Information card for entry 4309926

Structure parameters

• Common name: [Mn(PaPy3)(OC6H5)]ClO4
• Formula: C26 H25 Cl Mn N5 O6
• Calculated formula: C26 H25 Cl Mn N5 O6
• SMILES: [Mn]1234(Oc5ccccc5)[n]5ccccc5C(=O)N1CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Reductive Nitrosylation and Proton-Assisted Bridge Splitting of a (μ-Oxo)dimanganese(III) Complex Derived from a Polypyridine Ligand with One Carboxamide Group
• Authors of publication: Kaushik Ghosh; Aura A. Eroy-Reveles; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8469 - 8475
• a: 8.5126 ± 0.0006 Å
• b: 11.253 ± 0.0007 Å
• c: 26.6159 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2549.6 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No