Information card for entry 1519775

Structure parameters

• Formula: C32 H36 Cl2 P2 Pd2 S2
• Calculated formula: C32 H36 Cl2 P2 Pd2 S2
• SMILES: [Pd]12([S]([C@H](C[P]1(c1ccccc1)c1ccccc1)CC)[Pd]1(Cl)[S]2[C@H](C[P]1(c1ccccc1)c1ccccc1)CC)Cl.[Pd]12([S]([C@@H](C[P]1(c1ccccc1)c1ccccc1)CC)[Pd]1(Cl)[S]2[C@@H](C[P]1(c1ccccc1)c1ccccc1)CC)Cl
• Title of publication: C32H36Cl2P2Pd2S2
• Authors of publication: Dervisi, Athanasia; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2006
• Pages of publication: 1058
• a: 42.3472 ± 0.001 Å
• b: 9.8258 ± 0.0003 Å
• c: 17.1627 ± 0.0003 Å
• α: 90°
• β: 99.789 ± 0.001°
• γ: 90°
• Cell volume: 7037.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No