Information card for entry 7718778

Structure parameters

• Formula: C47 H26 Cl3 Co F6 N5 O2
• Calculated formula: C47 H26 Cl3 Co F6 N5 O2
• Title of publication: Electron deficient <i>β</i>-trisubstituted porphyrins: synthesis, structural, spectral, and electrochemical studies and their intensity-dependent third-order nonlinear optical properties.
• Authors of publication: Jangra, Reena; Nair, Amritha J.; Kuriakose, Albin; Acharyya, Jitendra Nath; Vijaya Prakash, G.; Sankar, Muniappan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10234 - 10245
• a: 12.188 ± 0.0004 Å
• b: 25.708 ± 0.0008 Å
• c: 12.8575 ± 0.0004 Å
• α: 90°
• β: 103.424 ± 0.001°
• γ: 90°
• Cell volume: 3918.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0761
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No