Information card for entry 7717723

Structure parameters

• Chemical name: 5,15-(2,3,5,6-tetrafluorophenyl)-10-diethylphenylphosphonate corrole
• Formula: C42 H29 Cl2 F8 N4 O3 P
• Calculated formula: C42 H29 Cl2 F8 N4 O3 P
• Title of publication: Phenylphosphonic acid corroles: corroles that link and bind.
• Authors of publication: Divoux, Gaëlle; Loze, Margerie; Rousselin, Yoann; Brandès, Stéphane; Gros, Claude P.; Desbois, Nicolas; André, Laurie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 1784 - 1790
• a: 10.965 ± 0.0004 Å
• b: 13.7874 ± 0.0005 Å
• c: 15.5996 ± 0.0005 Å
• α: 64.2197 ± 0.0015°
• β: 73.4957 ± 0.0016°
• γ: 67.1373 ± 0.0016°
• Cell volume: 1937.85 ± 0.12 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No