Information card for entry 4084468

Structure parameters

• Formula: C42 H52 N4 Si
• Calculated formula: C42 H52 N4 Si
• SMILES: [Si]1(N(/C(=N/C(C)C)c2ccccc2)C(C)C)(N(C(=N\C(C)C)\c2ccccc2)C(C)C)[C@H](c2ccccc2)C=C[C@@H]1c1ccccc1
• 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: 9.509 ± 0.004 Å
• b: 18.006 ± 0.008 Å
• c: 42.43 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7265 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No