Information card for entry 7012233

Structure parameters

• Formula: C17 H21 Cl2 P Pd S
• Calculated formula: C17 H21 Cl2 P Pd S
• SMILES: C1(CC)C[P](c2ccccc2)(c2ccccc2)[Pd]([S]1C)(Cl)Cl
• Title of publication: Synthesis of Ni(ii), Pd(ii) and Pt(ii) complexes containing chiral phosphino-thiol and -thioether ligands
• Authors of publication: Dervisi, Athanasia; Jenkins, Robert L.; Malik, K. M. Abdul; Hursthouse, Michael B.; Coles, Simon
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1133
• a: 8.8678 ± 0.0018 Å
• b: 15.492 ± 0.003 Å
• c: 13.085 ± 0.003 Å
• α: 90°
• β: 95.49 ± 0.03°
• γ: 90°
• Cell volume: 1789.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No