Information card for entry 8102675

Structure parameters

• Chemical name: Aquaacetato[N,N'-bis(3-ethoxysalicylidene)cyclohexane-1,2-diiminato] manganese(III) - acetonitrile (1:2)
• Formula: C30 H39 Mn N4 O7
• Calculated formula: C30 H39 Mn N4 O7
• Title of publication: Crystal structure of aquaacetato[N,N'-bis(3-ethoxysalicylidene)cyclohexane-1,2-diiminato]manganese(III) — acetonitrile (1:2), Mn(H2O)(CH3CO2)(C24H28N2O4) · 2CH3CN
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 285
• a: 14.8397 ± 0.0008 Å
• b: 13.5844 ± 0.0007 Å
• c: 15.2747 ± 0.0008 Å
• α: 90°
• β: 92.226 ± 0.001°
• γ: 90°
• Cell volume: 3076.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.137
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No