Information card for entry 7117290

Structure parameters

• Formula: C42 H42 P6
• Calculated formula: C42 H42 P6
• Title of publication: The reductive P-P coupling of primary and secondary phosphines mediated by N-heterocyclic carbenes
• Authors of publication: Heidi Schneider; David Schmidt; Udo Radius
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10138
• a: 13.896 ± 0.003 Å
• b: 13.896 ± 0.003 Å
• c: 20.034 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3350.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No