Crystallography Open Database

Information card for entry 7251188

Preview

Coordinates	7251188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H18 Br4 Cd N2 O
Calculated formula	C11 H18 Br4 Cd N2 O
Title of publication	Zero-dimensional organic–inorganic hybrid cadmium halides with broadband blue light emission
Authors of publication	Li, Jia-Peng; Yuan, Li; Li, Ping; Wu, Ming; Xie, Yong-Tai; Lei, Xiao-Wu; Jing, Zhi-Hong; Gong, Zhongliang
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	45
Pages of publication	7348 - 7357
a	8.1969 ± 0.0003 Å
b	9.9913 ± 0.0003 Å
c	11.1769 ± 0.0003 Å
α	96.179 ± 0.002°
β	96.375 ± 0.002°
γ	104.189 ± 0.003°
Cell volume	873.27 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303710 (current)	2025-11-29	cif/ Updating files of 7251188, 7251189 Original log message: Adding full bibliography for 7251188--7251189.cif.	7251188.cif
303123	2025-11-01	cif/ Adding structures of 7251188, 7251189 via cif-deposit CGI script.	7251188.cif