Crystallography Open Database

Information card for entry 7128118

Preview

Coordinates	7128118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N4 Te2
Calculated formula	C34 H30 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	18.3874 ± 0.0006 Å
b	10.4516 ± 0.0003 Å
c	32.5186 ± 0.001 Å
α	90°
β	104.148 ± 0.002°
γ	90°
Cell volume	6059.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1225
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	7128118.cif
263501	2021-04-01	cif/ Adding structures of 7128116, 7128117, 7128118, 7128119 via cif-deposit CGI script.	7128118.cif