Information card for entry 4333561

Structure parameters

• Formula: C30 H30 Eu2 N20 O18
• Calculated formula: C30 H30 Eu2 N20 O18
• SMILES: c12cccc3[n]1[Eu]1456([n]7nc(c(nc37)C)C)(ON(=[O]1)=O)([O]1[N](=[O][Eu]37891([n]1c(c%10cccc([n]3%10)c3[n]7nc(c(n3)C)C)nc(c(C)n1)C)(ON(=[O]8)=O)([O]4N(=[O]6)=O)ON(=[O]9)=O)=O)(ON(=[O]5)=O)[n]1c2nc(c(C)n1)C
• Title of publication: Trivalent Actinide and Lanthanide Complexation of 5,6-Dialkyl-2,6-bis(1,2,4-triazin-3-yl)pyridine (RBTP; R = H, Me, Et) Derivatives: A Combined Experimental and First-Principles Study
• Authors of publication: Arunasis Bhattacharyya; Eunja Kim; Philippe F. Weck; Paul M. Forster; Kenneth R. Czerwinski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 761 - 776
• a: 13.1674 ± 0.0008 Å
• b: 10.8952 ± 0.0006 Å
• c: 15.3985 ± 0.0009 Å
• α: 90°
• β: 106.633 ± 0.001°
• γ: 90°
• Cell volume: 2116.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No