Information card for entry 7221532

Structure parameters

• Formula: C58 H46 I2 N12 O14 U2
• Calculated formula: C58 H46 I2 N12 O14 U2
• SMILES: c12[n]([U]3([n]4ccccc14)(=O)(=O)OC(=O)c1ccc(c(I)c1)C(=O)O[U]1([n]4ccccc4c4[n]1c(nc(c1ccccn1)n4)c1ncccc1)(=O)(=O)OC(=O)c1ccc(C(=O)O3)c(I)c1)c(nc(c1ccccn1)n2)c1ncccc1.OC(C)C.OC(C)C
• 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: 10.534 ± 0.0008 Å
• b: 11.5475 ± 0.0008 Å
• c: 13.4109 ± 0.001 Å
• α: 68.203 ± 0.001°
• β: 77.871 ± 0.001°
• γ: 87.132 ± 0.001°
• Cell volume: 1480.17 ± 0.19 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: 0.0549
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1105
• 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