Information card for entry 2023459

Structure parameters

• Chemical name: (4-Benzyl-1-ethyl-1,2,4-triazol-5-ylidene)chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]rhodium(I)
• Formula: C19 H25 Cl N3 Rh
• Calculated formula: C19 H25 Cl N3 Rh
• Title of publication: Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.
• Authors of publication: Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 4
• Pages of publication: 350 - 357
• a: 10.1404 ± 0.0002 Å
• b: 10.2958 ± 0.0002 Å
• c: 10.3306 ± 0.0002 Å
• α: 116.818 ± 0.002°
• β: 103.489 ± 0.002°
• γ: 93.997 ± 0.002°
• Cell volume: 916.78 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No