Crystallography Open Database

Information card for entry 4301593

Preview

Coordinates	4301593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Cl3 N O3 P2 U
Calculated formula	C30 H48 Cl3 N O P2 U
SMILES	[U]12([P](C(C)C)(C(C)C)c3cc(ccc3N2c2ccc(cc2[P]1(C(C)C)C(C)C)C)C)(Cl)(Cl)(Cl)[O]1CCCC1
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	11.9601 ± 0.0014 Å
b	14.2707 ± 0.0017 Å
c	24.803 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4233.4 ± 0.9 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	7
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	0.0526
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.231
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.	4301593.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301593.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301593.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301593.cif