Crystallography Open Database

Information card for entry 7251289

Preview

Coordinates	7251289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H45 B F42 O4 S4 Te
Calculated formula	C64 H45 B F42 O4 S4 Te
Title of publication	Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions
Authors of publication	Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor
Journal of publication	CrystEngComm
Year of publication	2025
a	12.5599 ± 0.0017 Å
b	12.6907 ± 0.0017 Å
c	14.1026 ± 0.0018 Å
α	76.029 ± 0.004°
β	75.037 ± 0.004°
γ	64.109 ± 0.004°
Cell volume	1932.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
303377 (current)	2025-11-25	cif/ Adding structures of 7251286, 7251287, 7251288, 7251289, 7251290, 7251291, 7251292, 7251293, 7251294, 7251295 via cif-deposit CGI script.	7251289.cif