Crystallography Open Database

Information card for entry 7118893

Preview

Coordinates	7118893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H75 Cl N4 Pu Si3
Calculated formula	C33 H75 Cl N4 Pu Si3
SMILES	[Pu]123(Cl)[N](CCN1[Si](C(C)C)(C(C)C)C(C)C)(CCN2[Si](C(C)C)(C(C)C)C(C)C)CCN3[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Neptunium and plutonium complexes with a sterically encumbered triamidoamine (TREN) scaffold.
Authors of publication	Brown, Jessie L.; Gaunt, Andrew J.; King, David M.; Liddle, Stephen T.; Reilly, Sean D.; Scott, Brian L.; Wooles, Ashley J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	31
Pages of publication	5428 - 5431
a	13.0136 ± 0.001 Å
b	15.5458 ± 0.0012 Å
c	20.433 ± 0.0015 Å
α	90°
β	90.546 ± 0.001°
γ	90°
Cell volume	4133.5 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
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	0.0374
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.904
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
182605 (current)	2016-05-06	cif/ Updating files of 7118893, 7118894 Original log message: Adding full bibliography for 7118893--7118894.cif.	7118893.cif
178152	2016-03-12	cif/ Adding structures of 7118893, 7118894 via cif-deposit CGI script.	7118893.cif