Information card for entry 4303982

Structure parameters

• Formula: C47 H39 Cl3 Hf N4 O7 S
• Calculated formula: C47 H39 Cl3 Hf N4 O7 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: 11.951 ± 0.002 Å
• b: 14.653 ± 0.003 Å
• c: 14.865 ± 0.003 Å
• α: 66.15 ± 0.03°
• β: 86.36 ± 0.03°
• γ: 67.92 ± 0.03°
• Cell volume: 2194.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No