Information card for entry 7046300

Structure parameters

• Formula: C45 H56 Br Co N3 P Si
• Calculated formula: C45 H56 Br Co N3 P Si
• Title of publication: Reactivity of a dearomatised pincer Co^IIBr complex with PNC^NHC donors: alkylation and Si-H bond activation via metal-ligand cooperation.
• Authors of publication: Simler, Thomas; Choua, Sylvie; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 24
• Pages of publication: 7888 - 7895
• a: 13.8439 ± 0.0006 Å
• b: 17.8666 ± 0.0008 Å
• c: 16.9012 ± 0.0007 Å
• α: 90°
• β: 93.154 ± 0.001°
• γ: 90°
• Cell volume: 4174.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0725
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No