Information card for entry 7221528

Structure parameters

• Formula: C46 H26 Br2 N6 O12 U2
• Calculated formula: C46 H26 Br2 N6 O12 U2
• 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: 9.3226 ± 0.0009 Å
• b: 12.5095 ± 0.0012 Å
• c: 18.7848 ± 0.0018 Å
• α: 90°
• β: 94.335 ± 0.002°
• γ: 90°
• Cell volume: 2184.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No