Information card for entry 4313886

Structure parameters

• Formula: C51 H35 N5 O
• Calculated formula: C51 H35 N5 O
• SMILES: O=C(Nn1c2=C(c3nc(=C(c4[nH]c(C(=c5nc(C(=c1cc2)c1ccccc1)cc5)c1ccccc1)cc4)c1ccccc1)cc3)c1ccccc1)c1ccccc1
• Title of publication: Metal Complexes of N-Benzamidoporphyrin: (N-Benzimido-meso-tetraphenylporphyrinato)(methanol)zinc(II) Methanol Solvate and (Acetato)(N-benzamido-meso-tetraphenylporphyrinato)cadmium(II) Benzene Solvate
• Authors of publication: Fuh-An Yang; Jyh-Horung Chen; Hsi-Ying Hsieh; Shanmugam Elango; Lian-Pin Hwang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4603 - 4609
• a: 10.8813 ± 0.0018 Å
• b: 13.003 ± 0.002 Å
• c: 14.094 ± 0.002 Å
• α: 95.976 ± 0.004°
• β: 95.902 ± 0.004°
• γ: 90.611 ± 0.003°
• Cell volume: 1972.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No