Crystallography Open Database

Information card for entry 7706344

Preview

Coordinates	7706344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Br Cu N6 S
Calculated formula	C16 H12 Br Cu N6 S
Title of publication	Facilely controllable synthesis of copper-benzothiadiazole complexes <i>via</i> solvothermal reactions: exploring the customized synthetic approach by experiments.
Authors of publication	Hu, Chen; Zhao, Yingnan; Han, Xiao; Song, Jiaqi; Ding, Jie; Hou, Hongwei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	5
Pages of publication	1816 - 1823
a	7.8338 ± 0.0003 Å
b	17.9378 ± 0.0006 Å
c	11.5775 ± 0.0004 Å
α	90°
β	93.238 ± 0.001°
γ	90°
Cell volume	1624.29 ± 0.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
262610 (current)	2021-03-05	cif/ Updating files of 7706342, 7706343, 7706344, 7706345, 7706346 Original log message: Adding full bibliography for 7706342--7706346.cif.	7706344.cif
260594	2021-01-07	cif/ Adding structures of 7706342, 7706343, 7706344, 7706345, 7706346 via cif-deposit CGI script.	7706344.cif