Information card for entry 4083132

Structure parameters

• Formula: C26 H30 Cl F6 N3 P Rh Se
• Calculated formula: C26 H30 Cl F6 N3 P Rh Se
• SMILES: c1ccccc1[Se]1Cc2cn(Cc3ccccc3)n[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: Catalyst Activation with Cp*RhIII/IrIII‒1,2,3-Triazole-Based Organochalcogen Ligand Complexes: Transfer Hydrogenation via Loss of Cp* andN-MethylmorpholineN-Oxide Based vs Oppenauer-Type Oxidation
• Authors of publication: Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2341
• a: 9.355 ± 0.0019 Å
• b: 22.953 ± 0.005 Å
• c: 13.998 ± 0.003 Å
• α: 90°
• β: 94.068 ± 0.004°
• γ: 90°
• Cell volume: 2998.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No