Information card for entry 2208334

Structure parameters

• Chemical name: (4-Acetylpyridine)(tetraphenylporphyrinato)zinc(II)
• Formula: C51 H35 N5 O Zn
• Calculated formula: C51 H35 N5 O Zn
• SMILES: [Zn]123(N4C5=C(C6C=CC(=C(C7=CC=C(C(=C8C=CC(C(=C4C=C5)c4ccccc4)=[N]18)c1ccccc1)N27)c1ccccc1)[N]3=6)c1ccccc1)[n]1ccc(cc1)C(=O)C
• Title of publication: (4-Acetylpyridine)(tetraphenylporphyrinato)zinc(II)
• Authors of publication: Sophia Lipstman; Sumod George; Israel Goldberg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m417 - m419
• a: 16.2055 ± 0.0002 Å
• b: 11.0902 ± 0.0002 Å
• c: 21.4881 ± 0.0004 Å
• α: 90°
• β: 99.6311 ± 0.0006°
• γ: 90°
• Cell volume: 3807.46 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.1
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes