Information card for entry 1566130

Structure parameters

• Formula: C28 H22 Au2 Cu2 N12 O4
• Calculated formula: C28 H22 Au2 Cu2 N12 O4
• SMILES: C(#N)[Au](C#N)(C#N)C#N.c1cccc2c3[n]([Cu]4([n]12)[OH][Cu]1([n]2c(c5cccc[n]15)cccc2)[OH]4)cccc3.O.C(#N)[Au](C#N)(C#N)C#N.O
• 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: 8.226 ± 0.0001 Å
• b: 10.139 ± 0.0001 Å
• c: 11.455 ± 0.0002 Å
• α: 105.971 ± 0.0008°
• β: 107.176 ± 0.0008°
• γ: 102.436 ± 0.0008°
• Cell volume: 830.53 ± 0.02 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0206
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No