Crystallography Open Database

Information card for entry 4302476

Preview

Coordinates	4302476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H65 Fe N4
Calculated formula	C57.5 H65 Fe N4
Title of publication	Synthesis of Bis(imino)pyridine Iron Amide and Ammonia Compounds from an N-H Transfer Agent
Authors of publication	Amanda C. Bowman; Suzanne C. Bart; Frank W. Heinemann; Karsten Meyer; Paul J. Chirik
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	5587 - 5589
a	11.4441 ± 0.0009 Å
b	13.5081 ± 0.0018 Å
c	16.9763 ± 0.0016 Å
α	71.594 ± 0.009°
β	76.764 ± 0.01°
γ	78.316 ± 0.008°
Cell volume	2399.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4302476.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302476.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302476.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302476.cif