Information card for entry 4067227

Structure parameters

• Formula: C29 H56 Ba N2 O5 Si2
• Calculated formula: C29 H56 Ba N2 O5 Si2
• SMILES: [Ba]12345(N([SiH](C)C)[SiH](C)C)[O]6CC[O]3CC[O]4CC[O]1CC[N]5(Cc1c(O2)c(cc(C(C)(C)C)c1)C(C)(C)C)CC6
• Title of publication: Bis(dimethylsilyl)amide Complexes of the Alkaline-Earth Metals Stabilized by β-Si−H Agostic Interactions: Synthesis, Characterization, and Catalytic Activity
• Authors of publication: Sarazin, Yann; Roşca, Dragoş; Poirier, Valentin; Roisnel, Thierry; Silvestru, Anca; Maron, Laurent; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6569
• a: 13.1638 ± 0.0004 Å
• b: 15.5426 ± 0.0004 Å
• c: 17.7016 ± 0.0005 Å
• α: 90°
• β: 97.109 ± 0.001°
• γ: 90°
• Cell volume: 3593.9 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No