Crystallography Open Database

Information card for entry 4119254

4119253 << 4119254 >> 4119255

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Coordinates	4119254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H600 K34 Mn2 N20 O620 Se8 W118
Calculated formula	C6.3 K27 Mn2 N4.4 O471.1 Se8 W118
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	28.6539 ± 0.0004 Å
b	31.8568 ± 0.0006 Å
c	37.004 ± 0.0006 Å
α	81.405 ± 0.001°
β	81.801 ± 0.001°
γ	66.601 ± 0.002°
Cell volume	30522.8 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1595
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	0.855
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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