Crystallography Open Database

Information card for entry 7239523

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Coordinates	7239523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H7 N O4 Zn
Calculated formula	C13 H7 N O4 Zn
Title of publication	Dynamic Zn-based metal‒organic framework: stepwise adsorption, hysteretic desorption and selective carbon dioxide uptake
Authors of publication	Liu, Bo; Li, Yuanpu; Hou, Lei; Yang, Guoping; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	Journal of Materials Chemistry A
Year of publication	2013
Journal volume	1
Journal issue	22
Pages of publication	6535
a	13.4641 ± 0.0002 Å
b	13.4641 ± 0.0002 Å
c	23.3751 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4237.48 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.2395
Weighted residual factors for all reflections included in the refinement	0.2402
Goodness-of-fit parameter for all reflections included in the refinement	1.226
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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