Information card for entry 1519688

Structure parameters

• Formula: C49 H31 Eu F18 O8 P2 Ru
• Calculated formula: C49 H31 Eu F18 O8 P2 Ru
• SMILES: [Eu]1234(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=P(c1ccccc1)([c]15[Ru]6789%10%11%12([cH]([cH]6[cH]17)[cH]58)[cH]1[cH]9[c]%10(P(=[O]2)(c2ccccc2)c2ccccc2)[cH]%11[cH]%121)c1ccccc1)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O4)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: 13.2288 ± 0.0008 Å
• b: 15.9521 ± 0.0009 Å
• c: 25.7223 ± 0.0015 Å
• α: 89.205 ± 0.002°
• β: 78.7105 ± 0.0018°
• γ: 85.587 ± 0.002°
• Cell volume: 5307.3 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1206
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.2715
• Weighted residual factors for all reflections included in the refinement: 0.2779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.616
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No