Crystallography Open Database

Information card for entry 4132893

Preview

Coordinates	4132893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.32 H39 Cl5.89 Co2 F6 N6 O12 S2
Calculated formula	C59.322 H39 Cl5.89 Co2 F6 N6 O12 S2
Title of publication	Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.
Authors of publication	Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	39
Pages of publication	12545 - 12552
a	10.326 ± 0.0005 Å
b	25.5247 ± 0.0011 Å
c	11.4411 ± 0.0005 Å
α	90°
β	91.155 ± 0.002°
γ	90°
Cell volume	3014.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.9 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242766 (current)	2019-11-26	cif/ Adding structures of 4132893 via cif-deposit CGI script.	4132893.cif