Information card for entry 7060138

Structure parameters

• Formula: C52 H40 N6 O2 S2 Zn
• Calculated formula: C52 H40 N6 O2 S2 Zn
• SMILES: c1ccccc1Sc1ccccc1/N=N/c1ccc2c(c1)C=[N]([Zn]1(O2)Oc2ccc(cc2C=[N]1c1ccc(cc1)C)/N=N/c1ccccc1Sc1ccccc1)c1ccc(cc1)C
• Title of publication: Solid state emissive azo-Schiff base ligands and their Zn(ii) complexes: acidochromism and photoswitching behaviour
• Authors of publication: Kumar, Yogesh; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Singh, Nikhil Kumar; Pandey, Daya Shankar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 199 - 207
• a: 10.8345 ± 0.0018 Å
• b: 14.111 ± 0.002 Å
• c: 16.085 ± 0.003 Å
• α: 109.261 ± 0.006°
• β: 107.479 ± 0.005°
• γ: 91.516 ± 0.006°
• Cell volume: 2192.7 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No