Crystallography Open Database

Information card for entry 7128117

Preview

Coordinates	7128117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 N4 Te2
Calculated formula	C30 H22 N4 Te2
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	10.8282 ± 0.0019 Å
b	24.258 ± 0.004 Å
c	11.763 ± 0.002 Å
α	90°
β	115.48 ± 0.006°
γ	90°
Cell volume	2789.3 ± 0.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.099
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.24
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

Version history

Revision	Date	Message	Files
265842 (current)	2021-06-05	cif/ Updating files of 7128116, 7128117, 7128118, 7128119 Original log message: Adding full bibliography for 7128116--7128119.cif.	7128117.cif
263501	2021-04-01	cif/ Adding structures of 7128116, 7128117, 7128118, 7128119 via cif-deposit CGI script.	7128117.cif