Crystallography Open Database

Information card for entry 7226877

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Coordinates	7226877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Mg2 N4 O10
Calculated formula	C34 H26 Mg2 N4 O10
Title of publication	A Porous Magnesium Metal‒Organic Framework Showing Selective Adsorption and Separation of Nitrile Guest Molecules
Authors of publication	Xu, Jin; Yu, Yang; Li, Guanghua; Wang, Shanshan; Liu, Yongxin; Liu, Dan; Wang, Cheng
Journal of publication	RSC Adv.
Year of publication	2016
a	18.3066 ± 0.0019 Å
b	16.979 ± 0.0018 Å
c	13.8035 ± 0.0015 Å
α	90°
β	130.134 ± 0.001°
γ	90°
Cell volume	3280.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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