Information card for entry 4309976

Structure parameters

• Common name: PhPdCl2
• Formula: C30 H22 Cl2 Pd S4
• Calculated formula: C30 H22 Cl2 Pd S4
• SMILES: [Pd]1(Cl)([S](c2ccccc2[S]1c1ccccc1)c1c(Sc2c(Sc3ccccc3)cccc2)cccc1)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: 9.4221 ± 0.0018 Å
• b: 10.779 ± 0.002 Å
• c: 14.826 ± 0.003 Å
• α: 80.988 ± 0.007°
• β: 76.2 ± 0.007°
• γ: 73.758 ± 0.005°
• Cell volume: 1397.4 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No