Crystallography Open Database

Information card for entry 4114713

Preview

Coordinates	4114713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H44 Fe O P4
Calculated formula	C29 H44 Fe O P4
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	9.108 ± 0.002 Å
b	18.09 ± 0.003 Å
c	9.526 ± 0.001 Å
α	90°
β	94.42 ± 0.01°
γ	90°
Cell volume	1564.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1371
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.1962
Goodness-of-fit parameter for all reflections included in the refinement	1.498
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4114713.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114713.cif
68055	2012-10-15	cif/ Adding structures of 4114713 via cif-deposit CGI script.	4114713.cif