Information card for entry 7127308

Structure parameters

• Formula: C25 H39 Cl Co P3
• Calculated formula: C25 H39 Cl Co P3
• SMILES: [Co]12(Cl)[P](C)(c3ccccc3[P]2(C(C)C)C(C)C)c2ccccc2[P]1(C(C)C)C(C)C
• 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: 10.5437 ± 0.0004 Å
• b: 16.2502 ± 0.0006 Å
• c: 15.7679 ± 0.0006 Å
• α: 90°
• β: 98.878 ± 0.001°
• γ: 90°
• Cell volume: 2669.26 ± 0.17 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No