Information card for entry 7245700

Structure parameters

• Formula: C6 H5 I2 N3 S Zn
• Calculated formula: C6 H5 I2 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: 14.5782 ± 0.0006 Å
• b: 32.4028 ± 0.0012 Å
• c: 7.0488 ± 0.0003 Å
• α: 90°
• β: 95.846 ± 0.002°
• γ: 90°
• Cell volume: 3312.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No