Information card for entry 4080828

Structure parameters

• Common name: Na[Ag(NHC)2].6MeOH
• Formula: C60 H92 Ag N4 Na3 O18 S4
• Calculated formula: C60 H92 Ag N4 Na3 O18 S4
• SMILES: [Na+].O=S(=O)([O-])c1cc(C(C)C)c(c(c1)C(C)C)N1C(N(C=C1)c1c(C(C)C)cc(cc1C(C)C)S(=O)(=O)[O-])=[Ag]=C1N(c2c(cc(cc2C(C)C)S(=O)(=O)[O-])C(C)C)C=CN1c1c(C(C)C)cc(cc1C(C)C)S(=O)([O-])=O.OC.[Na+].OC.OC.OC.CO.[Na+].OC
• Title of publication: Sulfonated Water-Soluble N-Heterocyclic Carbene Silver(I) Complexes: Behavior in Aqueous Medium and as NHC-Transfer Agents to Platinum(II)
• Authors of publication: Baquero, Edwin A.; Silbestri, Gustavo F.; Gómez-Sal, Pilar; Flores, Juan C.; de Jesús, Ernesto
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2814
• a: 11.081 ± 0.0011 Å
• b: 17.746 ± 0.002 Å
• c: 19.476 ± 0.0012 Å
• α: 83.536 ± 0.005°
• β: 73.59 ± 0.007°
• γ: 72.324 ± 0.01°
• Cell volume: 3498.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No