Information card for entry 4343434

Structure parameters

• Formula: C51 H81 N O5 U
• Calculated formula: C51 H81 N O5 U
• SMILES: [U]123456(Oc7c8N2c2c(O1)c(cc(c2Oc8c(cc7C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.CCCCC
• 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: 14.4325 ± 0.0002 Å
• b: 26.4478 ± 0.0004 Å
• c: 14.9142 ± 0.0002 Å
• α: 90°
• β: 118.858 ± 0.001°
• γ: 90°
• Cell volume: 4985.92 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No