Crystallography Open Database

Information card for entry 4336681

Preview

Coordinates	4336681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H31 Fe0.5 O2
Calculated formula	C19 H31 Fe0.5 O2
Title of publication	Reductive Coupling of Azides Mediated by an Iron(II) Bis(alkoxide) Complex
Authors of publication	James A. Bellow; Philip D. Martin; Richard L. Lord; Stanislav Groysman
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12335 - 12337
a	21.0091 ± 0.0013 Å
b	36.694 ± 0.002 Å
c	9.3124 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7179 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336681.cif
102688	2014-02-21	cif/ Adding structures of 4336681 via cif-deposit CGI script.	4336681.cif