Information card for entry 7223483

Structure parameters

• Chemical name: UZAR-S12
• Formula: C24 H31 N15 O6 S3 Zn2
• Calculated formula: C24 H31 N15 O6 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: 11.6765 ± 0.0004 Å
• b: 10.3852 ± 0.0002 Å
• c: 15.0913 ± 0.0004 Å
• α: 90°
• β: 107.074 ± 0.003°
• γ: 90°
• Cell volume: 1749.36 ± 0.09 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: 0.0727
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No