Information card for entry 7025526

Structure parameters

• Formula: C41 H48 N O3 P2 Rh S
• Calculated formula: C41 H48 N O3 P2 Rh S
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[Rh]21C(CC[N]2(C)C)S(=O)(=O)c1ccccc1.C1CCCO1
• 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: 30.109 ± 0.003 Å
• b: 41.095 ± 0.004 Å
• c: 12.58 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15566 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No