Information card for entry 7218310

Structure parameters

• Formula: C16 H26 Cu3 O16 S2
• Calculated formula: C16 H16 Cu2.5 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: 5.712 ± 0.004 Å
• b: 8.741 ± 0.006 Å
• c: 27.1 ± 0.016 Å
• α: 97.596 ± 0.009°
• β: 91.516 ± 0.006°
• γ: 100.966 ± 0.01°
• Cell volume: 1314.8 ± 1.5 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 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 significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No