Information card for entry 7237949

Structure parameters

• Formula: C40 H30 F4 Ir N3 O5
• Calculated formula: C40 H30 F4 Ir N3 O5
• Title of publication: Strategic modification of ligands for remarkable piezochromic luminescence (PCL) based on a neutral Ir(iii) phosphor
• Authors of publication: Li, Dan; Li, Guangfu; Xie, Jiaxin; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 35
• Pages of publication: 10876
• a: 17.686 ± 0.003 Å
• b: 10.9614 ± 0.0016 Å
• c: 19.865 ± 0.003 Å
• α: 90°
• β: 106.682 ± 0.008°
• γ: 90°
• Cell volume: 3689 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No