Crystallography Open Database

Information card for entry 4301594

Preview

Coordinates	4301594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H88 Cl2 N2 O P4 U
Calculated formula	C56 H88 Cl2 N2 O P4 U
SMILES	[U]12([P](C(C)C)(C(C)C)c5cc(ccc5N1c1c(P(C(C)C)C(C)C)cc(cc1)C)C)([P](C(C)C)(C(C)C)c1cc(ccc1N2c1ccc(cc1P(C(C)C)C(C)C)C)C)(Cl)Cl.O1CCCC1
Title of publication	What a Difference a 5f Element Makes: Trivalent and Tetravalent Uranium Halide Complexes Supported by One and Two Bis[2-(diisopropylphosphino)-4-methylphenyl]amido (PNP) Ligands
Authors of publication	Thibault Cantat; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2114 - 2127
a	13.6641 ± 0.0018 Å
b	14.126 ± 0.0018 Å
c	17.874 ± 0.002 Å
α	91.607 ± 0.001°
β	110.087 ± 0.001°
γ	113.515 ± 0.001°
Cell volume	2916 ± 0.6 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	0.872
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
179053 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/15.	4301594.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301594.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301594.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301594.cif