Information card for entry 7129199

Structure parameters

• Formula: C53.75 H48.5 Cl1.5 Ir N3 O2.5 P2
• Calculated formula: C53.75 H48.5 Cl1.5 Ir N3 O2.5 P2
• 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: 15.951 ± 0.0001 Å
• b: 27.4111 ± 0.0002 Å
• c: 23.7638 ± 0.0001 Å
• α: 90°
• β: 103.551 ± 0.001°
• γ: 90°
• Cell volume: 10101.1 ± 0.11 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No