Crystallography Open Database

Information card for entry 4132868

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Coordinates	4132868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.3 H72.35 N9 O11.81 S3
Calculated formula	C52.29 H72.34 N9 O11.81 S3
Title of publication	Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.
Authors of publication	Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	40
Pages of publication	12915 - 12921
a	23.536 ± 0.016 Å
b	7.566 ± 0.005 Å
c	23.941 ± 0.017 Å
α	90°
β	118.697 ± 0.013°
γ	90°
Cell volume	3740 ± 4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1721
Residual factor for significantly intense reflections	0.1524
Weighted residual factors for significantly intense reflections	0.3773
Weighted residual factors for all reflections included in the refinement	0.4011
Goodness-of-fit parameter for all reflections included in the refinement	1.524
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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