Information card for entry 4311866

Structure parameters

• Formula: C36 H30 I2 O4 P2 U
• Calculated formula: C36 H30 I2 O4 P2 U
• SMILES: P(c1ccccc1)(c1ccccc1)(=[O][U](I)(I)(=O)(=O)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides
• Authors of publication: Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7120 - 7126
• a: 9.5643 ± 0.0001 Å
• b: 18.8968 ± 0.0003 Å
• c: 10.9042 ± 0.0002 Å
• α: 90°
• β: 115.213 ± 0.0005°
• γ: 90°
• Cell volume: 1783.01 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 202 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No