Crystallography Open Database

Information card for entry 4129301

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Coordinates	4129301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H122 O13 Zn4
Calculated formula	C75 H74 O13 Zn4
Title of publication	Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.
Authors of publication	Liu, Lujia; Telfer, Shane G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	11
Pages of publication	3901 - 3909
a	29.8614 ± 0.0005 Å
b	29.8614 ± 0.0005 Å
c	29.8614 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	26627.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	200
Hermann-Mauguin space group symbol	P m -3
Hall space group symbol	-P 2 2 3
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.248
Weighted residual factors for all reflections included in the refinement	0.2602
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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