Information card for entry 7012232

Structure parameters

• Formula: C34 H33 Cl P2 Pd S
• Calculated formula: C34 H33 Cl P2 Pd S
• SMILES: [Pd]1(Cl)(SC(C[P]1(c1ccccc1)c1ccccc1)CC)[P](c1ccccc1)(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: 8.509 ± 0.002 Å
• b: 10.5654 ± 0.0013 Å
• c: 17.553 ± 0.002 Å
• α: 90°
• β: 99.021 ± 0.014°
• γ: 90°
• Cell volume: 1558.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No