Information card for entry 4085553

Structure parameters

• Formula: C35 H71 Co N3 Si4
• Calculated formula: C35 H71 Co N3 Si4
• SMILES: C1(C2(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)CCCCC2)=[Co](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](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: 10.4729 ± 0.0004 Å
• b: 20.6538 ± 0.0007 Å
• c: 20.3921 ± 0.0006 Å
• α: 90°
• β: 107.064 ± 0.002°
• γ: 90°
• Cell volume: 4216.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No