Information card for entry 7006944

Structure parameters

• Formula: C15 H20 O3 S3 Si W
• Calculated formula: C15 H20 O3 S3 Si W
• SMILES: C1[Si]2(C[S](C)[W](C#[O])(C#[O])(C#[O])([S]1C)[S](C2)C)c1ccccc1
• Title of publication: Novel tripod ligands for prickly self-assembled monolayers.
• Authors of publication: Weidner, Tobias; Krämer, Andreas; Bruhn, Clemens; Zharnikov, Michael; Shaporenko, Andrey; Siemeling, Ulrich; Träger, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 23
• Pages of publication: 2767 - 2777
• a: 13.1471 ± 0.0008 Å
• b: 23.7606 ± 0.0019 Å
• c: 12.7676 ± 0.0008 Å
• α: 90°
• β: 103.895 ± 0.005°
• γ: 90°
• Cell volume: 3871.7 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No