Crystallography Open Database

Information card for entry 7251849

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Coordinates	7251849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Br2 N4 O2 Zn
Calculated formula	C14 H16 Br2 N4 O2 Zn
Title of publication	Halogen-Modulated Zinc-Based 0D Hybrids for High-Efficiency Blue Light Emission
Authors of publication	Zhang, Cheng-Fang; Zhong, Wen-He; Ma, Peng-Cheng; Zhao, Jia-Jia; Cheng, Ting; Chen, Lizhuang
Journal of publication	CrystEngComm
Year of publication	2026
a	23.863 ± 0.005 Å
b	4.8456 ± 0.001 Å
c	18.997 ± 0.005 Å
α	90°
β	127.809 ± 0.013°
γ	90°
Cell volume	1735.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0323
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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