Crystallography Open Database

Information card for entry 4118271

Preview

Coordinates	4118271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H40 K8 Mo16 O60 S12
Calculated formula	C8 K8 Mo16 O60 S12
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	21.6956 ± 0.0011 Å
b	9.251 ± 0.0005 Å
c	22.0442 ± 0.0012 Å
α	90°
β	107.579 ± 0.002°
γ	90°
Cell volume	4217.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118271.html