Information card for entry 7025639

Structure parameters

• Formula: C58 H68 Cl4 N4 O2 P2 U
• Calculated formula: C56 H64 N4 O2 P2 U
• SMILES: c1(ccccc1)P(c1ccccc1)(=[O][U](=NC(C)(C)C)(n1c(ccc1C)C)(n1c(ccc1C)C)(=NC(C)(C)C)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 17.705 ± 0.002 Å
• b: 19.068 ± 0.003 Å
• c: 16.984 ± 0.002 Å
• α: 90°
• β: 110.531 ± 0.001°
• γ: 90°
• Cell volume: 5369.6 ± 1.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No