Information card for entry 2236210

Structure parameters

• Chemical name: Bis[(1,1'-biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium] di-μ-chlorido-bis[dichloridopalladate(II)]
• Formula: C40 H52 Cl6 P2 Pd2
• Calculated formula: C40 H52 Cl6 P2 Pd2
• SMILES: c12c(cccc1)c1c(cccc1)[P+]2(C(C)(C)C)C(C)(C)C.[Cl]1[Pd](Cl)(Cl)[Cl][Pd]1(Cl)Cl.c12c(cccc1)c1c(cccc1)[P+]2(C(C)(C)C)C(C)(C)C
• Title of publication: Bis[(1,1'-biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium] di-μ-chlorido-bis[dichloridopalladate(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: m1247
• a: 8.3247 ± 0.0002 Å
• b: 11.2697 ± 0.0002 Å
• c: 11.7004 ± 0.0003 Å
• α: 73.0982 ± 0.0006°
• β: 85.09 ± 0.0006°
• γ: 82.2708 ± 0.0005°
• Cell volume: 1039.49 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.015
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes