Crystallography Open Database

Information card for entry 7058392

Preview

Coordinates	7058392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Co1.5 N9 O14
Calculated formula	C52 H42 Co1.5 N9 O14
Title of publication	A metal‒organic framework constructed by a viologen-derived ligand: photochromism and discernible detection of volatile amine vapors
Authors of publication	Dong, Zhen-Peng; Zhao, Jiao-Jiao; Liu, Peng-Yu; Liu, Zhi-Liang; Wang, Yan-Qin
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	23
Pages of publication	9032
a	12.6315 ± 0.001 Å
b	13.3343 ± 0.0011 Å
c	16.1671 ± 0.0013 Å
α	73.647 ± 0.007°
β	69.4 ± 0.008°
γ	87.385 ± 0.007°
Cell volume	2441.5 ± 0.4 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	0.0945
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1855
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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