Information card for entry 4084473

Structure parameters

• Formula: C40 H48 N4 O2 Si
• Calculated formula: C40 H48 N4 O2 Si
• SMILES: [Si]123(OC(=C(O1)c1ccccc1)c1ccccc1)([N](=C(N2C(C)C)c1ccccc1)C(C)C)[N](=C(N3C(C)C)c1ccccc1)C(C)C
• Title of publication: Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones
• Authors of publication: Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6141
• a: 13.256 ± 0.002 Å
• b: 9.9817 ± 0.0019 Å
• c: 13.766 ± 0.002 Å
• α: 90°
• β: 95.724 ± 0.012°
• γ: 90°
• Cell volume: 1812.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No