Crystallography Open Database

Information card for entry 4503886

Preview

Coordinates	4503886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H4 Cl F6 I4 Se4
Calculated formula	C26 H4 Cl F6 I4 Se4
SMILES	C1([Se]C=C[Se]1)=C1[Se]C=C[Se]1.Fc1c(c2c(c(c(c(c2F)C#CI)F)C#CI)F)c(c(c(c1C#CI)F)C#CI)F.[Cl-]
Title of publication	Supramolecular insulating networks sheathing conducting nanowires based on organic radical cations.
Authors of publication	Yamamoto, Hiroshi M.; Kosaka, Yosuke; Maeda, Ryoko; Yamaura, Jun-ichi; Nakao, Akiko; Nakamura, Toshikazu; Kato, Reizo
Journal of publication	ACS nano
Year of publication	2008
Journal volume	2
Journal issue	1
Pages of publication	143 - 155
a	20.159 ± 0.004 Å
b	4.073 ± 0.001 Å
c	20.481 ± 0.004 Å
α	90°
β	108.75 ± 0.01°
γ	90°
Cell volume	1592.4 ± 0.6 Å³
Cell temperature	293 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503886.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503886.cif
42061	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503886 via cif-deposit CGI script.	4503886.cif