Information card for entry 7236702

Structure parameters

• Formula: C76 H82 B20 Ir2 N6 O
• Calculated formula: C76 H82 B20 Ir2 N6 O
• 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: 9.7157 ± 0.0001 Å
• b: 23.9775 ± 0.0004 Å
• c: 16.191 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3771.83 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No