Crystallography Open Database

Information card for entry 1561260

Preview

Coordinates	1561260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 Fe2 N6 O3
Calculated formula	C5 Fe2 N6 O3
Title of publication	Hydrothermal recrystallization of transition metal nitroprussides. Formation of the most stable phases
Authors of publication	Echevarría, F.; Reguera, L.; González M, M.; Galicia, J.; Ávila, M.; Reguera, E.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	566 - 572
a	13.96736 ± 0.00012 Å
b	7.43408 ± 0.00006 Å
c	10.46303 ± 0.00007 Å
α	90°
β	90°
γ	90°
Cell volume	1086.42 ± 0.015 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.85
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288309 (current)	2023-12-14	cif/1/56/12/ Removed data item '_atom_site_aniso_label' which had a single incorrect value 'powder sample' from entries 1561259-1561260. Marked entries as being resolved using powder diffraction.	1561260.cif
263322	2021-03-25	cif/ Adding structures of 1561259, 1561260 via cif-deposit CGI script.	1561260.cif