Information card for entry 7044107

Structure parameters

• Formula: C39 H41 Cl0 F3 N3 O3 P Pd S
• Calculated formula: C39 H36 F3 N3 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: 12.9799 ± 0.0005 Å
• b: 13.0932 ± 0.0005 Å
• c: 13.5428 ± 0.0005 Å
• α: 100.284 ± 0.001°
• β: 104.9 ± 0.001°
• γ: 106.068 ± 0.001°
• Cell volume: 2058.59 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No