Information card for entry 4339099

Structure parameters

• Formula: C17 H23 Mn N6 O2
• Calculated formula: C17 H23 Mn N6 O2
• SMILES: [Mn]123(OC(=CC(=[N]2CC[N]3=C(C=C(O1)C)C)C)C)(N=N#N)[n]1ccccc1
• 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: 6.5564 ± 0.0005 Å
• b: 14.1006 ± 0.0011 Å
• c: 10.0027 ± 0.0008 Å
• α: 90°
• β: 93.029 ± 0.004°
• γ: 90°
• Cell volume: 923.45 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No