Information card for entry 1564362

Structure parameters

• Chemical name: (Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-\ 1,2,4-triazol-5-ylidene)rhodium(I)
• Formula: C14 H23 Br0.16 Cl0.84 N3 Rh
• Calculated formula: C14 H23 Br0.154 Cl0.846 N3 Rh
• Title of publication: (Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)rhodium(I)
• Authors of publication: Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 8
• Pages of publication: x210811
• a: 9.4146 ± 0.0013 Å
• b: 11.9706 ± 0.0017 Å
• c: 13.702 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1544.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes