Information card for entry 1566131

Structure parameters

• Formula: C28 H18 Au2 Cu2 N12 O2
• Calculated formula: C28 H18 Au2 Cu2 N12 O2
• SMILES: C(#N)[Au](C#N)(C#N)C#N.c12c3[n](cccc3)[Cu]3([n]2cccc1)[OH][Cu]1([n]2c(c4cccc[n]14)cccc2)[OH]3.[Au](C#N)(C#N)(C#N)C#N
• Title of publication: Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions
• Authors of publication: Savard, Didier; Storr, Tim; Leznoff, Daniel B.
• Journal of publication: Canadian Journal of Chemistry
• Year of publication: 2014
• Journal volume: 92
• Journal issue: 10
• Pages of publication: 1021 - 1030
• a: 22.291 ± 0.002 Å
• b: 7.871 ± 0.0007 Å
• c: 20.6325 ± 0.0018 Å
• α: 90°
• β: 118.248 ± 0.004°
• γ: 90°
• Cell volume: 3188.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0611
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No