Information card for entry 7707491

Structure parameters

• Formula: C40 H26 Cl2 Ir N3 O2
• Calculated formula: C40 H26 Cl2 Ir N3 O2
• Title of publication: Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.
• Authors of publication: Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 24
• Pages of publication: 8506 - 8511
• a: 10.4642 ± 0.0003 Å
• b: 10.5088 ± 0.0002 Å
• c: 15.5137 ± 0.0004 Å
• α: 85.981 ± 0.002°
• β: 76.654 ± 0.002°
• γ: 72.389 ± 0.002°
• Cell volume: 1582.11 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No