Information card for entry 7707493

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: 12.274 ± 0.0002 Å
• b: 16.9938 ± 0.0003 Å
• c: 18.1515 ± 0.0005 Å
• α: 106.596 ± 0.002°
• β: 109.535 ± 0.002°
• γ: 103.187 ± 0.002°
• Cell volume: 3192.43 ± 0.15 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: 0.0622
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No