Information card for entry 7012229

Structure parameters

• Formula: C32 H36 Cl2 P2 Pd2 S2
• Calculated formula: C32 H36 Cl2 P2 Pd2 S2
• SMILES: [C@H]1(CC)C[P](c2ccccc2)(c2ccccc2)[Pd]23([S]1[Pd]13([P](C[C@H](CC)[S]21)(c1ccccc1)c1ccccc1)Cl)Cl.[C@@H]1(CC)C[P](c2ccccc2)(c2ccccc2)[Pd]23([S]1[Pd]13([P](C[C@@H](CC)[S]21)(c1ccccc1)c1ccccc1)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: 14.955 ± 0.003 Å
• b: 14.401 ± 0.003 Å
• c: 15.281 ± 0.003 Å
• α: 90°
• β: 92.33 ± 0.03°
• γ: 90°
• Cell volume: 3288.3 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No