Information card for entry 7243791

Structure parameters

• Chemical name: Rhenium-oxo 3,17-diformyl-5,10,15-tris(p-methylphenyl)corrole
• Formula: C45 H36 N4 O3 Re
• Calculated formula: C45 H36 N4 O3 Re
• Title of publication: Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials
• Authors of publication: Einrem, Rune F.; Jonsson, Einar Torfi; Teat, Simon J.; Settineri, Nicholas S.; Alemayehu, Abraham B.; Ghosh, Abhik
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 54
• Pages of publication: 34086 - 34094
• a: 9.5807 ± 0.0004 Å
• b: 12.6649 ± 0.0006 Å
• c: 29.1467 ± 0.0013 Å
• α: 95.279 ± 0.002°
• β: 91.627 ± 0.002°
• γ: 90.341 ± 0.002°
• Cell volume: 3520.1 ± 0.3 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: 0.0361
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No