Information card for entry 1566129

Structure parameters

• Formula: C22 H18 Cu2 N6 O3 S2
• Calculated formula: C22 H18 Cu2 N6 O3 S2
• 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: 8.1569 ± 0.0009 Å
• b: 9.6888 ± 0.001 Å
• c: 16.5639 ± 0.0016 Å
• α: 75.686 ± 0.004°
• β: 83.677 ± 0.004°
• γ: 73.445 ± 0.004°
• Cell volume: 1214.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No