Information card for entry 2020693

Structure parameters

• Chemical name: μ-Aqua-(hexafluorosilicato)bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) acetonitrile hemisolvate dihydrate
• Formula: C11 H19.5 Cu2 F6 N6.5 O3 S4 Si
• Calculated formula: C11 H19.5 Cu2 F6 N6.5 O3 S4 Si
• Title of publication: Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
• Authors of publication: Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 36 - 46
• a: 11.899 ± 0.004 Å
• b: 11.442 ± 0.004 Å
• c: 17.678 ± 0.005 Å
• α: 90°
• β: 102.04 ± 0.03°
• γ: 90°
• Cell volume: 2353.9 ± 1.3 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes