Crystallography Open Database

Information card for entry 7707265

Preview

Coordinates	7707265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu4 I6 O S8
Calculated formula	C12 H8 Cu4 I6 O S8
Title of publication	Tetrathiafulvalene-based double metal lead iodides: structures and electrical properties.
Authors of publication	Yin, Wen-Yu; Weng, Yi-Gang; Ren, Zhou-Hong; Zhang, Zhi-Ruo; Zhu, Qin-Yu; Dai, Jie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	23
Pages of publication	8120 - 8126
a	13.4453 ± 0.0016 Å
b	15.8728 ± 0.0019 Å
c	13.4449 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2869.3 ± 0.6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7707265.html