Information card for entry 7103654

Structure parameters

• Formula: C30 H34 Cl4 P2 Pd
• Calculated formula: C30 H34 Cl4 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P@@]23[C@H](C[C@@H]([P@@]41C(=C(C(=C4c1ccccc1)C)C)C2=C(C(=C3c1ccccc1)C)C)C)C.C(Cl)Cl
• Authors of publication: C.Ortega-Alfaro; M.Gouygou; J.-C.Daran
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 9.1318 ± 0.0007 Å
• b: 12.1101 ± 0.0011 Å
• c: 14.1276 ± 0.001 Å
• α: 90°
• β: 104.042 ± 0.008°
• γ: 90°
• Cell volume: 1515.6 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No