Crystallography Open Database

Information card for entry 7128119

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Structure parameters

Formula	C44 H34 N4 Te2
Calculated formula	C44 H34 N4 Te2
SMILES	c1(cccc2cc3cccc(c3cc12)C#C[Te]C)C#C[Te]C.c1cnccc1/C=C/c1ccncc1.c1cc(ccn1)/C=C/c1ccncc1
Title of publication	Supramolecular rectangles through directional chalcogen bonding.
Authors of publication	Dhaka, Arun; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	37
Pages of publication	4560 - 4563
a	10.39 ± 0.002 Å
b	11.252 ± 0.002 Å
c	16.357 ± 0.004 Å
α	98.128 ± 0.007°
β	91.282 ± 0.007°
γ	96.44 ± 0.007°
Cell volume	1879.7 ± 0.7 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.0867
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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