Information card for entry 7703635

Structure parameters

• Formula: C83 H49 Eu F18 O8 P2
• Calculated formula: C83 H49 Eu F18 O8 P2
• SMILES: [Eu]123([O]=P(c4c5ccccc5c5c(c6c(c7c(cc6)cccc7)cc5)c4)(c4ccccc4)c4ccccc4)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([O]=P(c1c2ccccc2c2ccc4c(ccc5c4cccc5)c2c1)(c1ccccc1)c1ccccc1)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: First demonstration of the π-f orbital interaction depending on the coordination geometry in Eu(iii) luminophores.
• Authors of publication: Kitagawa, Yuichi; Kumagai, Marina; Ferreira da Rosa, P. P.; Fushimi, Koji; Hasegawa, Yasuchika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3098 - 3101
• a: 23.3898 ± 0.0004 Å
• b: 14.3443 ± 0.0002 Å
• c: 25.8557 ± 0.0004 Å
• α: 90°
• β: 107.5 ± 0.002°
• γ: 90°
• Cell volume: 8273.4 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No