Information card for entry 7046210

Structure parameters

• Formula: C54.75 H41.5 Cl1.5 F6 Ir N4 O5 P
• Calculated formula: C54.75 H41.5 Cl1.5 F6 Ir N4 O5 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: 12.8631 ± 0.0003 Å
• b: 14.9901 ± 0.0004 Å
• c: 16.3368 ± 0.0003 Å
• α: 110.018 ± 0.0019°
• β: 99.1822 ± 0.0017°
• γ: 100.822 ± 0.0019°
• Cell volume: 2820.28 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No