Crystallography Open Database

Information card for entry 7703324

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Structure parameters

Chemical name	(DIM)Fe(NO3)2(MeCN)
Formula	C28 H37 Fe N7 O6
Calculated formula	C28 H37 Fe N7 O6
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	17.0228 ± 0.0004 Å
b	11.6142 ± 0.0004 Å
c	15.9579 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3154.98 ± 0.16 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0664
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

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