Information card for entry 2232165

Structure parameters

• Chemical name: Tris{2-[(furan-2-methyl)iminomethyl]-4-methylphenolato}cobalt(III)
• Formula: C39 H36 Co N3 O6
• Calculated formula: C39 H36 Co N3 O6
• SMILES: c12c(ccc(c1)C)O[Co]13([N](=C2)Cc2ccco2)([N](=Cc2c(ccc(c2)C)O1)Cc1ccco1)[N](=Cc1c(ccc(c1)C)O3)Cc1ccco1
• Title of publication: Tris{2-[(furan-2-methyl)iminomethyl]-4-methylphenolato}cobalt(III)
• Authors of publication: Li, Chunyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1640
• a: 9.715 ± 0.0008 Å
• b: 11.3607 ± 0.0009 Å
• c: 16.8591 ± 0.0014 Å
• α: 102.605 ± 0.001°
• β: 102.984 ± 0.001°
• γ: 104.752 ± 0.001°
• Cell volume: 1676.8 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes