Crystallography Open Database

Information card for entry 4310019

Preview

Coordinates	4310019.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tris(triethylsulfonium) hexaiodosamarate
Chemical name	Tris(triethylsulfonium) hexaiodosamarate
Formula	C18.2 H30 I6 S3 Sm
Calculated formula	C18 H45 I6 S3 Sm
Title of publication	Rare-Earth Iodides in Ionic Liquids: The Crystal Structure of [SEt3]3[LnI6] (Ln = Nd, Sm)
Authors of publication	Arash Babai; Anja-Verena Mudring
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8168 - 8169
a	19.3679 ± 0.001 Å
b	18.0707 ± 0.0007 Å
c	21.1647 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7407.5 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4310019.html