Information card for entry 7009738

Structure parameters

• Formula: C6 H12 N4 O5 S2 Zn
• Calculated formula: C6 H12 N4 O5 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: 12.758 ± 0.003 Å
• b: 8.803 ± 0.001 Å
• c: 23.355 ± 0.004 Å
• α: 90°
• β: 98.07 ± 0.15°
• γ: 90°
• Cell volume: 2597 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7009737
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No