Information card for entry 4341215

Structure parameters

• Formula: C20.5 H16.5 Cl0.5 F1.5 Ir0.5 N O1.5 P S0.5
• Calculated formula: C20.5 H16.5 Cl0.5 F1.5 Ir0.5 N O1.5 P S0.5
• Title of publication: Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.
• Authors of publication: Bohle, D. Scott; Chua, Zhijie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11160 - 11172
• a: 9.38 ± 0.008 Å
• b: 23.239 ± 0.019 Å
• c: 10.248 ± 0.008 Å
• α: 90°
• β: 95.498 ± 0.012°
• γ: 90°
• Cell volume: 2224 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 9
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No