Information card for entry 4303983

Structure parameters

• Formula: C50.5 H40 Cl4.5 Hf N4 O5 S
• Calculated formula: C50.5 H40 Cl4.5 Hf N4 O5 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: 14.624 ± 0.003 Å
• b: 21.489 ± 0.004 Å
• c: 15.044 ± 0.003 Å
• α: 90°
• β: 91.37 ± 0.03°
• γ: 90°
• Cell volume: 4726.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No