Information card for entry 7718779

Structure parameters

• Formula: C46 H25 F6 N5 Ni O2
• Calculated formula: C46 H25 F6 N5 Ni 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: 8.6529 ± 0.0002 Å
• b: 14.0895 ± 0.0003 Å
• c: 15.5838 ± 0.0004 Å
• α: 67.621 ± 0.001°
• β: 89.588 ± 0.001°
• γ: 84.515 ± 0.001°
• Cell volume: 1747.89 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No