Crystallography Open Database

Information card for entry 1544810

Preview

Coordinates	1544810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 F6 Fe N24 O6 S2
Calculated formula	C14 H24 F6 Fe N24 O6 S2
Title of publication	Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.
Authors of publication	Urtizberea, A.; Roubeau, O.
Journal of publication	Chemical science
Year of publication	2017
Journal volume	8
Journal issue	3
Pages of publication	2290 - 2295
a	19.724 ± 0.004 Å
b	19.724 ± 0.004 Å
c	45.031 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	15172 ± 5 Å³
Cell temperature	84 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196371 (current)	2017-05-06	cif/ Updating files of 1544809, 1544810 Original log message: Adding full bibliography for 1544809--1544810.cif.	1544810.cif
193751	2017-03-05	cif/ Updating files of 1544809, 1544810 Original log message: Adding full bibliography for 1544809--1544810.cif.	1544810.cif
189253	2016-12-20	cif/ Adding structures of 1544809, 1544810 via cif-deposit CGI script.	1544810.cif