Information card for entry 7046212

Structure parameters

• Formula: C41 H30 Cl2 F6 Ir N4 P
• Calculated formula: C41 H30 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: 18.8332 ± 0.0003 Å
• b: 37.4125 ± 0.0005 Å
• c: 10.8478 ± 0.00014 Å
• α: 90°
• β: 98.0557 ± 0.0013°
• γ: 90°
• Cell volume: 7567.91 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No