Crystallography Open Database

Information card for entry 7249738

Preview

Coordinates	7249738.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(BAPPz)Cd2Br8.2H2O
Formula	C5 H16 Br4 Cd N2 O
Calculated formula	C5 H16 Br4 Cd N2 O
Title of publication	Zero-dimensional cadmium halide with broad band yellow light emission for white light-emitting diodes
Authors of publication	Lin, Na; Hu, Zhao-Yang; Zhang, Xin-Yue; Zhang, Yu; Sun, Kai-Qi; Lei, Xiao-Wu; Jing, Zhihong; Chen, Zhi-Wei
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	7
Pages of publication	939 - 947
a	7.0976 ± 0.0004 Å
b	9.1098 ± 0.0005 Å
c	11.0003 ± 0.0006 Å
α	86.013 ± 0.002°
β	84.06 ± 0.002°
γ	82.39 ± 0.002°
Cell volume	700.08 ± 0.07 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0347
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
298208 (current)	2025-03-04	cif/ Updating files of 7249738 Original log message: Adding full bibliography for 7249738.cif.	7249738.cif
297055	2025-01-04	cif/ Adding structures of 7249738 via cif-deposit CGI script.	7249738.cif