Information card for entry 7127161

Structure parameters

• Common name: 2-PIT
• Chemical name: 2 pyrene imine thiol
• Formula: C23 H13 N S
• Calculated formula: C23 H13 N S
• SMILES: c12ccccc1nc(c1ccc3ccc4cccc5c4c3c1cc5)s2
• Title of publication: Dual emitting Ag₃₅ nanocluster protected by 2-pyrene imine thiol.
• Authors of publication: Jana, Arijit; Chakraborty, Papri; Dar, Wakeel Ahmed; Chandra, Sourov; Khatun, Esma; Kannan, M. P.; Ras, Robin H. A.; Pradeep, Thalappil
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 83
• Pages of publication: 12550 - 12553
• a: 21.4278 ± 0.0011 Å
• b: 4.9469 ± 0.0002 Å
• c: 15.5164 ± 0.0008 Å
• α: 90°
• β: 107.158 ± 0.002°
• γ: 90°
• Cell volume: 1571.56 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No