Information card for entry 4066030

Structure parameters

• Formula: C33 H46 S3 Si
• Calculated formula: C33 H46 S3 Si
• SMILES: [SiH](c1c(cccc1)CSC(C)(C)C)(c1c(cccc1)CSC(C)(C)C)c1c(cccc1)CSC(C)(C)C
• Title of publication: Synthesis and Complexation of a New Tripodal Tetradentate Ligand, a Silyl Ligand Tethered with Three Thioether Moieties
• Authors of publication: Takeda, Nobuhiro; Watanabe, Daisuke; Nakamura, Tetsu; Unno, Masafumi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2839
• a: 11.6359 ± 0.0002 Å
• b: 15.8805 ± 0.0005 Å
• c: 19.5216 ± 0.0005 Å
• α: 77.746 ± 0.003°
• β: 74.587 ± 0.003°
• γ: 83.57 ± 0.004°
• Cell volume: 3392.39 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No