Crystallography Open Database

Information card for entry 1548312

Preview

Coordinates	1548312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 K10 Mo14 O80 S2
Calculated formula	C26 K10 Mo14 O80 S2
Title of publication	Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine
Authors of publication	Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin
Journal of publication	Nature Communications
Year of publication	2014
Journal volume	5
Pages of publication	3715
a	11.2207 ± 0.0003 Å
b	22.4613 ± 0.0008 Å
c	16.9237 ± 0.0006 Å
α	90°
β	105.662 ± 0.001°
γ	90°
Cell volume	4106.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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