Information card for entry 4310170

Structure parameters

• Formula: C22 H20 Br Mn N2 O8
• Calculated formula: C22 H20 Br Mn N2 O8
• Title of publication: Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations
• Authors of publication: Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9253 - 9266
• a: 10.7855 ± 0.0001 Å
• b: 9.6873 ± 0.0001 Å
• c: 11.8322 ± 0.0002 Å
• α: 90°
• β: 109.417 ± 0.0006°
• γ: 90°
• Cell volume: 1165.94 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No