Information card for entry 7036761

Structure parameters

• Formula: Cl4 O7.61 Sb4 Zn3.61
• Calculated formula: Cl4 O7.61 Sb4 Zn3
• Title of publication: Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds.
• Authors of publication: Zimmermann, Iwan; Corgnet, Alexis; Johnsson, Mats; Lidin, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• a: 4.0634 ± 0.0006 Å
• b: 17.163 ± 0.002 Å
• c: 10.4699 ± 0.0013 Å
• α: 90°
• β: 91.024 ± 0.011°
• γ: 90°
• Cell volume: 730.06 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1 (a-1/4,b,c)
• Hall space group symbol: P 2yb (x+1/4,y,z)
• Residual factor for all reflections: 0.3403
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No