Crystallography Open Database

Information card for entry 7115722

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Coordinates	7115722.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Beta-IRMOF-3-AMPh
Formula	C24 N6 O13 Zn4
Calculated formula	C24 N6 O13 Zn4
Title of publication	Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups
Authors of publication	Dau, Phuong V.; Cohen, Seth M.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2014
Journal volume	50
Journal issue	81
Pages of publication	12154 - 12157
a	25.7009 ± 0.0009 Å
b	25.7009 ± 0.0009 Å
c	25.7009 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	16976.4 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2656
Weighted residual factors for all reflections included in the refinement	0.2699
Goodness-of-fit parameter for all reflections included in the refinement	1.274
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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