Information card for entry 4333560

Structure parameters

• Formula: C17 H20 Eu N11 O10
• Calculated formula: C17 H20 Eu N11 O10
• SMILES: [Eu]12345([O]=N(=O)O1)([OH2])(ON(=[O]3)=O)(ON(=[O]2)=O)[n]1nc(C)c(nc1c1[n]4c(c2[n]5nc(c(n2)C)C)ccc1)C.N#CC
• 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: 8.4739 ± 0.0004 Å
• b: 12.6134 ± 0.0007 Å
• c: 12.7731 ± 0.0007 Å
• α: 92.781 ± 0.001°
• β: 102.882 ± 0.001°
• γ: 106.561 ± 0.001°
• Cell volume: 1266.47 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0207
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No