Crystallography Open Database

Information card for entry 4115416

Preview

Coordinates	4115416.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe5(O)(OEt)13
Formula	C26 H65 Fe5 O14
Calculated formula	C26 H65 Fe5 O14
SMILES	[Fe]123([O]456[Fe]7([O]1CC)(OCC)[O]([Fe]14(OCC)[O]([Fe]5(OCC)([O]2CC)[O]([Fe]6([O]3CC)([O]7CC)([O]1CC)OCC)CC)CC)CC)OCC
Title of publication	Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides
Authors of publication	Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	339 - 340
a	11.7472 ± 0.001 Å
b	12.1672 ± 0.0011 Å
c	15.8347 ± 0.0014 Å
α	99.2118 ± 0.0015°
β	101.262 ± 0.0015°
γ	109.507 ± 0.0014°
Cell volume	2029.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0907
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
178925 (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 4/11/54.	4115416.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115416.cif
68931	2012-11-27	cif/ Adding structures of 4115416 via cif-deposit CGI script.	4115416.cif