Crystallography Open Database

Information card for entry 7134263

Preview

Coordinates	7134263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.5 H5 Br Cu0.5 N
Calculated formula	C3.5 H5 Br Cu0.5 N
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	6.7527 ± 0.0005 Å
b	8.6037 ± 0.0009 Å
c	9.204 ± 0.0008 Å
α	90°
β	98.41 ± 0.009°
γ	90°
Cell volume	528.99 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7134263.cif
297744	2025-02-15	cif/ Adding structures of 7134263, 7134264 via cif-deposit CGI script.	7134263.cif