Information card for entry 7225970

Structure parameters

• Formula: C53 H55 F4 Ir N4 O3 S2
• Calculated formula: C53 H55 F4 Ir N4 O3 S2
• Title of publication: Bisthienylethenes containing imidazole bridge unit and their Ir(III) complexes: influences of substituent groups on photochromism and luminescence
• Authors of publication: Cao, Deng-Ke; Gao, Tao-Bao; Gong, Dan-Ping; Ward, Michael D.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.9987 ± 0.0016 Å
• b: 13.2108 ± 0.0016 Å
• c: 17.001 ± 0.002 Å
• α: 69.213 ± 0.002°
• β: 69.523 ± 0.002°
• γ: 73.873 ± 0.002°
• Cell volume: 2517.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No