Information card for entry 4347207

Structure parameters

• Formula: C32 H16 Cl4 F4 Ir N3 O4
• Calculated formula: C32 H16 Cl4 F4 Ir N3 O4
• Title of publication: A Highly Selective Chemosensor for Cyanide Derived from a Formyl-Functionalized Phosphorescent Iridium(III) Complex.
• Authors of publication: Bejoymohandas, K. S.; Kumar, Ajay; Sreenadh, S.; Varathan, E.; Varughese, S.; Subramanian, V.; Reddy, M. L. P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3448 - 3461
• a: 10.6113 ± 0.0006 Å
• b: 11.9461 ± 0.0007 Å
• c: 14.5644 ± 0.0008 Å
• α: 81.002 ± 0.003°
• β: 70.85 ± 0.002°
• γ: 68.847 ± 0.002°
• Cell volume: 1625.04 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No