Information card for entry 7026741

Structure parameters

• Formula: C29 H41 Cl N O0.5 P Pd
• Calculated formula: C29 H41 Cl N O0.5 P Pd
• Title of publication: Chiral Birch reduced tertiary phosphines: precursors to asymmetric 1,2-cyclohexenebis(tertiary phosphines).
• Authors of publication: Bulbrook, Michelle; Chu, Minghui; Deane, Karen; Doyle, Roy J.; Hinc, Justina; Peterson, Charlotte; Salem, Geoffrey; Thorman, Nadia; Willis, Anthony C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 8878 - 8881
• a: 11.5899 ± 0.0002 Å
• b: 11.5899 ± 0.0002 Å
• c: 42.4182 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5697.86 ± 0.18 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8527
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No