Information card for entry 4085557

Structure parameters

• Formula: C43 H74 Co N4 P2
• Calculated formula: C43 H74 Co N4 P2
• SMILES: C1(N(C=CN1P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C)=[Co](Nc1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene
• Authors of publication: Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2429
• a: 11.736 ± 0.0009 Å
• b: 17.2933 ± 0.0012 Å
• c: 22.7226 ± 0.0014 Å
• α: 90°
• β: 95.962 ± 0.002°
• γ: 90°
• Cell volume: 4586.7 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.1996
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No