Crystallography Open Database

Information card for entry 4330729

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Structure parameters

Formula	C28 H26 F6 O7 S2 Te2
Calculated formula	C28 H24 F6 O7 S2 Te2
SMILES	[Te+](c1ccc2c3c(ccc([Te+](c4ccccc4)C)c13)CC2)(c1ccccc1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
Title of publication	Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study
Authors of publication	Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11087 - 11097
a	11.52 ± 0.006 Å
b	12.034 ± 0.005 Å
c	12.673 ± 0.006 Å
α	94.912 ± 0.008°
β	107.861 ± 0.007°
γ	104.125 ± 0.011°
Cell volume	1596.9 ± 1.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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