Crystallography Open Database

Information card for entry 4336682

Preview

Coordinates	4336682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H77 Fe N3 O2
Calculated formula	C45.5 H61 Fe N3 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	12.9324 ± 0.0006 Å
b	12.933 ± 0.0006 Å
c	14.1689 ± 0.0007 Å
α	93.36 ± 0.002°
β	93.147 ± 0.002°
γ	115.75 ± 0.002°
Cell volume	2122.29 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1488
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336682.cif
102689	2014-02-21	cif/ Adding structures of 4336682 via cif-deposit CGI script.	4336682.cif