Information card for entry 4123464

Structure parameters

• Formula: C37 H41 Eu K N9 O13
• Calculated formula: C37 H41 Eu K N9 O13
• SMILES: c12cccc3C(=O)NCCCN4C(=O)c5cccc6O[Eu]789(O2)([O]=n13)([O]=n56)Oc1cccc(C(=O)NCCCN(C(=O)c2cccc(n2=[O]8)O9)CCCC4)n1=[O]7.C(=O)N(C)C.[K+]
• Title of publication: New Insights into Structure and Luminescence of Eu(III) and Sm(III) Complexes of the 3,4,3-LI(1,2-HOPO) Ligand.
• Authors of publication: Daumann, Lena J.; Tatum, David S.; Snyder, Benjamin E. R.; Ni, Chengbao; Law, Ga-Lai; Solomon, Edward I.; Raymond, Kenneth N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 8
• Pages of publication: 2816 - 2819
• a: 10.2606 ± 0.0019 Å
• b: 10.903 ± 0.002 Å
• c: 20.575 ± 0.004 Å
• α: 83.409 ± 0.002°
• β: 82.055 ± 0.002°
• γ: 86.701 ± 0.003°
• Cell volume: 2262.6 ± 0.7 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No