Information card for entry 7121560

Structure parameters

• Formula: C45 H30 F6 N5 Ni P S
• Calculated formula: C45 H30 F6 N5 Ni P S
• Title of publication: Oxidative C-N fusion of pyridinyl-substituted porphyrins.
• Authors of publication: Berthelot, Mathieu; Hoffmann, Guillaume; Bousfiha, Asmae; Echaubard, Julie; Roger, Julien; Cattey, Hélène; Romieu, Anthony; Lucas, Dominique; Fleurat-Lessard, Paul; Devillers, Charles H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 43
• Pages of publication: 5414 - 5417
• a: 19.386 ± 0.003 Å
• b: 20.956 ± 0.003 Å
• c: 9.2559 ± 0.0016 Å
• α: 90°
• β: 96.226 ± 0.005°
• γ: 90°
• Cell volume: 3738.1 ± 1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1451
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No