Crystallography Open Database

Information card for entry 4310713

Preview

Coordinates	4310713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O2 Se
Calculated formula	O2 Se
SMILES	[O][Se](=O)O[Se](=O)O[Se](=O)[O]
Title of publication	Experimental and Theoretical Investigations of Structural Trends for Selenium(IV) Imides and Oxides: X-ray Structure of Se3(NAd)2
Authors of publication	Tiina Maaninen; Heikki M. Tuononen; Gabriele Schatte; Reijo Suontamo; Jussi Valkonen; Risto Laitinen; Tristram Chivers
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2097 - 2104
a	8.335 ± 0.0002 Å
b	8.335 ± 0.0002 Å
c	5.06 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	351.529 ± 0.014 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	2
Space group number	135
Hermann-Mauguin space group symbol	P 42/m b c
Hall space group symbol	-P 4c 2ab
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
179146 (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 4/31/07.	4310713.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310713.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310713.cif
2201	2010-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4310713 via cif-deposit CGI script.	4310713.cif