Information card for entry 7012230

Structure parameters

• Formula: C32 H36 P2 Pd S2
• Calculated formula: C32 H36 P2 Pd S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C[C@H](CC)S[Pd]21[P](C[C@H](CC)S2)(c1ccccc1)c1ccccc1
• 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: 9.0549 ± 0.0018 Å
• b: 10.873 ± 0.002 Å
• c: 15.972 ± 0.003 Å
• α: 109.06 ± 0.03°
• β: 90.56 ± 0.03°
• γ: 101.02 ± 0.03°
• Cell volume: 1454.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No