Information card for entry 7233597

Structure parameters

• Formula: C34 H20 F4 Ir N5
• Calculated formula: C34 H20 F4 Ir N5
• Title of publication: AIPE-active green phosphorescent iridium(III) complex impregnated test strips for the vapor-phase detection of 2,4,6-trinitrotoluene (TNT)
• Authors of publication: K. S. Bejoymohandas; T. M. George; S. Bhattacharya; S. Natarajan; M. L. P. Reddy
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 515 - 523
• a: 12.5196 ± 0.0003 Å
• b: 16.0199 ± 0.0005 Å
• c: 17.2926 ± 0.0004 Å
• α: 99.607 ± 0.002°
• β: 101.025 ± 0.002°
• γ: 106.326 ± 0.002°
• Cell volume: 3176.08 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No