Information card for entry 7127309

Structure parameters

• Formula: C71 H63 B Co F24 N2 P3
• Calculated formula: C71 H63 B Co F24.003 N2 P3
• Title of publication: Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.
• Authors of publication: Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 81
• Pages of publication: 12142 - 12145
• a: 12.5472 ± 0.0015 Å
• b: 41.432 ± 0.004 Å
• c: 13.4271 ± 0.0014 Å
• α: 90°
• β: 92.586 ± 0.004°
• γ: 90°
• Cell volume: 6973 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No