Crystallography Open Database

Information card for entry 7705902

Preview

Coordinates	7705902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cu N6
Calculated formula	C18 H12 Cu N6
Title of publication	Encapsulated anion-dominated photocatalytic and adsorption performances for organic dye degradation and oxoanion pollutant capture over cationic Cu(i)-organic framework semiconductors.
Authors of publication	Zhao, Yan; Li, Lei; Ding, Bo; Wang, Xiu-Guang; Liu, Zheng-Yu; Yang, En-Cui; Zhao, Xiao-Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	1
Pages of publication	197 - 207
a	25.6309 ± 0.0019 Å
b	3.625 ± 0.0003 Å
c	21.0696 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1957.6 ± 0.3 Å³
Cell temperature	117.4 ± 0.5 K
Ambient diffraction temperature	117.4 ± 0.5 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
261638 (current)	2021-02-05	cif/ Updating files of 7705902, 7705903 Original log message: Adding full bibliography for 7705902--7705903.cif.	7705902.cif
259704	2020-12-09	cif/ Adding structures of 7705902, 7705903 via cif-deposit CGI script.	7705902.cif