Information card for entry 7057257

Structure parameters

• Formula: C36 H45 N3 O9 Sn3
• Calculated formula: C36 H45 N3 O9 Sn3
• Title of publication: Exploration of fluorescent organotin compounds of α-amino acid Schiff bases for the detection of organophosphorous chemical warfare agents: quantification of diethylchlorophosphate
• Authors of publication: Singh, Navjot; Kumar, Keshav; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Jasinski, Jerry P.; Butcher, Ray J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8756
• a: 16.5113 ± 0.0003 Å
• b: 9.2479 ± 0.0002 Å
• c: 25.9781 ± 0.0005 Å
• α: 90°
• β: 98.514 ± 0.002°
• γ: 90°
• Cell volume: 3923.01 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No