Crystallography Open Database

Information card for entry 7026038

Preview

Coordinates	7026038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H116 N4 P4 U
Calculated formula	C86 H84 N4 P4 U
SMILES	[U]1234(C(=P(c5ccccc5)(c5ccccc5)N1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)C(=P(c1ccccc1)(c1ccccc1)N3c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]4c1c(cc(cc1C)C)C
Title of publication	Synthesis and structure of [U{C(PPh2NMes)2}2] (Mes = 2,4,6-Me3C6H2): A homoleptic uranium bis(carbene) complex with two formal UC double bonds
Authors of publication	Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
Journal of publication	Dalton Transactions
Year of publication	2010
Journal volume	39
Journal issue	21
Pages of publication	5074
a	14.839 ± 0.002 Å
b	15.329 ± 0.002 Å
c	21.677 ± 0.003 Å
α	70.551 ± 0.002°
β	75.047 ± 0.003°
γ	77.427 ± 0.003°
Cell volume	4444.8 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179966 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/60.	7026038.cif
93391	2014-01-13	cif/ Adding structures of 7026037, 7026038 via cif-deposit CGI script.	7026038.cif