Information card for entry 1572246

Structure parameters

• Chemical name: [(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate
• Formula: C34 H42 B F4 N3 P Rh
• Calculated formula: C34 H42 B F4 N3 P Rh
• Title of publication: [(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate
• Authors of publication: Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 8
• a: 10.0296 ± 0.0003 Å
• b: 10.3718 ± 0.0003 Å
• c: 18.1424 ± 0.0004 Å
• α: 99.27 ± 0.002°
• β: 93.906 ± 0.002°
• γ: 118.766 ± 0.003°
• Cell volume: 1609.45 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No