Information card for entry 7125597

Structure parameters

• Formula: C97 H78 Cl4 F9 Ir3 N16 O9 S3
• Calculated formula: C97 H78 Cl4 F9 Ir3 N16 O9 S3
• 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: 13.693 ± 0.0018 Å
• b: 16.735 ± 0.002 Å
• c: 26.001 ± 0.003 Å
• α: 88.665 ± 0.002°
• β: 86.297 ± 0.002°
• γ: 85.269 ± 0.002°
• Cell volume: 5924.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No