Information card for entry 7116836

Structure parameters

• Formula: C43 H38 Cl2 Li N8 O2 Sc
• Calculated formula: C43 H38 Cl2 Li N8 O2 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: 12.0145 ± 0.0007 Å
• b: 13.1895 ± 0.0007 Å
• c: 14.9239 ± 0.0009 Å
• α: 64.581 ± 0.004°
• β: 70.692 ± 0.004°
• γ: 88.526 ± 0.004°
• Cell volume: 1997 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.212
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No