Crystallography Open Database

Information card for entry 1558875

Preview

Coordinates	1558875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.2 H35.32 N2.6 O16.6 Zn3
Calculated formula	C41.6 H27.92 N0.8 O16 Zn3
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	32.7998 ± 0.001 Å
b	9.7204 ± 0.0004 Å
c	18.3042 ± 0.0006 Å
α	90°
β	96.453 ± 0.003°
γ	90°
Cell volume	5798.9 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2023
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	1558875.cif
255472	2020-08-20	cif/ Adding structures of 1558875, 1558876, 1558877, 1558878 via cif-deposit CGI script.	1558875.cif