Information card for entry 4315295

Structure parameters

• Formula: C52 H66 K2 N8 Nb O11
• Calculated formula: C52 H66 K2 N8 Nb O11
• 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: 14.832 ± 0.002 Å
• b: 20.841 ± 0.003 Å
• c: 18.778 ± 0.003 Å
• α: 90°
• β: 106.131 ± 0.002°
• γ: 90°
• Cell volume: 5576 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No