Crystallography Open Database

Information card for entry 7063225

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Coordinates	7063225.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zn-adc-tpt
Chemical name	Zn-adc-tpt
Formula	C66 H39 N6 O13 Zn3
Calculated formula	C66 H39 N6 O13 Zn3
Title of publication	A pacs-type metal-organic framework with high adsorption capacity for inverse C2H6/C2H4 separation
Authors of publication	Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yuechao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	16.737 ± 0.0002 Å
b	16.737 ± 0.0002 Å
c	15.8689 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	3849.75 ± 0.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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