Information card for entry 7048601

Structure parameters

• Formula: C24 H24 Br N2 P
• Calculated formula: C24 H24 Br N2 P
• Title of publication: Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.
• Authors of publication: Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1709 - 1721
• a: 15.3294 ± 0.0006 Å
• b: 15.1363 ± 0.0006 Å
• c: 18.3583 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4259.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections included in the refinement: 0.0243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No