Information card for entry 7044108

Structure parameters

• Formula: C33 H37 Br2 N2 P
• Calculated formula: C33 H37 Br2 N2 P
• SMILES: C1=[N+](CCN1CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C.[Br-].[Br-]
• 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: 9.6755 ± 0.0002 Å
• b: 12.7591 ± 0.0003 Å
• c: 13.7838 ± 0.0003 Å
• α: 108.122 ± 0.002°
• β: 100.266 ± 0.002°
• γ: 98.136 ± 0.002°
• Cell volume: 1555.63 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No