Information card for entry 7046897

Structure parameters

• Common name: MAS_fplh9cbIR
• Formula: C25 H37 B10 Cl Fe Ir N3
• Calculated formula: C25 H37 B10 Cl Fe 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: 10.728 ± 0.001 Å
• b: 12.273 ± 0.001 Å
• c: 23.362 ± 0.002 Å
• α: 90°
• β: 97.602 ± 0.006°
• γ: 90°
• Cell volume: 3048.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No