Information card for entry 4344818

Structure parameters

• Formula: C42 H58 Eu N9 O13
• Calculated formula: C42 H58 Eu N9 O13
• SMILES: [Eu]123456([O]=n7c(O1)cccc7C(=O)NCC(C)(C)CNC(=O)c1cccc(n1=[O]3)O2)[O]=n1c(O5)cccc1C(=O)NCC(C)(C)CNC(=O)c1cccc(O6)n1=[O]4.O(CC)CC.[N+](C)(C)(C)C
• Title of publication: Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.
• Authors of publication: Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 114 - 124
• a: 13.3172 ± 0.0015 Å
• b: 13.3353 ± 0.0015 Å
• c: 14.6729 ± 0.0017 Å
• α: 99.965 ± 0.002°
• β: 116.208 ± 0.002°
• γ: 91.859 ± 0.002°
• Cell volume: 2285.1 ± 0.5 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No