 0.3538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No