Information card for entry 4348846

Structure parameters

• Formula: C40 H64 I2 N2 Si2
• Calculated formula: C40 H64 I2 N2 Si2
• SMILES: [Si]([Si](=C1C(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)(C)C)I)(=C1C(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)(C)C)I
• Title of publication: Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.
• Authors of publication: Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 9091 - 9098
• a: 15.9335 ± 0.0004 Å
• b: 14.2589 ± 0.0003 Å
• c: 18.5741 ± 0.0005 Å
• α: 90°
• β: 93.9117 ± 0.0011°
• γ: 90°
• Cell volume: 4210.1 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No