Crystallography Open Database

Information card for entry 1568491

Preview

Coordinates	1568491.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Caesium manganese trithiocyanate
Formula	C6 Cs2 Mn2 N6 S6
Calculated formula	C6 Cs2 Mn2 N6 S6
Title of publication	Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.
Authors of publication	Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	13
Pages of publication	3531 - 3540
a	12.8159 ± 0.0003 Å
b	13.3648 ± 0.0003 Å
c	5.6774 ± 0.0001 Å
α	90°
β	95.999 ± 0.002°
γ	90°
Cell volume	967.11 ± 0.04 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 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	0.0633
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
283170 (current)	2023-05-05	cif/ Updating files of 1568490, 1568491, 1568492, 1568493, 1568494, 1568495, 1568496, 1568497 Original log message: Adding full bibliography for 1568490--1568497.cif.	1568491.cif
281075	2023-02-22	cif/ Adding structures of 1568490, 1568491, 1568492, 1568493, 1568494, 1568495, 1568496, 1568497 via cif-deposit CGI script.	1568491.cif