Information card for entry 7044110

Structure parameters

• Formula: C70 H74 Ag4 Br6 N6 P2
• Calculated formula: C70 H74 Ag4 Br6 N6 P2
• SMILES: C1(N(c2c(C)cc(cc2C)C)C=CN1CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=[Ag]1[Br][Ag]2([Br]1)[Br][Ag]1([Br][Ag](=C3N(C=CN3CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3c(cc(cc3C)C)C)[Br]1)[Br]2.CC#N.CC#N
• 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: 9.7558 ± 0.0004 Å
• b: 12.6715 ± 0.0005 Å
• c: 15.0828 ± 0.0006 Å
• α: 92.245 ± 0.001°
• β: 93.883 ± 0.001°
• γ: 102.002 ± 0.001°
• Cell volume: 1816.89 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No