Information card for entry 7044109

Structure parameters

• Formula: C54 H58 Ag2 Br2 N4 O2 P2
• Calculated formula: C54 H58 Ag2 Br2 N4 O2 P2
• SMILES: C1(N(C=CN1CCCP(=O)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)=[Ag]1[Br][Ag](=C2N(C=CN2CCCP(=O)(c2ccccc2)c2ccccc2)c2c(cc(cc2C)C)C)[Br]1
• 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: 15.1723 ± 0.0002 Å
• b: 9.5115 ± 0.0002 Å
• c: 18.0882 ± 0.0003 Å
• α: 90°
• β: 93.349 ± 0.001°
• γ: 90°
• Cell volume: 2605.87 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No