Crystallography Open Database

Information card for entry 4132896

Preview

Coordinates	4132896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H55 Co2 F9 N6 O14 S2
Calculated formula	C59 H55 Co2 F9 N6 O14 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	10.1791 ± 0.0003 Å
b	25.6037 ± 0.0008 Å
c	11.4781 ± 0.0004 Å
α	90°
β	90.4539 ± 0.0018°
γ	90°
Cell volume	2991.36 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.34 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
242770 (current)	2019-11-26	cif/ Adding structures of 4132896 via cif-deposit CGI script.	4132896.cif