Information card for entry 4517372

Structure parameters

• Common name: 16259_[InCo(N2)]PPN
• Formula: C79 H98 Co In N7 O P5
• Calculated formula: C79 H98 Co In N7 O P5
• SMILES: [In]12345[Co]67([P](CN3c3c([N]2(c2ccccc2N4C[P]7(C(C)C)C(C)C)c2ccccc2N5C[P]16(C(C)C)C(C)C)cccc3)(C(C)C)C(C)C)[N]#N.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• 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: 12.2163 ± 0.0015 Å
• b: 18.704 ± 0.003 Å
• c: 20.45 ± 0.004 Å
• α: 112.181 ± 0.007°
• β: 100.878 ± 0.009°
• γ: 95.913 ± 0.008°
• Cell volume: 4170.4 ± 1.2 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: 0.0572
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No