Information card for entry 7009736

Structure parameters

• Formula: C10 H12 N4 O4 S2 Zn
• Calculated formula: C10 H12 N4 O4 S2 Zn
• Title of publication: The influence of hydrogen bonding on the structure of zinc co-ordination polymers †
• Authors of publication: Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3845
• a: 8.307 ± 0.002 Å
• b: 10.919 ± 0.002 Å
• c: 15.89 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1441.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.689
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No