Crystallography Open Database

Information card for entry 1550636

Preview

Coordinates	1550636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 As2 F12 Fe N10
Calculated formula	C30 H46 As2 F12 Fe N10
SMILES	[As](F)(F)(F)([F-])(F)F.[As](F)(F)(F)(F)([F-])F.[Fe]12345[n]6ccn(c6C=[N]1CCN(CC[N]3=Cc1[n]2ccn1CC[C]C)CC[N]5=Cc1[n]4ccn1CCCC)CCCC
Title of publication	Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material
Authors of publication	Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A
Journal of publication	Chemical Science
Year of publication	2019
a	9.4189 ± 0.0008 Å
b	10.3506 ± 0.0009 Å
c	22.444 ± 0.0018 Å
α	91.428 ± 0.007°
β	100.894 ± 0.007°
γ	99.001 ± 0.007°
Cell volume	2118.9 ± 0.3 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213799 (current)	2019-02-23	cif/ Adding structures of 1550636, 1550637, 1550638, 1550639, 1550640, 1550641, 1550642 via cif-deposit CGI script.	1550636.cif