Information card for entry 2014466

Structure parameters

• Chemical name: {2,6-Bis[(dimethylamino)methyl]pyridine-κ^3^N}(2,2-methylenediphenolato- κ^2^O,O')dioxouranium(VI) acetone solvate
• Formula: C27 H35 N3 O5 U
• Calculated formula: C27 H35 N3 O5 U
• SMILES: [U]123(Oc4ccccc4Cc4c(O1)cccc4)(=O)(=O)[n]1c(cccc1C[N]2(C)C)C[N]3(C)C.O=C(C)C
• Title of publication: {2,6-Bis[(dimethylamino)methyl]pyridine-κ^3^<i>N</i>}(2,2-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI) acetone solvate
• Authors of publication: Masci, Bernardo; Thuéry, Pierre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m584 - m586
• a: 14.5787 ± 0.0006 Å
• b: 11.7099 ± 0.0003 Å
• c: 16.7701 ± 0.0008 Å
• α: 90°
• β: 109.691 ± 0.002°
• γ: 90°
• Cell volume: 2695.5 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes