Crystallography Open Database

Information card for entry 7019467

7019466 << 7019467 >> 7019468

Preview

Coordinates	7019467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13.5 Fe N4.5 O6.5
Calculated formula	C15 H13.5 Fe N4.5 O6.5
Title of publication	Conversion of {Fe(NO)(2)}(10) dinitrosyl iron to nitrato iron(iii) species by molecular oxygen.
Authors of publication	Skodje, Kelsey M.; Williard, Paul G.; Kim, Eunsuk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7849 - 7851
a	17.72 ± 0.03 Å
b	12.9 ± 0.02 Å
c	14.74 ± 0.03 Å
α	90°
β	94.4 ± 0.03°
γ	90°
Cell volume	3359 ± 10 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1172
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019467.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019467.cif
62877	2012-07-09	cif/ Adding structures of 7019467 via cif-deposit CGI script.	7019467.cif