Information card for entry 7027039

Structure parameters

• Formula: C25 H49 O3 P2 Rh S
• Calculated formula: C25 H49 O3 P2 Rh S
• SMILES: [Rh]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[O]=S(O1)(=O)c1ccc(cc1)C
• 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: 10.498 ± 0.004 Å
• b: 14.104 ± 0.003 Å
• c: 20.276 ± 0.007 Å
• α: 90°
• β: 92.89 ± 0.02°
• γ: 90°
• Cell volume: 2998.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.0666
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No