Information card for entry 7040504

Structure parameters

• Formula: C80 H118 I4 O11 U2
• Calculated formula: C80 H118 I4 O11 U2
• SMILES: [U]1(I)(I)(Oc2c(cc(cc2C(C)(C)C)C)C(c2cc(ccc2)C2c3c(O[U](I)(I)(Oc4c2cc(cc4C(C)(C)C)C)([O]2CCCC2)[O]2CCCC2)c(cc(c3)C)C(C)(C)C)c2c(O1)c(cc(c2)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Dinuclear uranium complexation and manipulation using robust tetraaryloxides.
• Authors of publication: Wells, Jordann A. L.; Seymour, Megan L.; Suvova, Markéta; Arnold, Polly L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 16026 - 16032
• a: 15.8678 ± 0.0006 Å
• b: 16.2835 ± 0.0007 Å
• c: 21.4232 ± 0.0007 Å
• α: 68.627 ± 0.004°
• β: 71.761 ± 0.003°
• γ: 62.142 ± 0.004°
• Cell volume: 4488.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No