Information card for entry 8104878

Structure parameters

• Formula: C20 H26 Mn O12
• Calculated formula: C20 H26 Mn O12
• Title of publication: The crystal structure of trans-tetraaqua-bis(4-acetylphenoxyacetato-κ1 O)manganese(II), C20H26O12Mn
• Authors of publication: Jie, Yin; Feng-Jun, Zhang; Xi-Shi, Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 45 - 46
• a: 4.8272 ± 0.0007 Å
• b: 15.828 ± 0.002 Å
• c: 14.3688 ± 0.0019 Å
• α: 90°
• β: 95.312 ± 0.013°
• γ: 90°
• Cell volume: 1093.1 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No