Crystallography Open Database

Information card for entry 4119250

4119249 << 4119250 >> 4119251

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Coordinates	4119250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H110 K9 N5 O133 Se2 W29
Calculated formula	C2 K9.4 N O117.7 Se2 W29
Title of publication	One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates
Authors of publication	Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1796 - 1805
a	16.7881 ± 0.0012 Å
b	16.8248 ± 0.0011 Å
c	22.9363 ± 0.0018 Å
α	91.583 ± 0.004°
β	109.045 ± 0.004°
γ	95.431 ± 0.003°
Cell volume	6084.6 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2162
Weighted residual factors for all reflections included in the refinement	0.2492
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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