Information card for entry 7045317

Structure parameters

• Formula: C55 H73 Cl2 Co N4 O P3 Si2
• Calculated formula: C55 H73 Cl2 Co N4 O P3 Si2
• SMILES: [Co]1(Cl)([P](c2ccccc2)(c2ccccc2)CN2[Si]1(N(c1c2cccc1)CP(c1ccccc1)c1ccccc1)C)([P](C)(C)C)[Si]1(Cl)[N](C(C)(C)C)=C(N1C(C)(C)C)c1ccccc1.CCOCC
• Title of publication: Synthesis and catalytic activity of N-heterocyclic silylene (NHSi) cobalt hydride for Kumada coupling reactions.
• Authors of publication: Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2581 - 2588
• a: 13.9845 ± 0.0014 Å
• b: 17.415 ± 0.002 Å
• c: 24.858 ± 0.003 Å
• α: 98.767 ± 0.009°
• β: 101.053 ± 0.008°
• γ: 103.86 ± 0.008°
• Cell volume: 5642.3 ± 1.2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No