Information card for entry 4315294

Structure parameters

• Formula: C60 H74 K2 N8 Nb O15
• Calculated formula: C60 H74 K2 N8 Nb O15
• Title of publication: Phthalocyanine as a Chemically Inert, Redox-Active Ligand: Structural and Electronic Properties of a Nb(IV)-Oxo Complex Incorporating a Highly Reduced Phthalocyanine(4-) Anion
• Authors of publication: Edwin W. Y. Wong; Charles J. Walsby; Tim Storr; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3343 - 3350
• a: 11.1153 ± 0.0018 Å
• b: 11.6215 ± 0.0019 Å
• c: 13.624 ± 0.002 Å
• α: 89.856 ± 0.002°
• β: 75.837 ± 0.002°
• γ: 69.397 ± 0.002°
• Cell volume: 1590.5 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No