Crystallography Open Database

Information card for entry 7051952

7051951 << 7051952 >> 7051953

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Coordinates	7051952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 Au2 Br4 Cl3 N2 O2 S12
Calculated formula	C24 H22 Au2 Br4 Cl3 N2 O2 S12
Title of publication	Square-lattice hybrid organic‒inorganic conducting layers in the τ phase of a TTF tertiary amide derivative
Authors of publication	Cauliez, Pascal; Mézière, Cécile; Auban-Senzier, Pascale; Clérac, Rodolphe; Fourmigué, Marc
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	9
Pages of publication	1561
a	37.1481 ± 0.0005 Å
b	11.0741 ± 0.0002 Å
c	10.5643 ± 0.0002 Å
α	90°
β	92.026 ± 0.001°
γ	90°
Cell volume	4343.24 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
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
180073 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/19.	7051952.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051952.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051952.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7051952.cif