Crystallography Open Database

Information card for entry 1573863

Preview

Coordinates	1573863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Fe N6 S2
Calculated formula	C42 H28 Fe N6 S2
Title of publication	Stabilizing low symmetry-based functions of materials at room temperature through isosymmetric electronic bistability
Authors of publication	Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Trzop, Elzbieta; Bataille, Thierry; Daro, Nathalie; Denux, Dominique; Guionneau, Philippe; Cailleau, Hervé; Chastanet, Guillaume; Le Guennic, Boris; Collet, Eric
Journal of publication	Materials Horizons
Year of publication	2025
a	14.2537 ± 0.0004 Å
b	14.2713 ± 0.0005 Å
c	17.4543 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3550.53 ± 0.19 Å³
Cell temperature	91 ± 5 K
Ambient diffraction temperature	91 ± 5 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297630 (current)	2025-02-07	cif/ Adding structures of 1573863, 1573864 via cif-deposit CGI script.	1573863.cif