Crystallography Open Database

Information card for entry 1571273

Preview

Coordinates	1571273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H8 F6 O4 Zn
Calculated formula	C17 H8 F6 O4 Zn
Title of publication	Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.
Authors of publication	Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	16
Pages of publication	5964 - 5972
a	21.2057 ± 0.0007 Å
b	21.2057 ± 0.0007 Å
c	7.6878 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2993.9 ± 0.16 Å³
Cell temperature	249.99 ± 0.1 K
Ambient diffraction temperature	249.99 ± 0.1 K
Number of distinct elements	5
Space group number	180
Hermann-Mauguin space group symbol	P 62 2 2
Hall space group symbol	P 62 2 (0 0 4)
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291572 (current)	2024-05-05	cif/ Updating files of 1571271, 1571272, 1571273, 1571274, 1571275 Original log message: Adding full bibliography for 1571271--1571275.cif.	1571273.cif
290627	2024-03-26	cif/ Adding structures of 1571271, 1571272, 1571273, 1571274, 1571275 via cif-deposit CGI script.	1571273.cif