Information card for entry 7126752

Structure parameters

• Formula: C43 H50 N6 Ni Si2
• Calculated formula: C43 H50 N6 Ni Si2
• SMILES: [Ni]12([Si](n3[n]2c(cc3C)C)([n]2n([Si]1(c1ccccc1)c1ccccc1)c(cc2C)C)(c1ccccc1)c1ccccc1)=C1N(C(=C(N1C)CC)CC)C
• Title of publication: Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.
• Authors of publication: Usui, Ryosuke; Sunada, Yusuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 60
• Pages of publication: 8464 - 8467
• a: 11.583 ± 0.003 Å
• b: 14.712 ± 0.004 Å
• c: 23.855 ± 0.007 Å
• α: 90°
• β: 98.977 ± 0.004°
• γ: 90°
• Cell volume: 4015.3 ± 1.9 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• 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: 0.1274
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No