Crystallography Open Database

Information card for entry 4132877

Preview

Coordinates	4132877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.06 H79.76 N9 O12.34 S3
Calculated formula	C57.06 H79.76 N9 O12.34 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	22.955 ± 0.005 Å
b	7.4557 ± 0.0016 Å
c	24.079 ± 0.005 Å
α	90°
β	117.366 ± 0.003°
γ	90°
Cell volume	3659.8 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0996
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2126
Weighted residual factors for all reflections included in the refinement	0.2289
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242753 (current)	2019-11-26	cif/ Adding structures of 4132865, 4132866, 4132867, 4132868, 4132869, 4132870, 4132871, 4132872, 4132873, 4132874, 4132875, 4132876, 4132877, 4132878, 4132879, 4132880 via cif-deposit CGI script.	4132877.cif