Information card for entry 4306699

Structure parameters

• Formula: C28 H31 Cl2 Mn N7 O4
• Calculated formula: C28 H31 Cl2 Mn N7 O4
• SMILES: [Mn]12345(Cl)[n]6c(C[N]3(CC[N]4(Cc3[n]1cccc3)Cc1[n]5cccc1)Cc1[n]2cccc1)cccc6.Cl(=O)(=O)(=O)[O-].C(#N)C
• 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: 14.4793 ± 0.0011 Å
• b: 10.1617 ± 0.0008 Å
• c: 20.4651 ± 0.0015 Å
• α: 90°
• β: 92.042 ± 0.001°
• γ: 90°
• Cell volume: 3009.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No