Information card for entry 4107419

Structure parameters

• Common name: (TPP)GaOH2
• Formula: C44 H32 Cl Ga N4 O6
• Calculated formula: C44 H32 Cl Ga N4 O6.02
• Title of publication: Hydrogen Peroxide: A Poor Ligand to Gallium Tetraphenylporphyrin
• Authors of publication: Antonio G. DiPasquale; James M. Mayer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1812 - 1813
• a: 10.2941 ± 0.0003 Å
• b: 8.0385 ± 0.0003 Å
• c: 21.5792 ± 0.0007 Å
• α: 90°
• β: 98.2436 ± 0.0019°
• γ: 90°
• Cell volume: 1767.21 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.114
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No