Crystallography Open Database

Information card for entry 4113123

Preview

Coordinates	4113123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 N3 Te
Calculated formula	C30 H25 N3 Te
SMILES	[Te](N=N#N)(c1ccccc1)(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
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	10.411 ± 0.002 Å
b	17.363 ± 0.004 Å
c	13.854 ± 0.002 Å
α	90°
β	92.125 ± 0.015°
γ	90°
Cell volume	2502.6 ± 0.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for all reflections	0.0848
Weighted residual factors for significantly intense reflections	0.0796
Goodness-of-fit parameter for all reflections	1.165
Goodness-of-fit parameter for significantly intense reflections	1.189
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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