Information card for entry 7115153

Structure parameters

• Common name: [N{C(SiMe3)2(SiMe2py)}(PPh3)]
• Formula: C32 H43 N Ni P Si3
• Calculated formula: C32 H43 N Ni P Si3
• SMILES: [Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c([Si](C1([Si](C)(C)C)[Si](C)(C)C)(C)C)cccc2
• Title of publication: The first structurally characterised σ-bonded organonickel(i) compound. Crystal structures of [Ni{C(SiMe3)2(SiMe2C5H4N-2)}(PPh3)], [Ni{C(SiMe3)(SiMe2C5H4N-2)(SiMe2O)}]2 and [Pd(μ-Cl){C(SiMe3)2(SiMe2C5H4N-2)}]2
• Authors of publication: Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Smith, J. David
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 691
• a: 16.476 ± 0.002 Å
• b: 9.142 ± 0.003 Å
• c: 21.687 ± 0.005 Å
• α: 90°
• β: 91.22 ± 0.02°
• γ: 90°
• Cell volume: 3265.8 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No