Information card for entry 7027040

Structure parameters

• Formula: C18 H35 F3 O3 P Rh S
• Calculated formula: C18 H35 F3 O3 P Rh S
• SMILES: [Rh]12([P](C(C)C)(C(C)C)C(C)C)([O]S(=[O]1)(=O)C(F)(F)F)[CH]1=[CH]2CCCCCC1
• Title of publication: Preparation, molecular structure and reactivity of mono- and di-nuclear sulfonato rhodium(I) complexes
• Authors of publication: Werner, Helmut; Bosch, Marco; Schneider, Michael E.; Hahn, Christine; Kukla, Frank; Manger, Matthias; Windmüller, Bettina; Weberndörfer, Birgit; Laubender, Matthias
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 21
• Pages of publication: 3549
• a: 14.177 ± 0.003 Å
• b: 17.626 ± 0.006 Å
• c: 19.038 ± 0.006 Å
• α: 90°
• β: 103.61 ± 0.03°
• γ: 90°
• Cell volume: 4624 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.0619
• Goodness-of-fit parameter for all reflections: 0.813
• Goodness-of-fit parameter for significantly intense reflections: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No