Information card for entry 4344983

Structure parameters

• Formula: C35 H25 Br F2 Ir N3 O1.5
• Calculated formula: C35 H25 Br F2 Ir N3 O1.5
• Title of publication: Efficient Synthesis of Tris-Heteroleptic Iridium(III) Complexes Based on the Zn(2+)-Promoted Degradation of Tris-Cyclometalated Iridium(III) Complexes and Their Photophysical Properties.
• Authors of publication: Tamura, Yuichi; Hisamatsu, Yosuke; Kumar, Sarvendra; Itoh, Taiki; Sato, Kyouhei; Kuroda, Reiko; Aoki, Shin
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 812 - 833
• a: 9.5171 ± 0.0007 Å
• b: 12.9204 ± 0.0009 Å
• c: 13.0846 ± 0.001 Å
• α: 70.745 ± 0.001°
• β: 86.152 ± 0.001°
• γ: 84.71 ± 0.001°
• Cell volume: 1511.32 ± 0.19 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No