Information card for entry 4107371

Structure parameters

• Formula: C69 H49 Eu N2 O10 S2
• Calculated formula: C69 H49 Eu N2 O10 S2
• SMILES: [Eu]1234([n]5c6c(cc(c7scc8OCCOc78)c5)ccc5cc(c[n]1c65)c1scc5OCCOc15)([O]=C(c1ccccc1)C=C(O2)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1
• Title of publication: Photoluminescent Europium-Containing Inner Sphere Conducting Metallopolymer
• Authors of publication: Xiao-Yan Chen; Xiaoping Yang; Bradley J. Holliday
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1546 - 1547
• a: 19.447 ± 0.004 Å
• b: 16.846 ± 0.003 Å
• c: 18.629 ± 0.004 Å
• α: 90°
• β: 110.58 ± 0.03°
• γ: 90°
• Cell volume: 5713 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.1145
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No