Information card for entry 2212911

Structure parameters

• Chemical name: (5,10,15,20-tetraphenylporphyrinato)copper(II)
• Formula: C44 H28 Cu N4
• Calculated formula: C44 H28 Cu N4
• SMILES: c12=C(c3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Cu]([n]56)(n78)n34)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: A second polymorph of (5,10,15,20-tetraphenylporphyrinato)copper(II)
• Authors of publication: He, Hong-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m976 - m977
• a: 13.3747 ± 0.0019 Å
• b: 13.3747 ± 0.0019 Å
• c: 9.7348 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1741.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes