Information card for entry 4313887

Structure parameters

• Formula: C53 H41 N5 O3 Zn
• Calculated formula: C53 H41 N5 O3 Zn
• SMILES: [Zn]123([OH]C)[n]4c5C(=c6n(N3C(=O)c3ccccc3)c(=C(c3[n]2c(=C(c2n1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.OC
• 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: 14.79 ± 0.001 Å
• b: 17.1595 ± 0.0012 Å
• c: 17.4248 ± 0.0011 Å
• α: 90°
• β: 98.369 ± 0.001°
• γ: 90°
• Cell volume: 4375.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0924
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No