Crystallography Open Database

Information card for entry 4345523

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Coordinates	4345523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Hg2.83 K Mo12 S14
Calculated formula	Hg2.824 K Mo12 S14
Title of publication	Synthesis, Structure, and Electrical Properties of the Mo12 Cluster Sulfide Hg∼2.8KMo12S14 Containing Mercury Chains.
Authors of publication	Gougeon, Patrick; Gall, Philippe
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	6
Pages of publication	3440 - 3446
a	9.2374 ± 0.0001 Å
b	9.2374 ± 0.0001 Å
c	16.3302 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	1206.76 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.268
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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