Information card for entry 2236666

Structure parameters

• Chemical name: (Acetato-κ^2^<i>O</i>,<i>O</i>')[2'-(di-<i>tert</i>-butylphosphanyl)-1,1'- biphenyl-κ^2^<i>P</i>,<i>C</i>^2^]palladium(II)
• Formula: C22 H29 O2 P Pd
• Calculated formula: C22 H29 O2 P Pd
• SMILES: C1(C)=[O][Pd]2(c3c(c4c(cccc4)[P]2(C(C)(C)C)C(C)(C)C)cccc3)O1
• Title of publication: (Acetato-κ^2^<i>O</i>,<i>O</i>')[2'-(di-<i>tert</i>-butylphosphanyl)-1,1'-biphenyl-κ^2^<i>P</i>,<i>C</i>^2^]palladium(II)
• Authors of publication: Arderne, Charmaine; Holzapfel, Cedric W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1308
• a: 9.8 ± 0.003 Å
• b: 14.2392 ± 0.0004 Å
• c: 14.7772 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes