Information card for entry 2010663

Structure parameters

• Chemical name: Di-μ-chloro-bis{1,2-bis(diphenylphosphino)ethane}dipalladium(II) bis(tetrafluoroborate).2CDCl~3~
• Formula: C54 H48 B2 Cl8 D2 F8 P4 Pd2
• Calculated formula: C54 H50 B2 Cl8 F8 P4 Pd2
• SMILES: [B](F)(F)(F)[F-].C1[P](c2ccccc2)([Pd]2([P](C1)(c1ccccc1)c1ccccc1)[Cl][Pd]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Cl]2)c1ccccc1.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)(Cl)Cl
• Title of publication: Inhibition of a palladium(II) catalyst upon formation of a di-μ-chloro complex: di-μ-chloro-bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']dipalladium(II) bis(tetrafluoroborate) bis(deuterochloroform) solvate
• Authors of publication: Abu-Surrah, Adnan S.; Klinga, Martti; Repo, Timo; Leskelä, Markku; Debaerdemaeker, Tony; Rieger, Bernhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e44 - e45
• a: 10.868 ± 0.0014 Å
• b: 12.5889 ± 0.0016 Å
• c: 13.835 ± 0.002 Å
• α: 114.432 ± 0.013°
• β: 109.881 ± 0.013°
• γ: 95.87 ± 0.014°
• Cell volume: 1554 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes