Crystallography Open Database

Information card for entry 4118272

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Coordinates	4118272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H51 K Mo10 N2 O36 S8
Calculated formula	C12 K Mo10 N2 O36 S8
Title of publication	Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking
Authors of publication	HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	11376 - 11379
a	16.647 ± 0.0005 Å
b	16.647 ± 0.0005 Å
c	41.4457 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	9946.8 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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