Information card for entry 4074098

Structure parameters

• Formula: C24 H38 N2 Ni2 Si2
• Calculated formula: C24 H38 N2 Ni2 Si2
• SMILES: [Ni]12345(C#[N]C(C)(C)C)[c]6([cH]4[cH]3[cH]2[cH]16)[Si](C)(C)[Ni]1234(C#[N]C(C)(C)C)[c]6([cH]4[cH]3[cH]2[cH]16)[Si]5(C)C
• Title of publication: Synthesis, Molecular Structure, and Reactivity of the First Strained [2]Silanickelocenophane
• Authors of publication: Braunschweig, Holger; Gross, Manuela; Radacki, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6688
• a: 6.5827 ± 0.0002 Å
• b: 8.745 ± 0.0003 Å
• c: 11.4819 ± 0.0003 Å
• α: 100.362 ± 0.001°
• β: 90.349 ± 0.001°
• γ: 93.194 ± 0.001°
• Cell volume: 649.09 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No