Information card for entry 7229549

Structure parameters

• Formula: C30 H17 N4 O7 S Zn
• Calculated formula: C32.614 H18 N4 O7 S Zn
• Title of publication: Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds
• Authors of publication: Singh, Neetu; Singh, Udai P.; Butcher, Ray J.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.1841 ± 0.0019 Å
• b: 21.484 ± 0.004 Å
• c: 10.4012 ± 0.0017 Å
• α: 90°
• β: 100.3 ± 0.006°
• γ: 90°
• Cell volume: 2239.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No