Information card for entry 7717240

Structure parameters

• Formula: C43 H28 F6 Ir N6 P
• Calculated formula: C43 H28 F6 Ir N6 P
• Title of publication: Tunability of triplet excited states and photophysical behaviour of bis-cyclometalated iridium(III) complexes with imidazo[4,5-<i>f</i>][1,10]phenanthroline.
• Authors of publication: Choroba, Katarzyna; Palion-Gazda, Joanna; Penkala, Mateusz; Rawicka, Patrycja; Machura, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 44
• Pages of publication: 17934 - 17947
• a: 15.2609 ± 0.0005 Å
• b: 15.7886 ± 0.0005 Å
• c: 15.9948 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3853.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No