Information card for entry 4344441

Structure parameters

• Formula: C80 H80 Co2 N8 O20 U2
• Calculated formula: C80 H80 Co2 N8 O20 U2
• SMILES: C12CCCCCCC3=[O][U]45(=O)(=O)([O]=C(CCCCCCC6=[O][U]7(=O)(=O)([O]=1)(O2)(OC(=[O]7)CCCCCCC1=[O][Co]27([n]8cccc9c8c8[n]7cccc8cc9)([n]7cccc8c7c7[n]2cccc7cc8)O1)O6)O4)(O3)OC(=[O]5)CCCCCCC1=[O][Co]23([n]4cccc5c4c4[n]2cccc4cc5)([n]2cccc4c2c2[n]3cccc2cc4)O1
• Title of publication: A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.
• Authors of publication: Thuéry, Pierre; Harrowfield, Jack
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10539 - 10541
• a: 9.1209 ± 0.0005 Å
• b: 14.1336 ± 0.0008 Å
• c: 16.6835 ± 0.0009 Å
• α: 108.374 ± 0.003°
• β: 97.421 ± 0.003°
• γ: 104.217 ± 0.003°
• Cell volume: 1928.01 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No