Crystallography Open Database

Information card for entry 7047681

Preview

Coordinates	7047681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cu2 I2 S2
Calculated formula	C16 H14 Cu2 I2 S2
Title of publication	A new 3-D coordination polymer as a precursor for CuI-based thermoelectric composites.
Authors of publication	Bai, Shi-Qiang; Wong, Ivy Hoi Ka; Zhang, Nan; Lin Ke, Karen; Lin, Ming; Young, David James; Hor, T. S. Andy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	45
Pages of publication	16292 - 16298
a	7.3864 ± 0.0003 Å
b	12.2916 ± 0.0004 Å
c	12.5264 ± 0.0004 Å
α	115.972 ± 0.001°
β	106.724 ± 0.001°
γ	94.804 ± 0.001°
Cell volume	949.67 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
229958 (current)	2019-11-17	cif/ Updating files of 7047681 Original log message: Adding full bibliography for 7047681.cif.	7047681.cif
211263	2018-10-02	cif/ Adding structures of 7047681 via cif-deposit CGI script.	7047681.cif