Information card for entry 7041180

Structure parameters

• Formula: C37 H26 F4 Ir N3 O
• Calculated formula: C37 H26 F4 Ir N3 O
• SMILES: c12ccccc1C=[N]([C@@H](c1ccccc1)C)[Ir]13(c4c(c5cccc[n]15)c(cc(c4)F)F)(c1c(c4cccc[n]34)c(cc(c1)F)F)O2
• Title of publication: Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.
• Authors of publication: Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19234 - 19237
• a: 10.0391 ± 0.0013 Å
• b: 16.249 ± 0.002 Å
• c: 18.799 ± 0.002 Å
• α: 90°
• β: 99.547 ± 0.002°
• γ: 90°
• Cell volume: 3024.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No