Information card for entry 4311220

Structure parameters

• Formula: C56 H64 Cl3 Mn2 N12 O14.5
• Calculated formula: C56 H59 Cl3 Mn2 N12 O14.5
• 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: 12.707 ± 0.003 Å
• b: 12.824 ± 0.003 Å
• c: 19.052 ± 0.004 Å
• α: 102.71 ± 0.03°
• β: 97.83 ± 0.03°
• γ: 98.15 ± 0.03°
• Cell volume: 2952.5 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No