Information card for entry 4337755

Structure parameters

• Formula: C29 H22 Cl N7 O2 U
• Calculated formula: C29 H22 Cl N7 O2 U
• SMILES: [U]12(Cl)([n]3c(c4nc5ccccc5n24)cccc3c2[nH]c3c(cccc3)[n]12)(=O)(=O)[n]1ccccc1.n1ccccc1
• Title of publication: Toward Equatorial Planarity about Uranyl: Synthesis and Structure of Tridentate Nitrogen-Donor {UO2}(2+) Complexes.
• Authors of publication: Copping, Roy; Jeon, Byoungseon; Pemmaraju, C. Das; Wang, Shuao; Teat, Simon J.; Janousch, Markus; Tyliszczak, Tolek; Canning, Andrew; Grønbech-Jensen, Niels; Prendergast, David; Shuh, David K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2506 - 2515
• a: 14.4978 ± 0.001 Å
• b: 8.6973 ± 0.0006 Å
• c: 21.3949 ± 0.0014 Å
• α: 90°
• β: 101.319 ± 0.002°
• γ: 90°
• Cell volume: 2645.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No