Crystallography Open Database

Information card for entry 7204111

7204110 << 7204111 >> 7204112

Preview

Coordinates	7204111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H17 N2 O4 S16
Calculated formula	C28 H17 N2 O4 S16
Title of publication	Preparation of a Mott insulator based on a BEDT-TTF charge transfer complex of hydrogen cyananilate: α'-(BEDT-TTF)2HCNAL
Authors of publication	Zaman, Md. B.; Toyoda, J.; Morita, Y.; Nakamura, S.; Yamochi, H.; Saito, G.; Nishimura, K.; Yoneyama, N.; Enoki, T.; Nakasuji, K.
Journal of publication	Journal of Materials Chemistry
Year of publication	2001
Journal volume	11
Journal issue	9
Pages of publication	2211
a	7.606 ± 0.003 Å
b	6.773 ± 0.003 Å
c	34.531 ± 0.002 Å
α	90°
β	93.12 ± 0.01°
γ	90°
Cell volume	1776.2 ± 1.1 Å³
Cell temperature	296.2 K
Number of distinct elements	5
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	0.0378
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7204111.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204111.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204111.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204111.cif