Crystallography Open Database

Information card for entry 7132212

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Coordinates	7132212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 B9 N4 Se2
Calculated formula	C18 H33 B9 N4 Se2
Title of publication	Carborane-based heteromolecular extended networks driven by directional C–Te•••N chalcogen bonding interactions
Authors of publication	Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique; Lee, Sunhee; Han, Won-Sik; Jeon, Ie-Rang
Journal of publication	Chemical Communications
Year of publication	2023
a	9.4316 ± 0.0004 Å
b	11.7393 ± 0.0006 Å
c	13.1695 ± 0.0007 Å
α	91.699 ± 0.002°
β	107.07 ± 0.001°
γ	110.878 ± 0.001°
Cell volume	1287.58 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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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