Crystallography Open Database

Information card for entry 7242351

Preview

Coordinates	7242351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 N6 O13 S5 Zn3
Calculated formula	C30 H42 N6 O13 S5 Zn3
Title of publication	A new Zn(ii) MOF assembled from metal‒organic cubes (MOCs) as a highly efficient adsorbent for cationic dyes
Authors of publication	Siddique, Armeen; I., Mantasha; Rawat, Poonam; Singh, Ram Niwas; Shahid, M.; Trivedi, Sweta; Gautam, Anshu; Zeeshan, Mohd
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	11
Pages of publication	2316 - 2325
a	12.3623 ± 0.001 Å
b	22.09 ± 0.002 Å
c	16.5066 ± 0.0013 Å
α	90°
β	107.211 ± 0.002°
γ	90°
Cell volume	4305.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2197
Weighted residual factors for all reflections included in the refinement	0.227
Goodness-of-fit parameter for all reflections included in the refinement	1.0389
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
263731 (current)	2021-04-05	cif/ Updating files of 7242351 Original log message: Adding full bibliography for 7242351.cif.	7242351.cif
262782	2021-03-06	cif/ Adding structures of 7242351 via cif-deposit CGI script.	7242351.cif