Information card for entry 7013395

Structure parameters

• Formula: C14 H20 N4 O4 S2 Zn
• Calculated formula: C14 H20 N4 O4 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: 6.579 ± 0.0002 Å
• b: 13.343 ± 0.0005 Å
• c: 21.206 ± 0.0009 Å
• α: 90°
• β: 97.927 ± 0.002°
• γ: 90°
• Cell volume: 1843.75 ± 0.12 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: 0.1011
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No