Crystallography Open Database

Information card for entry 4349885

Preview

Coordinates	4349885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H44 N6 O6 Zn2
Calculated formula	C46.5 H44 N6 O6 Zn2
Title of publication	A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation
Authors of publication	He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	11
Pages of publication	2777
a	16.688 ± 0.0017 Å
b	22.617 ± 0.002 Å
c	23.535 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8882.9 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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