Crystallography Open Database

Information card for entry 4319950

4319949 << 4319950 >> 4319951

Preview

Coordinates	4319950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl N2 S Se2
Calculated formula	Cl N2 S Se2
SMILES	[Se]1N=S=N[Se]1.[Cl-]
Title of publication	Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2
Authors of publication	Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3539 - 3543
a	8.5721 ± 0.0007 Å
b	7.8336 ± 0.0006 Å
c	15.2277 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1022.55 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0348
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.269
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
179279 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99.	4319950.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319950.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319950.cif
16755	2011-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4319950 via cif-deposit CGI script.	4319950.cif