Information card for entry 2214355

Structure parameters

• Chemical name: <i>cis</i>-[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)cyclohexyl- κ^3^<i>P</i>,C^1^,<i>P</i>']bromidopalladium(II)
• Formula: C24 H49 Br P2 Pd
• Calculated formula: C24 H49 Br P2 Pd
• SMILES: [Pd]12(Br)[P](C(C)(C)C)(C(C)(C)C)C[C@H]3C2[C@H](CCC3)C[P]1(C(C)(C)C)C(C)(C)C.[Pd]12(Br)[P](C(C)(C)C)(C(C)(C)C)C[C@@H]3C2[C@@H](CCC3)C[P]1(C(C)(C)C)C(C)(C)C
• Title of publication: <i>cis</i>-[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)cyclohexyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']bromidopalladium(II)
• Authors of publication: Olsson, Daniel; Janse van Rensburg, J. Marthinus; Wendt, Ola F
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1969 - m1969
• a: 11.4392 ± 0.0002 Å
• b: 15.7757 ± 0.0002 Å
• c: 15.6508 ± 0.0002 Å
• α: 90°
• β: 97.846 ± 0.002°
• γ: 90°
• Cell volume: 2797.92 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes