Crystallography Open Database

Information card for entry 4073489

Preview

Coordinates	4073489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Te2 U
Calculated formula	C32 H40 Te2 U
SMILES	[U]12345678([Te]c9ccccc9)([Te]c9ccccc9)([c]9([c]8([c]6([c]5([c]29C)C)C)C)C)[c]2([c]3([c]1([c]4([c]72C)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	10.1421 ± 0.0016 Å
b	15.659 ± 0.002 Å
c	19.378 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3077.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4073489.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073489.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073489.cif
46370	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073489 via cif-deposit CGI script.	4073489.cif