Information card for entry 7211570

Structure parameters

• Formula: C84 H140 Mn Mo6 N5 O24
• Calculated formula: C80.2 H102.8 Mn Mo6 N5 O24
• Title of publication: Hybrid polyoxometalate clusters with appended aromatic platforms
• Authors of publication: Song, Yu-Fei; Long, De-Liang; Cronin, Leroy
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 109
• a: 14.897 ± 0.0004 Å
• b: 13.9137 ± 0.0004 Å
• c: 24.7439 ± 0.0007 Å
• α: 90°
• β: 97.349 ± 0.001°
• γ: 90°
• Cell volume: 5086.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0908
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2066
• 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: No