Information card for entry 7050811

Structure parameters

• Formula: C34 H31 Cl8 N P2 Pd S
• Calculated formula: C34 H31 Cl8 N P2 Pd S
• SMILES: [Pd]1(Cl)(Cl)[S]=P(N([P]1(c1ccccc1)c1ccccc1)[C@@H](C)c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Complexes of elements of groups 9 and 10 with new chiral chelating bisphosphine monosulfide and monoselenide ligands
• Authors of publication: Faller, Jack W.; Lloret-Fillol, Julio; Parr, Jonathan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 883
• a: 10.2033 ± 0.0005 Å
• b: 16.3289 ± 0.0008 Å
• c: 11.7551 ± 0.0005 Å
• α: 90°
• β: 96.269 ± 0.003°
• γ: 90°
• Cell volume: 1946.79 ± 0.16 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 0.987
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No