Crystallography Open Database

Information card for entry 7134264

Preview

Coordinates	7134264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Br N2 Zn0.5
Calculated formula	C6 H8 Br N2 Zn0.5
Title of publication	Unveiling the photophysical mechanisms in low-dimensional Zn/Cu-based metal halides.
Authors of publication	Yang, Chuanyao; Zheng, Jia; Xu, Chang; Xiao, Chong; Chang, Yuanyuan; Zhou, Lei; Gong, Xiangnan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	22
Pages of publication	4379 - 4382
a	7.0944 ± 0.0003 Å
b	12.2277 ± 0.0004 Å
c	18.1167 ± 0.0007 Å
α	90°
β	92.812 ± 0.004°
γ	90°
Cell volume	1569.7 ± 0.1 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
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	0.0688
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298752 (current)	2025-04-05	cif/ Updating files of 7134263, 7134264 Original log message: Adding full bibliography for 7134263--7134264.cif.	7134264.cif
297744	2025-02-15	cif/ Adding structures of 7134263, 7134264 via cif-deposit CGI script.	7134264.cif