Information card for entry 4339100

Structure parameters

• Common name: EtOH/NO3
• Formula: C14 H24 Mn N3 O6
• Calculated formula: C14 H24 Mn N3 O6
• SMILES: [Mn]123(OC(=CC(=[N]2CC[N]3=C(C=C(O1)C)C)C)C)(ON(=O)=O)[OH]CC
• Title of publication: Manganese(III) Schiff base complexes: chemistry relevant to the copolymerization of epoxides and carbon dioxide.
• Authors of publication: Darensbourg, Donald J.; Frantz, Eric B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5967 - 5978
• a: 8.1727 ± 0.0005 Å
• b: 17.1898 ± 0.0011 Å
• c: 12.3854 ± 0.0008 Å
• α: 90°
• β: 94.768 ± 0.001°
• γ: 90°
• Cell volume: 1733.97 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No