Information card for entry 4337757

Structure parameters

• Formula: C29 H21 N7 O2 U
• Calculated formula: C29 H21 N7 O2 U
• SMILES: n12[U]3([n]4c(cccc4c4n3c3c(n4)cccc3)c1nc1ccccc21)(=O)([n]1ccccc1)(=O)[n]1ccccc1
• 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: 13.7287 ± 0.0017 Å
• b: 12.9878 ± 0.0016 Å
• c: 14.8038 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2639.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No