Information card for entry 4303984

Structure parameters

• Formula: C53 H33 Hf N6.5 O6 S
• Calculated formula: C53 H33 Hf N6.5 O6 S
• Title of publication: Routes to New Hafnium(IV) Tetraaryl Porphyrins and Crystal Structures of Unusual Phosphate-, Sulfate-, and Peroxide-Bridged Dimers
• Authors of publication: Alexander Falber; Louis Todaro; Israel Goldberg; Michael V. Favilla; Charles Michael Drain
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 454 - 467
• a: 13.244 ± 0.003 Å
• b: 13.505 ± 0.003 Å
• c: 13.567 ± 0.003 Å
• α: 74.91 ± 0.03°
• β: 67.62 ± 0.03°
• γ: 79.54 ± 0.03°
• Cell volume: 2157.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No