Crystallography Open Database

Information card for entry 7110282

Preview

Coordinates	7110282.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BEDO-TSeF
Formula	C10 H8 O4 Se4
Calculated formula	C10 H8 O4 Se4
SMILES	[Se]1C(=C2[Se]C3=C([Se]2)OCCO3)[Se]C2=C1OCCO2
Title of publication	Synthesis, crystal structure and electrochemical properties of bis(ethylenedioxy)tetraselenafulvalene (BEDO-TSeF)
Authors of publication	Imakubo, Tatsuro; Shirahata, Takashi; Kibune, Megumi
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	14
Pages of publication	1590 - 1591
a	7.7348 ± 0.0004 Å
b	7.8387 ± 0.0005 Å
c	21.9084 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1328.32 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180216 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02.	7110282.cif
94342	2014-01-23	cif/ Adding structures of 7110282 via cif-deposit CGI script.	7110282.cif