Crystallography Open Database

Information card for entry 7245900

Preview

Coordinates	7245900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Br4 N2 Zn
Calculated formula	C14 H20 Br4 N2 Zn
SMILES	Br[Zn](Br)([Br-])[Br-].c1cccc[n+]1CC.c1cccc[n+]1CC
Title of publication	Zero-dimensional organic–inorganic hybrid zinc halide with broadband yellow light emission
Authors of publication	Liu, Yu-Hang; Wang, Wen-Qi; Zhang, Bing-Lin; Wang, Yu-Jiao; Ren, Meng-Ping; Jing, Zhihong; Yue, Cheng-Yang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	3
Pages of publication	444 - 449
a	27.5957 ± 0.0004 Å
b	8.2299 ± 0.0001 Å
c	17.9221 ± 0.0003 Å
α	90°
β	96.375 ± 0.001°
γ	90°
Cell volume	4045.12 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0456
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281466 (current)	2023-03-04	cif/ Updating files of 7245900 Original log message: Adding full bibliography for 7245900.cif.	7245900.cif
279516	2022-11-24	cif/ Adding structures of 7245900 via cif-deposit CGI script.	7245900.cif