Information card for entry 7058729

Structure parameters

• Common name: Ir-complex
• Formula: C35 H45 Cl F6 Ir N2 P
• Calculated formula: C35 H45 Cl F6 Ir N2 P
• Title of publication: Photochemical oxidation of water catalysed by cyclometalated Ir(iii) complexes bearing Schiff-base ligands
• Authors of publication: Dhiman, Rekha; Nagaraja, C. M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13662
• a: 13.886 ± 0.005 Å
• b: 16.596 ± 0.005 Å
• c: 15.351 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.856 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3485 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0189
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No