Crystallography Open Database

Information card for entry 4073490

Preview

Coordinates	4073490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 Te U
Calculated formula	C26 H34 Te U
SMILES	[U]123456789(c%10ccccc%10[Te]1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
Title of publication	Formation of (C5Me5)2U(EPh)Me, (C5Me5)2U(EPh)2, and (C5Me5)2U(η2-TeC6H4) from (C5Me5)2UMe2and PhEEPh (E = S, Se, Te)
Authors of publication	Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Heroux, Katie J.; Rheingold, Arnold L.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	17
Pages of publication	4287
a	8.4434 ± 0.0013 Å
b	16.064 ± 0.003 Å
c	17.729 ± 0.003 Å
α	90°
β	93.046 ± 0.002°
γ	90°
Cell volume	2401.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178623 (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 4/07/34.	4073490.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073490.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073490.cif
46371	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073490 via cif-deposit CGI script.	4073490.cif