Information card for entry 4310998

Structure parameters

• Formula: C60 H108 N8 Na2 O7 Si8 U2
• Calculated formula: C60 H108 N8 Na2 O7 Si8 U2
• SMILES: [U]1234(=[O][Na]5([O]=[U]678(=[O][Na]([O]=1)([O]256)[O]1CCCC1)([N]([Si](C)(C)C)=C(N7[Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)C(=[N]8[Si](C)(C)C)c1ccccc1)[O]1CCCC1)([N]([Si](C)(C)C)=C(N3[Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)C(=[N]4[Si](C)(C)C)c1ccccc1
• 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: 31.242 ± 0.009 Å
• b: 37.329 ± 0.009 Å
• c: 24.428 ± 0.006 Å
• α: 90°
• β: 106.561 ± 0.006°
• γ: 90°
• Cell volume: 27307 ± 12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1269
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No