Information card for entry 7045899

Structure parameters

• Formula: C25.17 H37.33 B Cl0.33 F2 O2 P2 Pd
• Calculated formula: C25.1667 H37.3333 B Cl0.333333 F2 O2 P2 Pd
• Title of publication: Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.
• Authors of publication: Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5366 - 5379
• a: 25.6108 ± 0.0012 Å
• b: 13.8705 ± 0.0006 Å
• c: 23.6977 ± 0.001 Å
• α: 90°
• β: 101.385 ± 0.0013°
• γ: 90°
• Cell volume: 8252.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No