Information card for entry 7110979

Structure parameters

• Formula: C17 H31 Cl2 N3 O8 S2 Zn
• Calculated formula: C17 H31 Cl2 N3 O8 S2 Zn
• Title of publication: Synthesis and structure of a nitrogen/sulfur-ligated zinc hydroxide complex
• Authors of publication: Berreau, Lisa M.; Allred, Russell A.; Makowska-Grzyska, Magdalena M.; Arif, Atta M.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 1423
• a: 16.0431 ± 0.0009 Å
• b: 9.2753 ± 0.0003 Å
• c: 19.5165 ± 0.0011 Å
• α: 90°
• β: 111.117°
• γ: 90°
• Cell volume: 2709.1 ± 0.2 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No