Information card for entry 7116838

Structure parameters

• Formula: C45 H37 N8 O0.75 Sc
• Calculated formula: C45 H37 N8 O0.75 Sc
• Title of publication: Metallophthalocyanin-ocenes: scandium phthalocyanines with an eta^5^-bound Cp ring
• Authors of publication: Rachel H. Platel; Thiago Teixeira Tasso; Wen Zhou; Taniyuki Furuyama; Nagao Kobayashi; Daniel B. Leznoff
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5986
• a: 16.1402 ± 0.0003 Å
• b: 21.4116 ± 0.0003 Å
• c: 21.6902 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7495.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No