Information card for entry 7127304

Structure parameters

• Formula: C39 H52 Cl0.33 Co N2.33 P3
• Calculated formula: C39 H52 Cl0.334 Co N2.332 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: 9.4001 ± 0.0014 Å
• b: 10.1799 ± 0.0014 Å
• c: 19.692 ± 0.003 Å
• α: 96.945 ± 0.008°
• β: 98.651 ± 0.007°
• γ: 92.505 ± 0.007°
• Cell volume: 1845.6 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No