Information card for entry 7036021

Structure parameters

• Formula: C33 H45 N3 Se Si
• Calculated formula: C33 H45 N3 Se Si
• SMILES: [Se]=[Si]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)N(C)C
• Title of publication: Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.
• Authors of publication: Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14959 - 14974
• a: 20.372 ± 0.004 Å
• b: 9.872 ± 0.002 Å
• c: 17.527 ± 0.004 Å
• α: 90°
• β: 113.44 ± 0.03°
• γ: 90°
• Cell volume: 3234 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No