Information card for entry 4333198

Structure parameters

• Formula: C58 H44 Al N4 O3 P
• Calculated formula: C58 H44 Al N4 O3 P
• SMILES: [Al]123(OP(=O)(c4ccccc4)c4ccccc4)([OH]CC)[n]4c5=C(c6n3c(cc6)C(=c3[n]2c(cc3)C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structural Characterization, and Properties of Aluminum (III)meso-Tetraphenylporphyrin Complexes Axially Bonded to Phosphinate Anions
• Authors of publication: Richeter, Sébastien; Thion, Julien; van der Lee, Arie; Leclercq, Dominique
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10049 - 10051
• a: 12.882 ± 0.0004 Å
• b: 26.0619 ± 0.0007 Å
• c: 15.059 ± 0.0004 Å
• α: 90°
• β: 111.15 ± 0.02°
• γ: 90°
• Cell volume: 4715.2 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.3294
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections: 0.1761
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No