Information card for entry 4331895

Structure parameters

• Formula: C46 H32 Al N8 O2
• Calculated formula: C46 H30 Al N8 O2
• Title of publication: Aluminum Tetraphenylporphyrin and Aluminum Phthalocyanine Neutral Radicals
• Authors of publication: Cissell, Julie A.; Vaid, Thomas P.; Rheingold, Arnold L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2367 - 2369
• a: 16.0554 ± 0.0019 Å
• b: 19.335 ± 0.002 Å
• c: 11.6391 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3613.1 ± 0.7 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No