Crystallography Open Database

Information card for entry 7705903

Preview

Coordinates	7705903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl Cu N6 O6
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	25.868 ± 0.006 Å
b	3.756 ± 0.001 Å
c	20.661 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2007.4 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0934
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7705903.cif
259704	2020-12-09	cif/ Adding structures of 7705902, 7705903 via cif-deposit CGI script.	7705903.cif