Information card for entry 8104782

Structure parameters

• Formula: C16 H12 Cl5 Mn N2 O3
• Calculated formula: C16 H12 Cl5 Mn N2 O3
• Title of publication: The crystal structure of aqua-chlorido-6,6′-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-dichlorophenolato-κ4 N,N′,O,O′)manganese(III), C16H12Cl5MnN2O3
• Authors of publication: Liu, Dian; Yu, Guojun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 615 - 617
• a: 12.3098 ± 0.0005 Å
• b: 13.1697 ± 0.0005 Å
• c: 12.4555 ± 0.0006 Å
• α: 90°
• β: 117.159 ± 0.001°
• γ: 90°
• Cell volume: 1796.61 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0919
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No