Information card for entry 4074323

Structure parameters

• Chemical name: 1-Mesityl-3-(3-sulfonatopropyl)imidazolium hydrate
• Formula: C15 H22 N2 O4 S
• Calculated formula: C15 H22 N2 O4 S
• SMILES: S(=O)(=O)([O-])CCCn1c[n+](cc1)c1c(cc(cc1C)C)C.O
• 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: 8.1383 ± 0.001 Å
• b: 8.3237 ± 0.0011 Å
• c: 12.7636 ± 0.0017 Å
• α: 81.437 ± 0.002°
• β: 81.868 ± 0.002°
• γ: 78.118 ± 0.002°
• Cell volume: 831.16 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No