Crystallography Open Database

Information card for entry 8107449

Preview

Coordinates	8107449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 N2 O2 S8 W3
Calculated formula	C18 H30 N2 O2 S8 W3
Title of publication	Crystal structure of bis(trimethylphenylammonium) aqua-oxido-octathiotritungstate, (Me3PhN)2[W3OS8(H2O)]
Authors of publication	Kim, Kang-Woo; Kim, Sunghyeon
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	389 - 390
a	17.0254 ± 0.0013 Å
b	15.2534 ± 0.001 Å
c	11.8789 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3084.9 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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