Information card for entry 2237064

Structure parameters

• Chemical name: <i>cis</i>-{2,6-Bis[(di-<i>tert</i>- butylphosphanyl)methyl]cyclohexyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}chloridopalladium(II)
• Formula: C24 H49 Cl P2 Pd
• Calculated formula: C24 H49 Cl P2 Pd
• SMILES: [Pd]12(Cl)[P](C[C@@H]3C2[C@@H](CCC3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: <i>cis</i>-{2,6-Bis[(di-<i>tert</i>-butylphosphanyl)methyl]cyclohexyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}chloridopalladium(II)
• Authors of publication: Olsson, Daniel; Janse van Rensburg, J. Marthinus; Wendt, Ola F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1513
• a: 11.9467 ± 0.0002 Å
• b: 14.6159 ± 0.0002 Å
• c: 15.519 ± 0.0003 Å
• α: 90°
• β: 100.339 ± 0.002°
• γ: 90°
• Cell volume: 2665.8 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes