Crystallography Open Database

Information card for entry 4341870

Preview

Coordinates	4341870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H11 Cu3 Ge N2 S4
Calculated formula	C5 H3 Cu3 Ge N2 S4
Title of publication	Polymorphic Graphene-like Cuprous Germanosulfides with a High Cu-to-Ge Ratio and Low Band Gap.
Authors of publication	Lin, Qipu; Zhang, Zhenyu; Bu, Xianhui; Feng, Pingyun
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141126065759003
a	6.4955 ± 0.0002 Å
b	18.4218 ± 0.0004 Å
c	20.1841 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2415.21 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341870.cif
128261	2014-12-06	cif/ Adding structures of 4341870 via cif-deposit CGI script.	4341870.cif