Crystallography Open Database

Information card for entry 7014588

Preview

Coordinates	7014588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi6 Cl28 Ga10 S18
Calculated formula	Bi6 Cl28 Ga10 S18
Title of publication	[Bi3GaS5]2[Ga3Cl10]2[GaCl4]2·S8 containing heterocubane-type [Bi3GaS5]2+, star-shaped [Ga3Cl10]-, monomeric [GaCl4]- and crown-like S8.
Authors of publication	Freudenmann, Dominic; Feldmann, Claus
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	2
Pages of publication	452 - 456
a	10.404 ± 0.002 Å
b	10.427 ± 0.002 Å
c	18.634 ± 0.004 Å
α	89.54 ± 0.03°
β	76.65 ± 0.03°
γ	60.28 ± 0.03°
Cell volume	1694.5 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0695
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
179849 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/45.	7014588.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014588.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014588.cif
14796	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014588 via cif-deposit CGI script.	7014588.cif