Information card for entry 2207819

Structure parameters

• Chemical name: (dimethylformamide)(tetraphenylporphyrinato)zinc(II)
• Formula: C47 H35 N5 O Zn
• Calculated formula: C47 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)[O]=CN(C)C
• Title of publication: Unsolvated (dimethylformamide)(tetraphenylporphyrinato)zinc(II)
• Authors of publication: Sophia Lipstman; Israel Goldberg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m158 - m160
• a: 13.7419 ± 0.0003 Å
• b: 9.2278 ± 0.0002 Å
• c: 29.3016 ± 0.0007 Å
• α: 90°
• β: 101.719 ± 0.0013°
• γ: 90°
• Cell volume: 3638.22 ± 0.14 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: 0.0963
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No