Information card for entry 7706279

Structure parameters

• Formula: C19 H24 N2 O8 Rh2 S
• Calculated formula: C19 H24 N2 O8 Rh2 S
• SMILES: [Rh]12345[Rh]([O]=C(O2)C)(OC2OC[C@@H]([N]5=2)CC[S]1c1ccccc1)(OC(=[O]4)C)([O]=C(O3)C)[N]#CC
• Title of publication: Tuning Rh(II)-catalysed cyclopropanation with tethered thioether ligands.
• Authors of publication: Cressy, Derek; Zavala, Cristian; Abshire, Anthony; Sheffield, William; Darko, Ampofo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15779 - 15787
• a: 10.923 ± 0.0009 Å
• b: 28.185 ± 0.003 Å
• c: 14.6929 ± 0.0013 Å
• α: 90°
• β: 90.176 ± 0.002°
• γ: 90°
• Cell volume: 4523.4 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0607
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No