Information card for entry 4085551

Structure parameters

• Formula: C31 H74 Co N4 P2 Si4
• Calculated formula: C31 H74 Co N4 P2 Si4
• SMILES: C1(N(C=CN1P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C)=[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: 35.498 ± 0.0014 Å
• b: 12.4644 ± 0.0005 Å
• c: 40.3971 ± 0.0016 Å
• α: 90°
• β: 100.441 ± 0.001°
• γ: 90°
• Cell volume: 17578.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No