Information card for entry 7046898

Structure parameters

• Formula: C22 H35 B10 Cl Ir N3
• Calculated formula: C22 H35 B10 Cl Ir N3
• Title of publication: Triazole vs. triazolium carbene ligands in the site-selective cyclometallation of o-carboranes by M(iii) (M = Ir, Rh) complexes.
• Authors of publication: Frutos, María; Gómez-Gallego, Mar; Giner, Elena A.; Sierra, Miguel A.; Ramírez de Arellano, Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 9975 - 9979
• a: 31.5605 ± 0.0009 Å
• b: 8.6073 ± 0.0002 Å
• c: 20.2755 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5507.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No