Information card for entry 2241451

Structure parameters

• Chemical name: (4-Cyanopyridine-κ<i>N</i>)]{5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^<i>N</i>}zinc‒4-cyanopyridine (1/1)
• Formula: C84 H52 N8 O8 Zn
• Calculated formula: C84 H52 N8 O8 Zn
• Title of publication: Crystal structure of (4-cyanopyridine-κ<i>N</i>){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^<i>N</i>}zinc‒4-cyanopyridine (1/1)
• Authors of publication: Nasri, Soumaya; Amiri, Nesrine; Turowska-Tyrk, Ilona; Daran, Jean-Claude; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 164 - 169
• a: 11.8587 ± 0.0003 Å
• b: 16.1619 ± 0.0005 Å
• c: 19.2167 ± 0.0005 Å
• α: 68.207 ± 0.003°
• β: 81.077 ± 0.002°
• γ: 86.866 ± 0.002°
• Cell volume: 3378.43 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0793
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes