Information card for entry 7044323

Structure parameters

• Formula: C30 H29 Cl2 Mn N7 O10
• Calculated formula: C30 H29 Cl2 Mn N7 O10
• Title of publication: Design of synthetic superoxide dismutase mimetics: Seven-coordinate water soluble Manganese(II) and Iron(II) complexes and their superoxide dismutase like activity studies
• Authors of publication: Ghosh, Kaushik; Singh, Ovender; Tyagi, Nidhi; Olmstead, Marilyn M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.3017 ± 0.0005 Å
• b: 14.0136 ± 0.0007 Å
• c: 14.6344 ± 0.0008 Å
• α: 111.689 ± 0.0007°
• β: 103.584 ± 0.0007°
• γ: 100.611 ± 0.0007°
• Cell volume: 1643.62 ± 0.15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No