Information card for entry 2007036

Structure parameters

• Chemical name: dichloro{(S,S)-trans-diphenyl[(2- diphenylphosphinyl)cyclohexyl]phosphinicacidester}palladium(II)
• Formula: C30 H30 Cl2 O P2 Pd
• Calculated formula: C30 H30 Cl2 O P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([C@@H]2[C@@H](O[P]1(c1ccccc1)c1ccccc1)CCCC2)(c1ccccc1)c1ccccc1
• Title of publication: Ligands with Cycloalkane Backbones. IV. Dichloro{(<i>S</i>,<i>S</i>)-<i>trans</i>-diphenyl[(2-diphenylphosphinyl)cyclohexyl]phosphinic acid ester}palladium(II)
• Authors of publication: Thurner, C. L.; Barz, M.; Spiegler, M.; Thiel, W. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 227 - 228
• a: 14.407 ± 0.001 Å
• b: 8.425 ± 0.001 Å
• c: 11.777 ± 0.001 Å
• α: 90°
• β: 100.93 ± 0.01°
• γ: 90°
• Cell volume: 1403.5 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0258
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No