Crystallography Open Database

Information card for entry 4321589

Preview

Coordinates	4321589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H70 N3 Na O4 Si6 U
Calculated formula	C26 H70 N3 Na O4 Si6 U
SMILES	[U](O[Na]([O]1CCCC1)[O]1CCCC1)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=O
Title of publication	A trigonal Bipyramidal Uranyl Amido Complex: Synthesis and Structural Characterization of [Na(THF)~2~][UO~2~(N(SiMe~3~)~2~)~3~]
Authors of publication	Carol J. Burns; David L. Clark; Robert J. Donohoe; Paul B. Duval; Brian L. Scott; C. Drew Tait
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5464 - 5468
a	22.945 ± 0.001 Å
b	15.283 ± 0.0007 Å
c	12.6787 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4446 ± 0.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
179318 (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 4/32/15.	4321589.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321589.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321589.cif
18962	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4321589 via cif-deposit CGI script.	4321589.cif