Crystallography Open Database

Information card for entry 7026037

Preview

Coordinates	7026037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H92 Li4 N4 P4
Calculated formula	C93 H92 Li4 N4 P4
SMILES	[C]1234P(c5ccccc5)(c5ccccc5)=[N](c5c(cc(cc5C)C)C)[Li]52[C]267=P(c8ccccc8)(c8ccccc8)[N](c8c(cc(cc8C)C)C)([Li]37)[Li]4[N](P=1(c1ccccc1)c1ccccc1)(c1c(cc(cc1C)C)C)[Li]6[N]5(=P2(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C.c1(ccccc1)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	13.512 ± 0.002 Å
b	20.928 ± 0.003 Å
c	27.872 ± 0.004 Å
α	90°
β	102.544 ± 0.003°
γ	90°
Cell volume	7693.5 ± 1.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.1566
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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.	7026037.cif
93391	2014-01-13	cif/ Adding structures of 7026037, 7026038 via cif-deposit CGI script.	7026037.cif