Information card for entry 1567150

Structure parameters

• Formula: C25 H48 F6 Ir N4 O P3
• Calculated formula: C25 H48 F6 Ir N4 O P3
• Title of publication: The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.
• Authors of publication: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 26
• Pages of publication: 7837 - 7845
• a: 13.2443 ± 0.0002 Å
• b: 16.1281 ± 0.0003 Å
• c: 16.2491 ± 0.0003 Å
• α: 77.427 ± 0.001°
• β: 82.219 ± 0.001°
• γ: 84.357 ± 0.001°
• Cell volume: 3347.95 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No