Information card for entry 4312684

Structure parameters

• Formula: C53 H57 Cl2 F3 Mn N4 O6 S
• Calculated formula: C53 H57 Cl2 F3 Mn N4 O6 S
• Title of publication: A New Class of Oxo-Bridged High-Valent Hexamanganese Clusters Supported by Sterically Hindered Carboxylate Ligands
• Authors of publication: Sumitra Mukhopadhyay; Bhavesh A. Gandhi; Martin L. Kirk; William H. Armstrong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8171 - 8180
• a: 10.6786 ± 0.0009 Å
• b: 19.588 ± 0.0015 Å
• c: 25.776 ± 0.002 Å
• α: 90°
• β: 94.156 ± 0.002°
• γ: 90°
• Cell volume: 5377.5 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• 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: 0.1163
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No