Information card for entry 4313235

Structure parameters

• Formula: C46 H42 Cl12 Mn5 N8 O8
• Calculated formula: C46 H42 Cl12 Mn5 N8 O8
• Title of publication: Symmetric and Asymmetric Dinuclear Manganese(IV) Complexes Possessing a [MnIV2(μ-O)2(μ-O2CMe)]3+ Core and Terminal Cl-Ligands
• Authors of publication: Sumit Bhaduri; Anastasios J. Tasiopoulos; Milissa A. Bolcar; Khalil A. Abboud; William E. Streib; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1483 - 1492
• a: 21.756 ± 0.002 Å
• b: 12.0587 ± 0.0007 Å
• c: 26.192 ± 0.002 Å
• α: 90°
• β: 111.443 ± 0.002°
• γ: 90°
• Cell volume: 6395.8 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No