Information card for entry 4333559

Structure parameters

• Formula: C26 H20 Eu2 N22 O18
• Calculated formula: C26 H20 Eu2 N22 O18
• SMILES: c12cccc3c4[n](nccn4)[Eu]4567([n]13)(ON(=[O]4)=O)([O]1N(=O)=[O][Eu]34891([n]1c(c%10cccc(c%11[n]3nccn%11)[n]4%10)nccn1)(ON(=[O]8)=O)([O]7N(=O)=[O]5)ON(=[O]9)=O)(ON(=[O]6)=O)[n]1c2nccn1.C(#N)C.C(#N)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: 9.5679 ± 0.0005 Å
• b: 11.3093 ± 0.0006 Å
• c: 11.4263 ± 0.0006 Å
• α: 61.365 ± 0.001°
• β: 73.848 ± 0.001°
• γ: 73.137 ± 0.001°
• Cell volume: 1024.16 ± 0.09 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: 0.0174
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0387
• 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