Information card for entry 7010695

Structure parameters

• Formula: C17 H26 F10 O4 P Rh S
• Calculated formula: C17 H26 F10 O4 P Rh S
• SMILES: [Rh]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C(C(C(F)(F)F)(F)F)(F)F)([P](C)(C)C)[OH2].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands
• Authors of publication: Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 2270
• a: 7.9856 ± 0.0002 Å
• b: 10.2371 ± 0.0002 Å
• c: 15.1273 ± 0.0004 Å
• α: 83.216 ± 0.001°
• β: 85.286 ± 0.002°
• γ: 82.055 ± 0.001°
• Cell volume: 1213.47 ± 0.05 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: 0.0464
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No