Information card for entry 4087430

Structure parameters

• Formula: C42 H40 Co N5 O3 Si
• Calculated formula: C42 H40 Co N5 O3 Si
• SMILES: [Co]1234([Si](Oc5[n]1cccc5)(Oc1[n]2cccc1)(Cc1c(N2C=4N(C=C2)c2c(cc(cc2C)C)C)c(cc(c1)C)C)c1ccccc1)[n]1c(O3)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: 13.17 ± 0.002 Å
• b: 17.763 ± 0.003 Å
• c: 16.1 ± 0.003 Å
• α: 90°
• β: 107.866 ± 0.003°
• γ: 90°
• Cell volume: 3584.8 ± 1.1 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: 0.1687
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No