Crystallography Open Database

Information card for entry 4308494

Preview

Coordinates	4308494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H80 Na3 Nd O13 S12
Calculated formula	C46 H68 Na3 Nd O13 S12
SMILES	[Nd]123(SC4SCCSC=4S1)(SC1=C(S2)SCCS1)(SC1=C(S3)SCCS1)[O]1CCCC1.[Na+].[Na+].[Na+].O1CCOCCOCCOCCOCCOCC1.O1CCOCCOCCOCCOCCOCC1.O1CCCC1
Title of publication	Tris(dithiolene) Complexes of Neodymium and Cerium: Mononuclear Species, Chains, and Honeycomb Networks
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	584 - 593
a	10.1439 ± 0.0008 Å
b	18.4818 ± 0.0011 Å
c	19.2305 ± 0.0015 Å
α	118.159 ± 0.004°
β	92.238 ± 0.004°
γ	94.281 ± 0.004°
Cell volume	3158.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1084
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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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