Crystallography Open Database

Information card for entry 7111992

7111991 << 7111992 >> 7111993

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Coordinates	7111992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H140 Li24 Na8 O246 Se8 W48
Calculated formula	Li16 Na4.2 O225.8 Se8 W48
Title of publication	Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles
Authors of publication	Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2155
a	37.7155 ± 0.0019 Å
b	26.0468 ± 0.0019 Å
c	14.082 ± 0.0007 Å
α	90°
β	97.632 ± 0.006°
γ	90°
Cell volume	13711.2 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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