Information card for entry 7013951

Structure parameters

• Formula: C22 H40 S2 Si2 Ti
• Calculated formula: C22 H40 S2 Si2 Ti
• SMILES: [Ti]12345678(S[Si](C)(C)C(C)(C)C)(S[Si](C)(C)C(C)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[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: 15.473 ± 0.007 Å
• b: 14.607 ± 0.007 Å
• c: 11.582 ± 0.005 Å
• α: 90°
• β: 97.501 ± 0.007°
• γ: 90°
• Cell volume: 2595 ± 2 ų
• Cell temperature: 153.1 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: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No