Crystallography Open Database

Information card for entry 7721022

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Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H55.33 K8.63 Mo16 N6 O67.95 S16
Calculated formula	C12 H55.3332 K8.64 Mo16 N6 O67.9267 S16
Title of publication	Azole-carboxylate-modulated assembly of [Mo<sub>2</sub>O<sub>2</sub>S<sub>2</sub>]<sup>2+</sup> units: structural evolution from {Mo<sub>12</sub>} to {Mo<sub>16</sub>} rings for enhanced proton conductivity.
Authors of publication	Liu, Huachao; Tang, Rongqing; Ma, Yubin; Shao, Zhiyu; Xuan, Weimin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	19
Pages of publication	7497 - 7501
a	42.1527 ± 0.0007 Å
b	42.1527 ± 0.0007 Å
c	17.1567 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	26400.7 ± 0.8 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.2385
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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