Information card for entry 7025527

Structure parameters

• Formula: C47 H45 Cl O2 P3 Rh S
• Calculated formula: C47 H45 Cl O2 P3 Rh S
• SMILES: [Rh]1(Cl)([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)[P](CCCS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, characterization and structures of cyclic organorhodium complexes of the type [Rh{CH(SO₂Ph)CH₂CH₂YR₂-κC,κY}L₂] (YR₂ = PPh₂, NMe₂; L₂ = diphosphine, cyclooctadiene).
• Authors of publication: Block, Michael; Wagner, Christoph; Gómez-Ruiz, Santiago; Steinborn, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 4636 - 4646
• a: 21.349 ± 0.005 Å
• b: 16.099 ± 0.005 Å
• c: 12.008 ± 0.005 Å
• α: 90°
• β: 94.237 ± 0.005°
• γ: 90°
• Cell volume: 4116 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No