Information card for entry 7013394

Structure parameters

• Formula: C12 H18 N4 O5 S2 Zn
• Calculated formula: C12 H18 N4 O5 S2 Zn
• Title of publication: Zinc dicarboxylate polymers and dimers: thiourea substitution as a tool in supramolecular synthesis
• Authors of publication: Burke, Nichola J.; Burrows, Andrew D.; Donovan, Adele S.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 3840
• a: 10.383 ± 0.0003 Å
• b: 10.426 ± 0.0003 Å
• c: 16.587 ± 0.0004 Å
• α: 90°
• β: 94.198 ± 0.001°
• γ: 90°
• Cell volume: 1790.78 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No