Information card for entry 7025636

Structure parameters

• Formula: C37 H50 N4 U
• Calculated formula: C37 H50 N4 U
• SMILES: [U]123456789(=NC(C)(C)C)(=NC(C)(C)C)N%10[C]2(=[CH]3[CH]4=[C]5%10C(C)(C)[C]26=[CH]7[CH]8=[C]9(N12)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Exploring the coordination modes of pyrrolyl ligands in bis(imido) uranium(VI) complexes.
• Authors of publication: Swartz, 2nd, Douglas L; Spencer, Liam P.; Scott, Brian L.; Odom, Aaron L.; Boncella, James M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6841 - 6846
• a: 11.1415 ± 0.0009 Å
• b: 12.5846 ± 0.0011 Å
• c: 12.7942 ± 0.0011 Å
• α: 87.301 ± 0.001°
• β: 80.768 ± 0.001°
• γ: 73.315 ± 0.001°
• Cell volume: 1696.1 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No