Information card for entry 7115154

Structure parameters

• Common name: [{Ni{C(SiMe3)(SiMe2O)(SiMe2C5H4N)}}2]
• Formula: C26 H50 N2 Ni2 O2 Si6
• Calculated formula: C26 H50 N2 Ni2 O2 Si6
• SMILES: [Ni]1234[C@]([Si](C)(C)c5[n]1cccc5)([Si]([O]2[Ni]124[n]4c(cccc4)[Si]([C@]2([Si]([O]31)(C)C)[Si](C)(C)C)(C)C)(C)C)[Si](C)(C)C
• 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: 8.86 ± 0.0008 Å
• b: 10.122 ± 0.001 Å
• c: 10.6164 ± 0.0011 Å
• α: 91.437 ± 0.006°
• β: 111.283 ± 0.007°
• γ: 92.595 ± 0.005°
• Cell volume: 885.36 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No