Information card for entry 4337868

Structure parameters

• Formula: C14 H17 Cl O4 Pd S2
• Calculated formula: C14 H17 Cl O4 Pd S2
• SMILES: c12c3cccc1C[S]([Pd]2([S](C3)CC(=O)OC)Cl)CC(=O)OC
• Title of publication: Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.
• Authors of publication: Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3558
• a: 8.797 ± 0.002 Å
• b: 8.972 ± 0.002 Å
• c: 21.14 ± 0.005 Å
• α: 90°
• β: 98.819 ± 0.004°
• γ: 90°
• Cell volume: 1648.8 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No