Information card for entry 7056468

Structure parameters

• Formula: C24 H18 Mn N5 O2
• Calculated formula: C24 H18 Mn N5 O2
• Title of publication: Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes
• Authors of publication: Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 9710 - 9717
• a: 10.088 ± 0.003 Å
• b: 11.208 ± 0.003 Å
• c: 34.421 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3891.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No