Crystallography Open Database

Information card for entry 4119258

4119257 << 4119258 >> 4119259

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Coordinates	4119258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H514 Cu2 K34 N18 O586 Se8 W119
Calculated formula	C13.3 Cu2 K26.1 N10.9 O486.1 Se8 W119
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	24.2441 ± 0.0008 Å
b	33.9935 ± 0.0011 Å
c	38.6904 ± 0.0013 Å
α	74.306 ± 0.002°
β	77.339 ± 0.002°
γ	72.883 ± 0.002°
Cell volume	28998.4 ± 1.7 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	0.1083
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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