Information card for entry 7718081

Structure parameters

• Common name: Dicyano-meso-tetraphenylporphyrinatocopper(II) complex
• Chemical name: 2,3-Dicyano-5,10,15,20-tetraphenylporphyrinatocopper(II)
• Formula: C93 H53 Cl3 Cu2 N12
• Calculated formula: C93 H53 Cl3 Cu2 N12
• Title of publication: Synthesis, spectral and electrochemical studies of electron-deficient nitrile porphyrins and their utilization in selective cyanide sensing.
• Authors of publication: Bhardwaj, Varusha; Sankar, Muniappan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 5406 - 5418
• a: 13.8547 ± 0.0007 Å
• b: 10.7681 ± 0.0006 Å
• c: 24.9017 ± 0.0014 Å
• α: 90°
• β: 96.239 ± 0.002°
• γ: 90°
• Cell volume: 3693.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No