Crystallography Open Database

Information card for entry 4070538

Preview

Coordinates	4070538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 Fe I2 N2 O Si2 U
Calculated formula	C20 H34 Fe I2 N2 O Si2 U
SMILES	[U]12(I)(I)([Fe]3456789%10([cH]%11[cH]5[cH]6[cH]7[c]8%11N1[Si](C)(C)C)[cH]1[cH]9[cH]%10[cH]3[c]41N2[Si](C)(C)C)[O]1CCCC1
Title of publication	A Weak Interaction between Iron and Uranium in Uranium Alkyl Complexes Supported by Ferrocene Diamide Ligands
Authors of publication	Monreal, Marisa J.; Diaconescu, Paula L.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1702
a	15.1641 ± 0.0012 Å
b	17.782 ± 0.0015 Å
c	20.8018 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5609.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0395
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178594 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05.	4070538.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070538.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070538.cif
42547	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070537, 4070538, 4070539 via cif-deposit CGI script.	4070538.cif