Crystallography Open Database

Information card for entry 7249081

Preview

Coordinates	7249081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H72 B2 F8 N6
Calculated formula	C38 H72 B2 F8 N6
Title of publication	Anion-π interaction with alkenes: persistent complexes vs irreversible reactions of anions with tetracyanoethylene
Authors of publication	Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2024
a	12.847 ± 0.004 Å
b	17.517 ± 0.005 Å
c	20.811 ± 0.006 Å
α	94.897 ± 0.011°
β	90.015 ± 0.016°
γ	97.384 ± 0.014°
Cell volume	4627 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0731
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.1854
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249081.html