Information card for entry 4517374

Structure parameters

• Common name: 18200_GaCoH
• Formula: C82 H132 Co2 Ga2 N8 O P6
• Calculated formula: C82 H132 Co2 Ga2 N8 O P6
• Title of publication: Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle
• Authors of publication: Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 2459 - 2470
• a: 12.4071 ± 0.0013 Å
• b: 19.343 ± 0.002 Å
• c: 19.588 ± 0.002 Å
• α: 110.472 ± 0.004°
• β: 97.544 ± 0.004°
• γ: 101.928 ± 0.003°
• Cell volume: 4201.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No