Information card for entry 4314717

Structure parameters

• Formula: C12 H17 Cl2 N Pd S2
• Calculated formula: C12 H17 Cl2 N Pd S2
• SMILES: [Pd]1([S]2CC[NH]1CCSCc1cc(C2)ccc1)(Cl)Cl
• Title of publication: Discrete Mercury(II) Complexes, One-Dimensional and Palladium(II)-Mediated Two-Dimensional Silver(I) Coordination Polymers of NS2-Macrocycle: Synthesis and Structural Characterization
• Authors of publication: Sunhong Park; So Young Lee; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1238 - 1244
• a: 8.9062 ± 0.0006 Å
• b: 12.0658 ± 0.0008 Å
• c: 14.4428 ± 0.0009 Å
• α: 90°
• β: 104.534 ± 0.001°
• γ: 90°
• Cell volume: 1502.36 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No