Information card for entry 7025528

Structure parameters

• Formula: C29 H32 O2 P Rh S
• Calculated formula: C29 H32 O2 P Rh S
• SMILES: C1(CC[P](c2ccccc2)(c2ccccc2)[Rh]2341[CH]1=[CH]2CC[CH]3=[CH]4CC1)S(=O)(=O)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: 9.3705 ± 0.0009 Å
• b: 12.1565 ± 0.0011 Å
• c: 12.6514 ± 0.0013 Å
• α: 63.954 ± 0.007°
• β: 78.562 ± 0.008°
• γ: 77.146 ± 0.007°
• Cell volume: 1254 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No