Information card for entry 7700648

Structure parameters

• Chemical name: Ir(phenylisoquinoline)2 (2,2,5,4 terpyridine)PF6
• Formula: C45 H31 F6 Ir N5 P
• Calculated formula: C45 H31 F6 Ir N5 P
• Title of publication: Design and photophysical studies of iridium(iii)-cobalt(iii) dyads and their application for dihydrogen photo-evolution.
• Authors of publication: Lentz, Cédric; Schott, Olivier; Auvray, Thomas; Hanan, Garry S.; Elias, Benjamin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15567 - 15576
• a: 39.0974 ± 0.0012 Å
• b: 11.0469 ± 0.0003 Å
• c: 21.9827 ± 0.0007 Å
• α: 90°
• β: 110.291 ± 0.001°
• γ: 90°
• Cell volume: 8905.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No