Information card for entry 7223277

Structure parameters

• Formula: C24 H44 Cu3 I8 N8 S2
• Calculated formula: C24 H44 Cu3 I8 N8 S2
• Title of publication: Chemistry of heterocyclic-2-thiones: in situ generated 1-(4,5-dihydro-3-alkyl-imidazolidin-2-yl)-3-alkyl-imidazolidine-2-thione and triiodide form novel mixed valent CuI-II /CuII complexes
• Authors of publication: Lobana, Tarlok Singh; Sultana, Razia; Castineiras, Alfonso
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.8636 ± 0.0004 Å
• b: 9.7353 ± 0.0005 Å
• c: 15.5128 ± 0.0008 Å
• α: 76.049 ± 0.002°
• β: 84.558 ± 0.002°
• γ: 69.582 ± 0.002°
• Cell volume: 1080.06 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No