Information card for entry 4084472

Structure parameters

• Formula: C40 H58 N4 O2 Si
• Calculated formula: C40 H58 N4 O2 Si
• SMILES: [Si]123(Oc4c(O1)cc(cc4C(C)(C)C)C(C)(C)C)([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: 18.552 ± 0.005 Å
• b: 11.089 ± 0.009 Å
• c: 18.878 ± 0.013 Å
• α: 90°
• β: 95.23 ± 0.04°
• γ: 90°
• Cell volume: 3867 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No