Crystallography Open Database

Information card for entry 4119259

4119258 << 4119259 >> 4119260

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Coordinates	4119259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H616 Cl3 Cu9 K90 N9 O876 Se12 W174
Calculated formula	C3 Cl3 Cu9 K63.9 N3 O850.6 Se12 W174
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	46.5979 ± 0.0008 Å
b	46.5979 ± 0.0008 Å
c	35.8791 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	67469 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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