Information card for entry 2243617

Structure parameters

• Chemical name: [μ-1κ<i>S</i>:2κ<i>S</i>,2(η^2^)-<i>N</i>-(Prop-2-en-1-yl)piperidine-1-carbothioamide]μ-2κ<i>S</i>,2(η^2^):1κ<i>S</i>-<i>N</i>-(prop-2-en-1-yl)piperidine-1-carbothioamide]bis[(thiocyanato-κ<i>N</i>)copper(I)]
• Formula: C20 H32 Cu2 N6 S4
• Calculated formula: C20 H32 Cu2 N6 S4
• SMILES: C1CCCCN1C1=[S]2[Cu]3(N=C=S)([CH](CN1)=[CH2]3)[S]1=C(N3CCCCC3)NC[CH]3=[CH2][Cu]213N=C=S
• Title of publication: Crystal structure of bis[μ-<i>N</i>-(η^2^-prop-2-en-1-yl)piperidine-1-carbothioamide-κ^2^<i>S</i>:<i>S</i>]bis[(thiocyanato-κ<i>N</i>)copper(I)]
• Authors of publication: Tanaka, Takeshi; Kashiwagi, Yukiyasu; Nakagawa, Masami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1712 - 1715
• a: 13.9881 ± 0.0005 Å
• b: 9.822 ± 0.0004 Å
• c: 9.7446 ± 0.0004 Å
• α: 90°
• β: 91.391 ± 0.006°
• γ: 90°
• Cell volume: 1338.43 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes