Crystallography Open Database

Information card for entry 4113125

Preview

Coordinates	4113125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 F4 Te
Calculated formula	C12 H10 F4 Te
SMILES	[Te](c1ccccc1)(c1ccccc1)(F)(F)(F)F
Title of publication	Organotellurium(VI) Azides and Halides
Authors of publication	Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	14166 - 14175
a	6.6539 ± 0.0009 Å
b	7.2989 ± 0.001 Å
c	7.8195 ± 0.0011 Å
α	60.502 ± 0.013°
β	66.843 ± 0.012°
γ	69.29 ± 0.011°
Cell volume	297.77 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.022
Weighted residual factors for all reflections	0.054
Weighted residual factors for significantly intense reflections	0.054
Goodness-of-fit parameter for all reflections	1.168
Goodness-of-fit parameter for significantly intense reflections	1.168
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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