Information card for entry 7209518

Structure parameters

• Formula: C10 H10 Cl5 N3 O5 U
• Calculated formula: C10 H10 Cl5 N3 O5 U
• SMILES: [U]1(Cl)(Cl)(=O)(=O)ON(=[O]1)=O.[Cl-].Clc1cc[nH+]cc1.Clc1cc[nH+]cc1
• Title of publication: Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability
• Authors of publication: Andrews, Michael B.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3082
• a: 6.819 ± 0.005 Å
• b: 10.781 ± 0.005 Å
• c: 14.252 ± 0.005 Å
• α: 72.89 ± 0.005°
• β: 80.394 ± 0.005°
• γ: 74.456 ± 0.005°
• Cell volume: 960.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No