Information card for entry 1570984

Structure parameters

• Formula: C67 H83 Co K O8 P3 S2
• Calculated formula: C67 H83 Co K O8 P3 S2
• Title of publication: Electrocatalytic CO₂ reduction to formate by a cobalt phosphino-thiolate complex.
• Authors of publication: Intrator, Jeremy A.; Velazquez, David A.; Fan, Sicheng; Mastrobattista, Ellie; Yu, Christine; Marinescu, Smaranda C.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 6385 - 6396
• a: 10.1125 ± 0.0001 Å
• b: 18.592 ± 0.0002 Å
• c: 36.962 ± 0.0005 Å
• α: 90°
• β: 89.735 ± 0.001°
• γ: 90°
• Cell volume: 6949.21 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No