Information card for entry 7047333

Structure parameters

• Formula: C74 H90 Cl2 O15 P4 U
• Calculated formula: C74 H84 Cl2 O15 P4 U
• Title of publication: Controlling lability of uranyl(VI) through intramolecular π-π stacking
• Authors of publication: Mashita, Takanori; Tsushima, Satoru; Takao, Koichiro
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 17.9384 ± 0.0008 Å
• b: 21.0551 ± 0.001 Å
• c: 38.4913 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14538 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No