Information card for entry 7013950

Structure parameters

• Formula: C16 H28 S2 Si2 Ti
• Calculated formula: C16 H28 S2 Si2 Ti
• SMILES: [Ti]12345678(S[Si](C)(C)C)(S[Si](C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.
• Authors of publication: Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1618 - 1625
• a: 16.1375 ± 0.0008 Å
• b: 13.8649 ± 0.0005 Å
• c: 18.7887 ± 0.0004 Å
• α: 90°
• β: 105.195 ± 0.0006°
• γ: 90°
• Cell volume: 4056.9 ± 0.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No