Information card for entry 7057127

Structure parameters

• Formula: C15 H22 N6 O S2
• Calculated formula: C15 H22 N6 O S2
• Title of publication: A hydrazine-based thiocarbamide probe for colorimetric and turn-on fluorometric detection of PO43− and AsO33− in semi-aqueous medium
• Authors of publication: Purkait, Rakesh; Maity, Suvendu; Sinha, Chittaranjan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 6236
• a: 14.6287 ± 0.0009 Å
• b: 4.8391 ± 0.0003 Å
• c: 26.5329 ± 0.0017 Å
• α: 90°
• β: 96.637 ± 0.004°
• γ: 90°
• Cell volume: 1865.7 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• 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: 0.1811
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2472
• Weighted residual factors for all reflections included in the refinement: 0.2895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No