Information card for entry 2237976

Structure parameters

• Chemical name: Aquabis(4-methylbenzenesulfonato-κ<i>O</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) monohydrate
• Formula: C24 H33 O8 Rh S2
• Calculated formula: C24 H33 O8 Rh S2
• SMILES: [Rh]1234(OS(=O)(=O)c5ccc(cc5)C)(OS(=O)(=O)c5ccc(cc5)C)([OH2])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.O
• Title of publication: Aquabis(4-methylbenzenesulfonato-κ<i>O</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) monohydrate
• Authors of publication: Roy, Christopher P.; Boyer, Pauline M.; Merola, Joseph S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m259 - m260
• a: 23.55 ± 0.008 Å
• b: 18.814 ± 0.007 Å
• c: 12.114 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5367 ± 3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes