Information card for entry 4074324

Structure parameters

• Chemical name: Bis(1-(2,6-Diisopropylphenyl)-3-(3-sulfonatopropyl)imidazol-2-ylidene) = silver sodium salt
• Formula: C44 H74 Ag N4 Na O10 S6
• Calculated formula: C44 H74 Ag N4 Na O10 S6
• SMILES: [Ag](=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)CCCS(=O)(=O)[O-])=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)CCCS(=O)(=O)[O-].O=S(C)C.O=S(C)C.S(=O)(C)C.[Na+].CS(=O)C
• Title of publication: Synthesis and Characterization of Water-Soluble Silver and Palladium Imidazol-2-ylidene Complexes with Noncoordinating Anionic Substituents
• Authors of publication: Moore, Lucas R.; Cooks, Sheritta M.; Anderson, Matthew S.; Schanz, Hans-Jörg; Griffin, Scott T.; Rogers, Robin D.; Kirk, Marion C.; Shaughnessy, Kevin H.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5151
• a: 12.5852 ± 0.001 Å
• b: 12.9823 ± 0.001 Å
• c: 18.973 ± 0.0015 Å
• α: 104.37 ± 0.001°
• β: 103.996 ± 0.001°
• γ: 98.913 ± 0.001°
• Cell volume: 2836.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No