Information card for entry 4347953

Structure parameters

• Formula: C20 H26 Cl2 N6 O2 U
• Calculated formula: C20 H20 Cl2 N6 O2 U
• Title of publication: Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.
• Authors of publication: Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5693 - 5701
• a: 16.085 ± 0.007 Å
• b: 10.152 ± 0.004 Å
• c: 14.291 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2333.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No