Information card for entry 7221533

Structure parameters

• Formula: C54 H36 N12 O14 U2
• Calculated formula: C54 H36 N12 O14 U2
• SMILES: c1cccc2c3[n]([U]4([n]12)(=O)(=O)OC(=O)c1ccc(C(=O)O[U]2([n]5ccccc5c5[n]2c(nc(c2ccccn2)n5)c2ncccc2)(=O)(=O)OC(=O)c2ccc(C(=O)O4)c(c2)C)c(c1)C)c(nc(n3)c1ccccn1)c1ncccc1.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: 7.9974 ± 0.0013 Å
• b: 12.0617 ± 0.0019 Å
• c: 14.965 ± 0.002 Å
• α: 106.548 ± 0.002°
• β: 101.601 ± 0.002°
• γ: 101.362 ± 0.002°
• Cell volume: 1304.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No