Information card for entry 4314764

Structure parameters

• Formula: C38 H27 Cl4 Mn2 N4 O16
• Calculated formula: C38 H27 Cl4 Mn2 N4 O16
• Title of publication: Two Temperature-Independent Spinomers of the Dinuclear Mn(III) Compound [{Mn(H~2~O)(phen)}~2~(μ-2-ClC~6~H~4~COO)~2~(μ-O)](ClO~4~)~2~
• Authors of publication: Verónica Gómez; Montserrat Corbella; Gabriel Aullón
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1471 - 1480
• a: 10.5737 ± 0.0003 Å
• b: 22.7311 ± 0.0007 Å
• c: 17.0612 ± 0.0005 Å
• α: 90°
• β: 95.979 ± 0.001°
• γ: 90°
• Cell volume: 4078.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No