Information card for entry 7218309

Structure parameters

• Formula: C16 H26 Cu3 O16 S2
• Calculated formula: C16 H20 Cu3 O16 S2
• Title of publication: Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network
• Authors of publication: Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 10385
• a: 9.523 ± 0.005 Å
• b: 14.45 ± 0.006 Å
• c: 20.41 ± 0.009 Å
• α: 71.148 ± 0.014°
• β: 79.669 ± 0.017°
• γ: 76.292 ± 0.015°
• Cell volume: 2566 ± 2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No