Information card for entry 4083140

Structure parameters

• Formula: C30 H33 Cl F6 P Rh S2
• Calculated formula: C30 H33 Cl F6 P Rh S2
• SMILES: c1(ccccc1)[S]1Cc2ccccc2C[S](c2ccccc2)[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: Half-Sandwich Rhodium/Iridium(III) Complexes Designed with Cp* and 1,2-Bis(phenylchalcogenomethyl)benzene as Catalysts for Transfer Hydrogenation in Glycerol
• Authors of publication: Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2535
• a: 9.9269 ± 0.0011 Å
• b: 11.2556 ± 0.0012 Å
• c: 15.0062 ± 0.0016 Å
• α: 107.804 ± 0.002°
• β: 106.454 ± 0.002°
• γ: 96.941 ± 0.002°
• Cell volume: 1491 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No