Information card for entry 4075943

Structure parameters

• Chemical name: 1,2-dimethyl-1,1,2,2-tetrakis[(2,6-dimethylbenzoyl)oxy]disilane
• Formula: C44 H48 O8 Si2
• Calculated formula: C44 H48 O8 Si2
• SMILES: C[Si]12([O]=C(c3c(C)cccc3C)O[Si]2(C)([O]=C(c2c(cccc2C)C)O1)OC(=O)c1c(cccc1C)C)OC(=O)c1c(cccc1C)C.c1ccccc1
• Title of publication: Disilanes Containing Two High-Coordinate Silicon Atoms Bridged by Carboxylate Ligands: Synthesis, Structure, and Dynamic Behavior
• Authors of publication: Kano, Naokazu; Nakagawa, Norikiyo; Shinozaki, Yasuhiro; Kawashima, Takayuki; Sato, Yuki; Naruse, Yuji; Inagaki, Satoshi
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2823
• a: 13.236 ± 0.005 Å
• b: 10.745 ± 0.005 Å
• c: 14.515 ± 0.005 Å
• α: 90°
• β: 104.961 ± 0.005°
• γ: 90°
• Cell volume: 1994.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No