Information card for entry 7025637

Structure parameters

• Formula: C46 H73 N4 P2 U
• Calculated formula: C43 H66 N4 P2 U
• SMILES: [U]12([P](CC[P]1(C)C)(C)C)(=NC(C)(C)C)(=NC(C)(C)C)n1c(ccc1C(C)(C)c1ccc(n21)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: 11.649 ± 0.003 Å
• b: 17.676 ± 0.004 Å
• c: 22.136 ± 0.005 Å
• α: 90°
• β: 94.986 ± 0.003°
• γ: 90°
• Cell volume: 4540.7 ± 1.9 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.185
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No