Information card for entry 7045326

Structure parameters

• Formula: C23 H29 Cl Ir N3 O1.5
• Calculated formula: C23 H29 Cl Ir N3 O1.5
• Title of publication: Ligand dynamics and protonation preferences of Rh and Ir complexes bearing an almost, but not quite, pendent base.
• Authors of publication: Morrow, T. J.; Christman, W. E.; Williams, J. Z.; Arulsamy, N.; Goroncy, A.; Hulley, E. B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2670 - 2682
• a: 9.5235 ± 0.0002 Å
• b: 15.9622 ± 0.0004 Å
• c: 16.758 ± 0.0004 Å
• α: 114.387 ± 0.002°
• β: 97.829 ± 0.001°
• γ: 99.861 ± 0.001°
• Cell volume: 2224.3 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No