Information card for entry 4339561

Structure parameters

• Formula: C15 H33 Cl2 Mn N5 O3
• Calculated formula: C15 H33 Cl2 Mn N5 O3
• SMILES: [Mn]1234([n]5c6cccc5[C@H]([NH]1CC[NH]2CC[NH]3CC[NH]4[C@@H]6C)C)([OH2])[OH2].[Cl-].[Cl-].O.[Mn]1234([n]5c6cccc5[C@@H]([NH]1CC[NH]2CC[NH]3CC[NH]4[C@H]6C)C)([OH2])[OH2].[Cl-].[Cl-].O
• Title of publication: Seven-coordinate iron and manganese complexes with acyclic and rigid pentadentate chelates and their superoxide dismutase activity.
• Authors of publication: Liu, Gao-Feng; Filipović, Milos; Heinemann, Frank W.; Ivanović-Burmazović, Ivana
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8825 - 8835
• a: 10.245 ± 0.001 Å
• b: 19.031 ± 0.001 Å
• c: 22.756 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4436.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No