Crystallography Open Database

Information card for entry 8000511

Preview

Coordinates	8000511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Cl2 Cu N
Calculated formula	C16 H36 Cl2 Cu N
Title of publication	Water-Stable Zero-Dimensional (C4H9)4NCuCl2 Single Crystal with Highly Efficient Broadband Green Emission
Authors of publication	Peng, Hui; Wang, Xinxin; Tian, Ye; Dong, Tiantian; Xiao, Yonghao; Huang, Tao; Guo, Yongchang; Wang, Jianping; Zou, Bingsuo
Journal of publication	The Journal of Physical Chemistry Letters
Year of publication	2021
Pages of publication	6639 - 6647
a	13.0039 ± 0.0003 Å
b	9.7799 ± 0.0002 Å
c	15.7239 ± 0.0004 Å
α	90°
β	92.691 ± 0.002°
γ	90°
Cell volume	1997.51 ± 0.08 Å³
Cell temperature	170.01 ± 0.1 K
Ambient diffraction temperature	170.01 ± 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	0.024
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
267517 (current)	2021-07-14	cif/ Adding structures of 8000511 via cif-deposit CGI script.	8000511.cif