Crystallography Open Database

Information card for entry 1544071

Preview

Coordinates	1544071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 Ag2 Fe N7
Calculated formula	C10 H7 Ag2 Fe N7
Title of publication	High temperature spin crossover in [Fe(pyrazine){Ag(CN)2}2] and its solvate
Authors of publication	Gural'skiy, Il'ya A.; Shylin, Sergii I.; Golub, Bohdan O.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	11
Pages of publication	9012
a	6.734 ± 0.004 Å
b	12.536 ± 0.006 Å
c	9.12 ± 0.005 Å
α	90°
β	118.622 ± 0.01°
γ	90°
Cell volume	675.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
188272 (current)	2016-11-08	cif/ Updating files of 1544071 Original log message: Adding full bibliography for 1544071.cif.	1544071.cif
186536	2016-09-13	cif/ Adding structures of 1544071 via cif-deposit CGI script.	1544071.cif