Information card for entry 4085555

Structure parameters

• Formula: C51 H74 Co N4
• Calculated formula: C51 H74 Co N4
• SMILES: C1(=[Co](Nc2c(C(C)C)cccc2C(C)C)Nc2c(cccc2C(C)C)C(C)C)N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(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: 21.5764 ± 0.001 Å
• b: 9.3773 ± 0.0004 Å
• c: 24.8166 ± 0.0015 Å
• α: 90°
• β: 112.572 ± 0.001°
• γ: 90°
• Cell volume: 4636.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No