Information card for entry 4322202

Structure parameters

• Common name: 98063
• Formula: C70.5 H69 Hf N5
• Calculated formula: C70.5 H69 Hf N5
• Title of publication: Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins
• Authors of publication: Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3814 - 3824
• a: 16.6081 ± 0.0002 Å
• b: 18.636 ± 0.0003 Å
• c: 19.391 ± 0.0001 Å
• α: 90°
• β: 104.029 ± 0.001°
• γ: 90°
• Cell volume: 5822.67 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.0573
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No