Information card for entry 4310997

Structure parameters

• Formula: C50.5 H87.5 N6.5 Na O4 Si6 U
• Calculated formula: C50.5 H87.5 N6.5 Na O4 Si6 U
• Title of publication: Distorted Equatorial Coordination Environments and Weakening of UO Bonds in Uranyl Complexes Containing NCN and NPN Ligands
• Authors of publication: Mark J. Sarsfield; Madeleine Helliwell; James Raftery
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3170 - 3179
• a: 14.344 ± 0.006 Å
• b: 20.471 ± 0.008 Å
• c: 21.209 ± 0.008 Å
• α: 90°
• β: 99.386 ± 0.007°
• γ: 90°
• Cell volume: 6144 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No