Crystallography Open Database

Information card for entry 7707263

Preview

Coordinates	7707263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu2 I6 Pb S8
Calculated formula	C12 H8 Cu2 I6 Pb 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	15.931 ± 0.004 Å
b	13.531 ± 0.003 Å
c	13.491 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2908.2 ± 1.2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	66
Hermann-Mauguin space group symbol	C c c m
Hall space group symbol	-C 2 2c
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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