Crystallography Open Database

Information card for entry 4322192

Preview

Coordinates	4322192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H57 Br N4 Si3 U
Calculated formula	C24 H57 Br N4 Si3 U
SMILES	[U]123(N([Si](C)(C)C(C)(C)C)CC[N]3(CCN1[Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C)Br
Title of publication	Complexes of Triamidoamines with the Early Actinides. Synthetic Routes to Monomeric Compounds of Tetravalent Uranium and Thorium Containing Halide and Amide Ligands
Authors of publication	Paul Roussel; Nathaniel W. Alcock; Rita Boaretto; Andrew J. Kingsley; Ian J. Munslow; Christopher J. Sanders; Peter Scott
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3651 - 3656
a	29.923 ± 0.006 Å
b	23.872 ± 0.005 Å
c	20.837 ± 0.004 Å
α	90°
β	107.81 ± 0.03°
γ	90°
Cell volume	14171 ± 5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1547
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for all reflections	0.22
Weighted residual factors for significantly intense reflections	0.1867
Goodness-of-fit parameter for all reflections	1.125
Goodness-of-fit parameter for significantly intense reflections	1.335
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
179324 (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 4/32/21.	4322192.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4322192.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322192.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322192.cif
20451	2011-06-07	../uploads/cif-deposit/cod/cif Adding structures of 4322192 via cif-deposit CGI script.	4322192.cif