Crystallography Open Database

Information card for entry 4085929

Preview

Coordinates	4085929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 Fe0.33 O
Calculated formula	C15 H23 Fe0.333333 O
Title of publication	Reactivity Modes of an Iron Bis(alkoxide) Complex with Aryl Azides: Catalytic Nitrene Coupling vs Formation of Iron(III) Imido Dimers
Authors of publication	Bellow, James A.; Yousif, Maryam; Cabelof, Alyssa C.; Lord, Richard L.; Groysman, Stanislav
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	2917
a	12.2741 ± 0.0019 Å
b	12.2741 ± 0.0019 Å
c	14.995 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1956.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4085929.cif
152894	2015-08-05	cif/ Updating files of 4085929, 4085930, 4085931, 4085932, 4085933 Original log message: Adding full bibliography for 4085929--4085933.cif.	4085929.cif
137764	2015-06-04	cif/ Adding structures of 4085929, 4085930, 4085931, 4085932, 4085933 via cif-deposit CGI script.	4085929.cif