Information card for entry 7060406

Structure parameters

• Formula: C12 H20 Mo12 N8 O40 Si
• Calculated formula: C12 H20 Mo12 N8 O40 Si
• Title of publication: Polyoxometalate based ionic crystal: dual applications in selective colorimetric sensor for hydrated ZnCl2 and antimicrobial activity
• Authors of publication: Sabarinathan, C.; Karthikeyan, M.; Murugappan, R. M.; Anthony, Savarimuthu Philip; Shankar, Bhaskaran; Parthasarathy, Kannabiran; Arumuganathan, T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5576 - 5588
• a: 13.5335 ± 0.0011 Å
• b: 16.5838 ± 0.0014 Å
• c: 19.9675 ± 0.0017 Å
• α: 90°
• β: 90.12 ± 0.001°
• γ: 90°
• Cell volume: 4481.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No