Information card for entry 7044105

Structure parameters

• Formula: C37 H34 Cl F3 N2 O3 P Pd S
• Calculated formula: C37 H34 Cl F3 N2 O3 P Pd S
• Title of publication: A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]
• Authors of publication: CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 32.4379 ± 0.0016 Å
• b: 12.1195 ± 0.0006 Å
• c: 24.8212 ± 0.0013 Å
• α: 90°
• β: 128.413 ± 0.001°
• γ: 90°
• Cell volume: 7645.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No