Information card for entry 4087431

Structure parameters

• Formula: C43 H42 Co N5 O3 Si
• Calculated formula: C43 H42 Co N5 O3 Si
• SMILES: [Co]1234([n]5c(O[Si]3(Oc3[n]1cccc3)(Cc1c(N3C=4N(C=C3)c3c(cc(cc3C)C)C)c(cc(c1)C)C)Cc1ccccc1)cccc5)[n]1c(O2)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: 10.1445 ± 0.0012 Å
• b: 11.8118 ± 0.0014 Å
• c: 33.76 ± 0.004 Å
• α: 90°
• β: 95.961 ± 0.002°
• γ: 90°
• Cell volume: 4023.4 ± 0.8 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: 0.0965
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No