Information card for entry 7703459

Structure parameters

• Formula: C28 H33 Cl F6 Ir N4 P
• Calculated formula: C28 H33 Cl F6 Ir N4 P
• Title of publication: Novel iridium complexes with N-heterocyclic dicarbene ligands in light-driven water oxidation catalysis: photon management, ligand effect and catalyst evolution.
• Authors of publication: Volpe, Andrea; Natali, Mirco; Graiff, Claudia; Sartorel, Andrea; Tubaro, Cristina; Bonchio, Marcella
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2696 - 2705
• a: 14.439 ± 0.003 Å
• b: 12.898 ± 0.003 Å
• c: 15.652 ± 0.003 Å
• α: 90°
• β: 92.895 ± 0.003°
• γ: 90°
• Cell volume: 2911.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No