Information card for entry 7226740

Structure parameters

• Formula: C18 H30 Cu3 O16 S2
• Calculated formula: C18 H30 Cu3 O16 S2
• Title of publication: Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks
• Authors of publication: Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 44
• Pages of publication: 8614
• a: 5.7415 ± 0.0004 Å
• b: 8.794 ± 0.0006 Å
• c: 27.737 ± 0.002 Å
• α: 83.89 ± 0.004°
• β: 89.704 ± 0.005°
• γ: 80.177 ± 0.004°
• Cell volume: 1371.97 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0498
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No