Information card for entry 7242417

Structure parameters

• Formula: C53 H36 Ir N4 O4
• Calculated formula: C53 H36 Ir N4 O4
• Title of publication: Synthesis, characterization, and photoelectric properties of iridium(iii) complexes containing an N hetero-dibenzofuran C^N ligand
• Authors of publication: Ma, Zequn; Jing, Chaojun; Hang, Deyu; Fan, Hongtao; Duan, Lumeng; Fang, Shuqing; Yan, Li
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 11004 - 11010
• a: 18.6837 ± 0.0005 Å
• b: 14.4095 ± 0.0004 Å
• c: 18.9429 ± 0.0005 Å
• α: 90°
• β: 112.067 ± 0.003°
• γ: 90°
• Cell volume: 4726.3 ± 0.2 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No