Crystallography Open Database

Information card for entry 7132968

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Coordinates	7132968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N12 O7 S Zn3
Calculated formula	C18 H14 N12 O7 S Zn3
Title of publication	Pure separation of acetylene based on a sulfonic acid and amino group functionalized Zn-MOF.
Authors of publication	Deng, Yu-Xin; Yang, Guo-Ping; Wang, Yao-Yu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
a	14.0795 ± 0.0007 Å
b	9.851 ± 0.0005 Å
c	25.9541 ± 0.0012 Å
α	90°
β	95.909 ± 0.002°
γ	90°
Cell volume	3580.6 ± 0.3 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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