Information card for entry 4083872

Structure parameters

• Formula: C27 H24 Cl F6 N2 P Ru S Se
• Calculated formula: C27 H24 Cl F6 N2 P Ru S Se
• SMILES: c1ccccc1[S]1CN2c3ccccc3N(C2=[Se][Ru]234561([cH]1[cH]2[cH]3[cH]4[cH]5[cH]61)Cl)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 2-Propanol vs Glycerol as Hydrogen Source in Catalytic Activation of Transfer Hydrogenation with (η6-Benzene)ruthenium(II) Complexes of Unsymmetrical Bidentate Chalcogen Ligands
• Authors of publication: Sharma, Alpesh K.; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham L.; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140702161836008
• a: 7.4916 ± 0.0016 Å
• b: 19.984 ± 0.004 Å
• c: 19.078 ± 0.004 Å
• α: 90°
• β: 98.057 ± 0.004°
• γ: 90°
• Cell volume: 2828 ± 1 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: 0.0702
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No