Crystallography Open Database

Information card for entry 7245698

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Coordinates	7245698.cif
Original paper (by DOI)	HTML

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	14.5768 ± 0.0005 Å
b	10.8025 ± 0.0004 Å
c	7.0493 ± 0.0002 Å
α	90°
β	95.84 ± 0.001°
γ	90°
Cell volume	1104.26 ± 0.06 Å³
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	0.0366
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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