Information card for entry 1519687

Structure parameters

• Formula: C59 H41 Eu F18 O8 P2 Ru2
• Calculated formula: C59 H41 Eu F18 O8 P2 Ru2
• SMILES: [Eu]123([O]=P(c4ccccc4)([c]45[Ru]6789%10%11%12([cH]%13[cH]6[cH]7[cH]8[cH]9%13)[cH]4[cH]%12[cH]%11[cH]5%10)c4ccccc4)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([O]=P(c1ccccc1)([c]13[Ru]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]1[cH]%10[cH]9[cH]38)c1ccccc1)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F
• Title of publication: Enhanced electric dipole transition in lanthanide complex with organometallic ruthenocene units.
• Authors of publication: Hasegawa, Yasuchika; Sato, Nao; Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Kobayashi, Atsushi; Kato, Masako; Seki, Tomohiro; Ito, Hajime; Fushimi, Koji
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 20
• Pages of publication: 4825 - 4833
• a: 19.8829 ± 0.0006 Å
• b: 17.3599 ± 0.0006 Å
• c: 17.7114 ± 0.0007 Å
• α: 90 ± 0.0013°
• β: 93.9113 ± 0.0012°
• γ: 90 ± 0.003°
• Cell volume: 6099.1 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No