Information card for entry 4087429

Structure parameters

• Formula: C37 H36 Co N4 O2 Si
• Calculated formula: C37 H36 Co N4 O2 Si
• SMILES: [Co]123([n]4ccccc4O1)[n]1c(O[Si]2(Cc2c(N4C=3N(C=C4)c3c(cc(cc3C)C)C)c(cc(c2)C)C)c2ccccc2)cccc1
• Title of publication: Silane-Functionalized N-Heterocyclic Carbene‒Cobalt Complexes Containing a Five-Coordinate Silicon with a Covalent Co‒Si Bond
• Authors of publication: Sun, Jian; Ou, Chong; Wang, Chao; Uchiyama, Masanobu; Deng, Liang
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1546
• a: 11.2531 ± 0.0014 Å
• b: 16.578 ± 0.002 Å
• c: 17.768 ± 0.002 Å
• α: 90°
• β: 103.121 ± 0.003°
• γ: 90°
• Cell volume: 3228.2 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No