Information card for entry 4309977

Structure parameters

• Common name: S4ligand
• Formula: C73 H131 Cl3 S4 Si12
• Calculated formula: C73 H131 Cl3 S4 Si12
• SMILES: S(c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1Sc1ccccc1Sc1ccccc1Sc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.C(Cl)(Cl)Cl
• Title of publication: Synthesis and Structure of a Distorted Octahedral Palladium(II) Complex Coordinated with a Tetrathioether Ligand Tethered with Bulky Substituents
• Authors of publication: Nobuhiro Takeda; Daisuke Shimizu; Norihiro Tokitoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8561 - 8568
• a: 14.0803 ± 0.0006 Å
• b: 16.5775 ± 0.0007 Å
• c: 19.9887 ± 0.0009 Å
• α: 90°
• β: 90.613 ± 0.003°
• γ: 90°
• Cell volume: 4665.4 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No