Information card for entry 7003195

Structure parameters

• Common name: (5-(4-nitrophenyl)-15-(carbomethoxyphenyl)-10,20- bis(phenyl)porphyrinato) copper(ii)
• Chemical name: [5-(4-nitrophenyl)-15-(carbomethoxyphenyl)-10,20-bis(phenyl)porphyrinato] copper(II)
• Formula: C47 H29 Cu N5 O4.25
• Calculated formula: C47 H29 Cu N5 O4.25
• Title of publication: Structural and photophysical studies of trans-AB2C-substituted porphyrin ligands and their zinc and copper complexes
• Authors of publication: Heinze, Katja; Reinhart, Anja
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 469 - 480
• a: 10.0786 ± 0.0008 Å
• b: 12.1933 ± 0.001 Å
• c: 16.6574 ± 0.0013 Å
• α: 68.827 ± 0.001°
• β: 75.011 ± 0.001°
• γ: 82.7 ± 0.002°
• Cell volume: 1842.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No