Information card for entry 7221530

Structure parameters

• Formula: C52 H30 Br2 N12 O14 U2
• Calculated formula: C52 H30 Br2 N12 O14 U2
• SMILES: c12[n]3[U]4([n]5c(c3nc(c3ncccc3)n2)cccc5)(=O)(=O)(OC(=O)c2cc(Br)c(cc2)C(=O)O[U]23([n]5ccccc5c5[n]2c(nc(c2ncccc2)n5)c2[n]3cccc2)(=O)(=O)OC(=O)c2cc(Br)c(C(=O)O4)cc2)[n]2ccccc12.O.O
• Title of publication: Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands
• Authors of publication: Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 32
• Pages of publication: 6236
• a: 8.0743 ± 0.0009 Å
• b: 11.9715 ± 0.0014 Å
• c: 15.0411 ± 0.0017 Å
• α: 106.612 ± 0.001°
• β: 102.208 ± 0.001°
• γ: 100.75 ± 0.001°
• Cell volume: 1313.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0823
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No