Crystallography Open Database

Information card for entry 7703323

Preview

Coordinates	7703323.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(DIM)Fe(NO)2
Formula	C22 H28 Fe N4 O2
Calculated formula	C22 H28 Fe N4 O2
Title of publication	A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.
Authors of publication	Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1681 - 1687
a	17.552 ± 0.0015 Å
b	14.0826 ± 0.0009 Å
c	18.308 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4525.3 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.0986
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
248943 (current)	2020-03-05	cif/ Updating files of 7703323, 7703324, 7703325 Original log message: Adding full bibliography for 7703323--7703325.cif.	7703323.cif
246995	2020-01-18	cif/ Adding structures of 7703323, 7703324, 7703325 via cif-deposit CGI script.	7703323.cif