Information card for entry 7104180

Structure parameters

• Formula: C38 H52 N Se U
• Calculated formula: C38 H52 N Se U
• SMILES: [U]12345678([Se]c9ccccc9)(=Nc9c(cccc9C(C)C)C(C)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Selenate and tellurate complexes of pentavalent uranium.
• Authors of publication: Graves, Christopher R; Scott, Brian L; Morris, David E; Kiplinger, Jaqueline L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 776 - 778
• a: 12.0348 ± 0.001 Å
• b: 18.1721 ± 0.0016 Å
• c: 15.686 ± 0.0014 Å
• α: 90°
• β: 99.115 ± 0.001°
• γ: 90°
• Cell volume: 3387.2 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No