Crystallography Open Database

Information card for entry 2012534

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Structure parameters

Chemical name	Bis(tetra-n-butylammonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) at 150K
Formula	C38 H72 N2 S10 Zn
Calculated formula	C38 H72 N2 S10 Zn
Title of publication	Bis(tetra-<i>n</i>-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K)
Authors of publication	Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	2
Pages of publication	m105 - m108
a	19.2564 ± 0.0003 Å
b	8.9478 ± 0.0002 Å
c	29.2379 ± 0.0005 Å
α	90°
β	92.9544 ± 0.0007°
γ	90°
Cell volume	5031.06 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1461
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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