Crystallography Open Database

Information card for entry 1558877

Preview

Coordinates	1558877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H260 N20 O76 Zn8
Calculated formula	C212 H220 N20 O56 Zn8
Title of publication	Inclusion of viologen cations leads to switchable metal-organic frameworks.
Authors of publication	Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.
Journal of publication	Faraday discussions
Year of publication	2021
Journal volume	225
Pages of publication	414 - 430
a	36.4926 ± 0.0013 Å
b	14.6058 ± 0.0004 Å
c	45.4204 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	24209.2 ± 1.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.2252
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
261709 (current)	2021-02-05	cif/ Updating files of 1558875, 1558876, 1558877, 1558878 Original log message: Adding full bibliography for 1558875--1558878.cif.	1558877.cif
255472	2020-08-20	cif/ Adding structures of 1558875, 1558876, 1558877, 1558878 via cif-deposit CGI script.	1558877.cif