Crystallography Open Database

Information card for entry 4308487

Preview

Coordinates	4308487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H126 N6 Na4 O18 S24 U2
Calculated formula	C90 H126 N6 Na4 O18 S24 U2
SMILES	[U]123(SC4=C(S1)SCCS4)(SC1=C(S2)SCCS1)SC1=C(S3)SCCS1.[n]1(ccccc1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[n]1ccccc1.[Na+].[U]123(SC4=C(S1)SCCS4)(SC1=C(S2)SCCS1)SC1=C(S3)SCCS1.[n]1(ccccc1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[n]1ccccc1.[n]1(ccccc1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[n]1ccccc1
Title of publication	Homoleptic Tris(dithiolene) and Tetrakis(dithiolene) Complexes of Uranium(IV)
Authors of publication	Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	594 - 600
a	10.4359 ± 0.0005 Å
b	16.2555 ± 0.0008 Å
c	18.9962 ± 0.001 Å
α	101.53 ± 0.004°
β	104.101 ± 0.005°
γ	102.537 ± 0.004°
Cell volume	2940.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1229
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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