Crystallography Open Database

Information card for entry 7056726

Preview

Coordinates	7056726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18.5 Co N5.5 O6
Calculated formula	C21 H13 Co N5 O4
Title of publication	Two novel porous MOFs with square-shaped cavities for removing toxic dyes: adsorption or degradation?
Authors of publication	Xu, Zhouqing; Li, Huijun; Li, Qingqing; He, Yaling; Tang, Qingjie
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	24
Pages of publication	15204 - 15209
a	10.0361 ± 0.0016 Å
b	10.3968 ± 0.0017 Å
c	11.9591 ± 0.0019 Å
α	81.792 ± 0.003°
β	67.635 ± 0.003°
γ	77.335 ± 0.003°
Cell volume	1123.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056726.cif
202540	2017-11-03	cif/ Adding structures of 7056726, 7056727 via cif-deposit CGI script.	7056726.cif