Information card for entry 7245699

Structure parameters

• Formula: C12 H10 Br2 N6 S2 Zn
• Calculated formula: C12 H10 Br2 N6 S2 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: 27.4418 ± 0.0012 Å
• b: 4.7724 ± 0.0002 Å
• c: 12.8595 ± 0.0005 Å
• α: 90°
• β: 102.417 ± 0.002°
• γ: 90°
• Cell volume: 1644.73 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No