Crystallography Open Database

Information card for entry 1550642

Preview

Coordinates	1550642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 As1.42 F12 Fe N10 P0.58
Calculated formula	C30 H48 As1.42 F12 Fe N10 P0.58
SMILES	[As](F)(F)(F)(F)(F)[F-].[As](F)(F)(F)(F)([F-])F.[As](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)([F-])F.[Fe]12345[n]6ccn(c6C=[N]1CCN(CC[N]3=Cc1[n]2ccn1CCCC)CC[N]5=Cc1[n]4ccn1CCCC)CCCC.[Fe]12345[n]6ccn(c6C=[N]1CCN(CC[N]3=Cc1[n]2ccn1CCCC)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	9.588 ± 0.003 Å
b	10.0652 ± 0.0019 Å
c	21.074 ± 0.004 Å
α	93.89 ± 0.017°
β	93.68 ± 0.02°
γ	100.469 ± 0.019°
Cell volume	1989.2 ± 0.8 Å³
Cell temperature	157 ± 0.1 K
Ambient diffraction temperature	157 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2789
Residual factor for significantly intense reflections	0.1247
Weighted residual factors for significantly intense reflections	0.2859
Weighted residual factors for all reflections included in the refinement	0.3885
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1550642.cif