Information card for entry 7119536

Structure parameters

• Formula: C154.9 H130.62 B2 F40 N7 O Re
• Calculated formula: C154.898 H130.624 B2 F40 N7 O Re
• Title of publication: meso-N-Methylation of a porphyrinoid complex: activating the H-atom transfer capability of an inert Re(V)(O) corrolazine.
• Authors of publication: Joslin, Evan E.; Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1961 - 1964
• a: 17.92851 ± 0.00019 Å
• b: 18.50308 ± 0.00019 Å
• c: 24.9906 ± 0.0002 Å
• α: 93.4898 ± 0.0008°
• β: 107.038 ± 0.0009°
• γ: 108.177 ± 0.0009°
• Cell volume: 7424.19 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0394
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No