Crystallography Open Database

Information card for entry 4119256

4119255 << 4119256 >> 4119257

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Coordinates	4119256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H513 K36 N19 Ni2 O580 Se8 W118
Calculated formula	C13.7 K28.45 N8 Ni2 O472.05 Se8 W118.01
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	24.2094 ± 0.0005 Å
b	34.0606 ± 0.0008 Å
c	38.6461 ± 0.0008 Å
α	74.288 ± 0.001°
β	77.319 ± 0.001°
γ	72.362 ± 0.001°
Cell volume	28904.2 ± 1.1 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	0.1373
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1856
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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