Information card for entry 4306700

Structure parameters

• Formula: C21 H27 Cl2 Mn N5 O9
• Calculated formula: C21 H27 Cl2 Mn N5 O9
• SMILES: [Mn]1234([N](CC[N]3(Cc3[n]4cccc3)C)(Cc3[n]2cccc3)Cc2[n]1cccc2)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Characterizations of Chloro and Aqua Mn(II) Mononuclear Complexes with Amino-Pyridine Ligands. Comparison of Their Electrochemical Properties With Those of Fe(II) Counterparts
• Authors of publication: Sihem Groni; Christelle Hureau; Régis Guillot; Geneviève Blondin; Guillaume Blain; Elodie Anxolabéhère-Mallart
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11783 - 11797
• a: 16.558 ± 0.005 Å
• b: 12.802 ± 0.005 Å
• c: 12.896 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2733.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No