Crystallography Open Database

Information card for entry 7241904

7241903 << 7241904 >> 7241905

Preview

Coordinates	7241904.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-zinc]
Formula	C13 H12 Fe N10 O Zn
Calculated formula	C13 H12 Fe N10 O Zn
Title of publication	A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations
Authors of publication	Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	5
Pages of publication	1158 - 1171
a	14.8493 ± 0.0011 Å
b	14.498 ± 0.001 Å
c	16.5461 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3562.1 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	0.762
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
262575 (current)	2021-03-05	cif/ Updating files of 7241902, 7241903, 7241904, 7241905, 7241906 Original log message: Adding full bibliography for 7241902--7241906.cif.	7241904.cif
260026	2020-12-20	cif/ Adding structures of 7241902, 7241903, 7241904, 7241905, 7241906 via cif-deposit CGI script.	7241904.cif