Information card for entry 4311218

Structure parameters

• Formula: C26 H30 Cl2 Mn N6 O9
• Calculated formula: C26 H28 Cl2 Mn N6 O9
• SMILES: c1cc[n]2[Mn]3456([n]7ccccc7C[N]3(CC[N]4(Cc3cccc[n]53)Cc3[n]6cccc3)Cc2c1)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Controlled Redox Conversion of New X-ray-Characterized Mono- and Dinuclear Heptacoordinated Mn(II) Complexes into Di-μ-oxo-dimanganese Core Complexes
• Authors of publication: Christelle Hureau; Sébastien Blanchard; Martine Nierlich; Guillaume Blain; Eric Rivière; Jean-Jacques Girerd; Elodie Anxolabéhère-Mallart; Geneviève Blondin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4415 - 4426
• a: 15.049 ± 0.003 Å
• b: 9.932 ± 0.002 Å
• c: 19.246 ± 0.004 Å
• α: 90°
• β: 94.21 ± 0.03°
• γ: 90°
• Cell volume: 2868.9 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No