Information card for entry 7042989

Structure parameters

• Formula: C36 H28 Au N11 O8 U2
• Calculated formula: C36 H28 Au N11 O8 U2
• SMILES: C([Au]C#N)#[N].c1cccc2c3cccc([n]3[U]3([n]12)(=O)(=O)ON(=[O][U]1([n]2ccccc2c2cccc([n]12)c1ncccc1)(O3)(=O)=O)=O)c1ncccc1.N#CC.N#CC
• Title of publication: Dicyanoaurate-based heterobimetallic uranyl coordination polymers.
• Authors of publication: Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• a: 12.2358 ± 0.0007 Å
• b: 24.0833 ± 0.0018 Å
• c: 14.6019 ± 0.0009 Å
• α: 90°
• β: 112.146 ± 0.005°
• γ: 90°
• Cell volume: 3985.4 ± 0.5 ų
• Cell temperature: 149.97 K
• Ambient diffraction temperature: 149.97 K
• Number of distinct elements: 6
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No