Information card for entry 7226744

Structure parameters

• Formula: C14 H18 Cu3 O14 S2
• Calculated formula: C14 H18 Cu3 O14 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: 9.2709 ± 0.0007 Å
• b: 10.6339 ± 0.0017 Å
• c: 11.848 ± 0.002 Å
• α: 82.673 ± 0.016°
• β: 70.523 ± 0.014°
• γ: 69.251 ± 0.012°
• Cell volume: 1029.7 ± 0.3 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: 0.0388
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No