Crystallography Open Database

Information card for entry 4510163

Preview

Coordinates	4510163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 O4 S10
Calculated formula	C16 H12 O4 S10
Title of publication	Two-Dimensional Brickblock Arrangement in Bis-Fused Tetrathiafulvalene Semiconductors
Authors of publication	Terauchi, Takeshi; Sumi, Satoshi; Kobayashi, Yuka; Matsushita, Yoshitaka; Sato, Akira
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1412
a	8.7604 ± 0.001 Å
b	10.0725 ± 0.0012 Å
c	25.881 ± 0.003 Å
α	96.591 ± 0.003°
β	92.22 ± 0.003°
γ	90.392 ± 0.003°
Cell volume	2266.8 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	0.844
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510163.cif
106380	2014-03-15	cif/ Adding structures of 4510163 via cif-deposit CGI script.	4510163.cif