Information card for entry 7248227

Structure parameters

• Chemical name: copper(II)8-[mu-tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(dimethylacetamide/water), dimethylacetamide solvate
• Formula: C193.92 H194.32 Cu8 N10.48 O44.48 S32
• Calculated formula: C193.92 H194.32 Cu8 N10.48 O44.48 S32
• Title of publication: Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene
• Authors of publication: Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 2072 - 2077
• a: 22.1127 ± 0.0006 Å
• b: 23.7586 ± 0.0006 Å
• c: 23.85 ± 0.0005 Å
• α: 95.728 ± 0.002°
• β: 94.436 ± 0.002°
• γ: 102.342 ± 0.002°
• Cell volume: 12116.4 ± 0.5 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.1269
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.2782
• Weighted residual factors for all reflections included in the refinement: 0.3175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No