Information card for entry 7236704

Structure parameters

• Formula: C87 H130 B60 Cl2 Ir2 N6 O2
• Calculated formula: C87 H130 B60 Cl2 Ir2 N6 O2
• Title of publication: Impact of the number of o-carboranyl ligands on the photophysical and electroluminescent properties of iridium(iii) cyclometalates
• Authors of publication: Van Nghia, Nguyen; Park, Sunghee; An, Youngjoon; Lee, Junseong; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 3024
• a: 16.4471 ± 0.0003 Å
• b: 13.8499 ± 0.0002 Å
• c: 26.5812 ± 0.0004 Å
• α: 90°
• β: 92.965 ± 0.001°
• γ: 90°
• Cell volume: 6046.84 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No