Information card for entry 4519399

Structure parameters

• Formula: C52 H42 F4 N4
• Calculated formula: C52 H42 F4 N4
• Title of publication: Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo-<i>meso</i>-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives.
• Authors of publication: Chou, Pallas; Kim, Lauren; Marzouk, Sammer M.; Sun, Rui; Hartnett, Alaina C.; Dogutan, Dilek K.; Zheng, Shao-Liang; Nocera, Daniel G.
• Journal of publication: ACS omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 8988 - 8994
• a: 9.2143 ± 0.0002 Å
• b: 12.7406 ± 0.0003 Å
• c: 12.62 ± 0.0003 Å
• α: 85.167 ± 0.001°
• β: 73.242 ± 0.001°
• γ: 71.786 ± 0.001°
• Cell volume: 1347.51 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No