Crystallography Open Database

Information card for entry 7241905

7241904 << 7241905 >> 7241906

Preview

Coordinates	7241905.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-manganese]
Formula	C13 H12 Fe Mn N10 O
Calculated formula	C13 H12 Fe Mn N10 O
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	8.4311 ± 0.001 Å
b	14.9364 ± 0.0015 Å
c	14.6337 ± 0.0016 Å
α	90°
β	97.228 ± 0.011°
γ	90°
Cell volume	1828.2 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	0.813
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.	7241905.cif
260026	2020-12-20	cif/ Adding structures of 7241902, 7241903, 7241904, 7241905, 7241906 via cif-deposit CGI script.	7241905.cif