Information card for entry 7110978

Structure parameters

• Formula: C17 H32 Cl N3 O5 S2 Zn
• Calculated formula: C17 H32 Cl N3 O5 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: 11.583 ± 0.0003 Å
• b: 17.1392 ± 0.0006 Å
• c: 12.1278 ± 0.0005 Å
• α: 90°
• β: 98.964 ± 0.002°
• γ: 90°
• Cell volume: 2378.25 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No