Information card for entry 4343432

Structure parameters

• Formula: C36 H54 I2 N O5 U
• Calculated formula: C36 H54 I2 N O5 U
• SMILES: [U]12(I)(I)(Oc3c4N2c2c(O1)c(cc(c2Oc4c(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Spectroscopic and Structural Elucidation of Uranium Dioxophenoxazine Complexes.
• Authors of publication: Pattenaude, Scott A.; Kuehner, Christopher S.; Dorfner, Walter L.; Schelter, Eric J.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6520 - 6527
• a: 17.367 ± 0.0006 Å
• b: 17.7559 ± 0.0007 Å
• c: 17.2211 ± 0.0004 Å
• α: 90°
• β: 110.85 ± 0.002°
• γ: 90°
• Cell volume: 4962.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0817
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No