Crystallography Open Database

Information card for entry 7209280

7209279 << 7209280 >> 7209281

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Coordinates	7209280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 N4 O2 Zn
Calculated formula	C6 H5 N4 O2 Zn
Title of publication	Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2
Authors of publication	Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2057
a	12.6672 ± 0.0006 Å
b	12.6672 ± 0.0006 Å
c	25.4399 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4082 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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