Information card for entry 4083978

Structure parameters

• Formula: C23 H26 Cl F6 N O2 P Rh S
• Calculated formula: C23 H26 Cl F6 N O2 P Rh S
• SMILES: c1(ccccc1C(=O)O)[S]1Cc2cccc[n]2[Rh]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Transfer Hydrogenation (pH Independent) of Ketones and Aldehydes in Water with Glycerol: Ru, Rh, and Ir Catalysts with a COOH Group near the Metal on a (Phenylthio)methyl-2-pyridine Scaffold
• Authors of publication: Prakash, Om; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham Lal; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3804
• a: 8.2851 ± 0.0014 Å
• b: 16.684 ± 0.003 Å
• c: 18.643 ± 0.003 Å
• α: 90°
• β: 92.503 ± 0.003°
• γ: 90°
• Cell volume: 2574.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No