Information card for entry 4339097

Structure parameters

• Formula: C31 H48 Mn2 N12 O4
• Calculated formula: C31 H46 Mn2 N12 O4
• SMILES: [Mn]123(OC(=CC(=[N]2CC[N]3=C(C=C(O1)C)C)C)C)(N=N#N)[n]1ccc(N(C)C)cc1.[Mn]123(OC(=CC(=[N]2CC[N]3=C(C=C(O1)C)C)C)C)N=N#N
• 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: 8.7824 ± 0.0009 Å
• b: 13.9008 ± 0.0014 Å
• c: 28.352 ± 0.003 Å
• α: 90°
• β: 90.793 ± 0.002°
• γ: 90°
• Cell volume: 3460.9 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No