Information card for entry 7129198

Structure parameters

• Formula: C122.5 H102 Cl2 F10 Ir2 N6 O4 P4 Zn2
• Calculated formula: C122.5 H102 Cl2 F10 Ir2 N6 O4 P4 Zn2
• Title of publication: Modulation of H⁺/H^- exchange in iridium-hydride 2-hydroxypyridine complexes by remote Lewis acids.
• Authors of publication: Shanahan, J. P.; Moore, C. M.; Kampf, Jeff W.; Szymczak, N. K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 88
• Pages of publication: 11705 - 11708
• a: 15.0726 ± 0.0004 Å
• b: 19.6116 ± 0.0006 Å
• c: 20.9592 ± 0.0006 Å
• α: 74.069 ± 0.003°
• β: 71.86 ± 0.002°
• γ: 80.182 ± 0.002°
• Cell volume: 5636.9 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No