Information card for entry 7046211

Structure parameters

• Formula: C43 H34 Cl2 F6 Ir N4 P
• Calculated formula: C43 H34 Cl2 F6 Ir N4 P
• Title of publication: A rare example of a compact heteroleptic cyclometalated iridium(iii) complex demonstrating well-separated dual emission.
• Authors of publication: Gitlina, Anastasia Yu; Ivonina, Maria V.; Sizov, Vladimir V.; Starova, Galina L.; Pushkarev, Anatoly P.; Volyniuk, Dmytro; Tunik, Sergey P.; Koshevoy, Igor O.; Grachova, Elena V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 7578 - 7586
• a: 9.7209 ± 0.0004 Å
• b: 11.7561 ± 0.0004 Å
• c: 18.1069 ± 0.0007 Å
• α: 92.843 ± 0.003°
• β: 96.989 ± 0.004°
• γ: 109.734 ± 0.004°
• Cell volume: 1924.13 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1132
• 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