Crystallography Open Database

Information card for entry 4349883

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Coordinates	4349883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 N6 O6 Zn2
Calculated formula	C48 H38 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	28.9 ± 0.02 Å
b	16.978 ± 0.014 Å
c	22.451 ± 0.018 Å
α	90°
β	127.455 ± 0.01°
γ	90°
Cell volume	8745 ± 12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 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	0.1285
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.2521
Weighted residual factors for all reflections included in the refinement	0.2899
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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