Information card for entry 7223484

Structure parameters

• Chemical name: Desolvated UZAR-S12
• Formula: C21 H24 N14 O5 S3 Zn2
• Calculated formula: C21 H22 N14 O5 S3 Zn2
• Title of publication: Synthesis, structure and characterization of a layered coordination polymer based on Zn(II) and 6-(methylmercapto)purine
• Authors of publication: Perea-Cachero, Adelaida; Seoane, Beatriz; Diosdado, Beatriz; Tellez, Carlos; Coronas, Joaquin
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.6757 ± 0.0008 Å
• b: 10.3908 ± 0.0004 Å
• c: 15.1045 ± 0.0007 Å
• α: 90°
• β: 107.129 ± 0.006°
• γ: 90°
• Cell volume: 1751.19 ± 0.17 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No