Information card for entry 4309979

Structure parameters

• Common name: S4PdCl2
• Formula: C74 H134 Cl6 Pd S4 Si12
• Calculated formula: C74 H134 Cl6 Pd S4 Si12
• SMILES: c1(cc(C([Si](C)(C)C)[Si](C)(C)C)cc(c1Sc1c(cccc1)[S]1[Pd](Cl)([S](c2c1cccc2)c1ccccc1Sc1c(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)Cl)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.C(Cl)Cl.C(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: 41.273 ± 0.003 Å
• b: 12.8906 ± 0.0006 Å
• c: 19.3198 ± 0.0011 Å
• α: 90°
• β: 105.752 ± 0.002°
• γ: 90°
• Cell volume: 9892.8 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No