Crystallography Open Database

Information card for entry 4114712

Preview

Coordinates	4114712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 Fe O2 P4
Calculated formula	C38 H52 Fe O2 P4
SMILES	[Fe]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)(/C(=C/C#Cc1ccc(OC)cc1)c1ccccc1)C#Cc1ccc(OC)cc1
Title of publication	Acetylide-Bridged Organometallic Oligomers via the Photochemical Metathesis of Methyl-Iron(II) Complexes
Authors of publication	Leslie D. Field; Anthony J. Turnbull; Peter Turner
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	3692 - 3702
a	12.767 ± 0.006 Å
b	16.259 ± 0.007 Å
c	9.811 ± 0.004 Å
α	104.373 ± 0.008°
β	103.391 ± 0.007°
γ	105.219 ± 0.007°
Cell volume	1805.1 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.058
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178918 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/47.	4114712.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114712.cif
68054	2012-10-15	cif/ Adding structures of 4114712 via cif-deposit CGI script.	4114712.cif