Information card for entry 7707490

Structure parameters

• Formula: C118.5 H75 Cl3 Ir3 N9 O6
• Calculated formula: C118.501 H75.002 Cl3.002 Ir3 N9 O6
• 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: 10.6678 ± 0.0002 Å
• b: 18.2211 ± 0.0004 Å
• c: 46.7278 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9082.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No