Information card for entry 7245697

Structure parameters

• Formula: C6 H5 Br2 N3 S Zn
• Calculated formula: C6 H5 Br2 N3 S Zn
• Title of publication: The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes
• Authors of publication: Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 5.971 ± 0.0005 Å
• b: 7.5328 ± 0.0007 Å
• c: 11.7015 ± 0.001 Å
• α: 79.032 ± 0.003°
• β: 78.762 ± 0.003°
• γ: 77.37 ± 0.003°
• Cell volume: 497.7 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No