Crystallography Open Database

Information card for entry 4327286

Preview

Coordinates	4327286.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HOLYY11
Formula	C35 H53 Fe N2
Calculated formula	C35 H53 Fe N2
Title of publication	Binding Affinity of Alkynes and Alkenes to Low-Coordinate Iron
Authors of publication	Ying Yu; Jeremy M. Smith; Christine J. Flaschenriem; Patrick L. Holland
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	5742 - 5751
a	34.8961 ± 0.001 Å
b	11.0547 ± 0.0003 Å
c	20.7338 ± 0.0006 Å
α	90°
β	122.58°
γ	90°
Cell volume	6739.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1285
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179375 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/72.	4327286.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327286.cif
61002	2012-06-20	cif/ Adding structures of 4327286 via cif-deposit CGI script.	4327286.cif