Information card for entry 7127312

Structure parameters

• Formula: C39 H52 Cl Co N P3
• Calculated formula: C39 H52 Cl Co N P3
• SMILES: N(C[P]12[Co](Cl)([P](c3c1cccc3)(C(C)C)C(C)C)[P](c1c2cccc1)(C(C)C)C(C)C)(Cc1ccccc1)Cc1ccccc1
• 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: 9.751 ± 0.003 Å
• b: 12.142 ± 0.006 Å
• c: 17.953 ± 0.007 Å
• α: 72.006 ± 0.012°
• β: 76.941 ± 0.009°
• γ: 71.219 ± 0.019°
• Cell volume: 1895 ± 1.3 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: 0.027
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No