Crystallography Open Database

Information card for entry 7060137

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Coordinates	7060137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H36 N6 O2 S2 Zn
Calculated formula	C50 H36 N6 O2 S2 Zn
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	19.902 ± 0.005 Å
b	9.306 ± 0.002 Å
c	25.052 ± 0.005 Å
α	90°
β	110.827 ± 0.007°
γ	90°
Cell volume	4336.7 ± 1.7 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	0.8799
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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