Crystallography Open Database

Information card for entry 1558878

Preview

Coordinates	1558878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 N4 O14 Zn2
Calculated formula	C36 H34 N4 O14 Zn2
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	9.6981 ± 0.0002 Å
b	16.1078 ± 0.0005 Å
c	11.5458 ± 0.0004 Å
α	90°
β	90.923 ± 0.003°
γ	90°
Cell volume	1803.39 ± 0.09 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	1558878.cif
255472	2020-08-20	cif/ Adding structures of 1558875, 1558876, 1558877, 1558878 via cif-deposit CGI script.	1558878.cif