Information card for entry 4080831

Structure parameters

• Common name: Na[Ag(NHC)Cl].2SOMe2
• Formula: C31 H49 Ag Cl N2 Na2 O8 S4
• Calculated formula: C31 H37 Ag Cl N2 Na2 O8 S4
• SMILES: C1(=[Ag]Cl)N(C=CN1c1c(C(C)C)cc(cc1C(C)C)S(=O)(=O)[O-])c1c(C(C)C)cc(cc1C(C)C)S(=O)(=O)[O-].[Na+].O=S(C)C.[Na+].CS(=O)C
• 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: 10.2882 ± 0.0003 Å
• b: 14.4724 ± 0.0004 Å
• c: 31.03 ± 0.0009 Å
• α: 90°
• β: 91.991 ± 0.001°
• γ: 90°
• Cell volume: 4617.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.139
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2467
• Weighted residual factors for all reflections included in the refinement: 0.2975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No