Information card for entry 4327067

Structure parameters

• Formula: C35 H47 Cl3 N2 Si
• Calculated formula: C35 H47 Cl3 N2 Si
• SMILES: Cl[Si]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)Cl
• Title of publication: Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis
• Authors of publication: Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12315 - 12325
• a: 10.0389 ± 0.0005 Å
• b: 20.1943 ± 0.0011 Å
• c: 17.6677 ± 0.0011 Å
• α: 90°
• β: 99.898 ± 0.003°
• γ: 90°
• Cell volume: 3528.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0533
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No