Information card for entry 7125598

Structure parameters

• Formula: C35 H24 F3 Ir N6 O3 S
• Calculated formula: C35 H24 F3 Ir N6 O3 S
• Title of publication: A trinuclear bright red luminophore containing cyclometallated Ir(III) motifs.
• Authors of publication: Chandrasekhar, Vadapalli; Rahaman, S. M. Wahidur; Hajra, Tanima; Das, Dipak; Ghatak, Tapas; Rafiq, Shahnawaz; Sen, Pratik; Bera, Jitendra K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 10836 - 10838
• a: 8.6494 ± 0.0008 Å
• b: 31.08 ± 0.003 Å
• c: 12.1964 ± 0.0011 Å
• α: 90°
• β: 94.251 ± 0.002°
• γ: 90°
• Cell volume: 3269.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No