Information card for entry 4347956

Structure parameters

• Formula: C24 H32 F6 N4 O9.5 S2 U
• Calculated formula: C24 H28.25 F6 N4 O9.5 S2 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: 12.329 ± 0.012 Å
• b: 16.376 ± 0.016 Å
• c: 16.606 ± 0.015 Å
• α: 90.59 ± 0.02°
• β: 100.232 ± 0.019°
• γ: 106.377 ± 0.019°
• Cell volume: 3159 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2134
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No