Crystallography Open Database

Information card for entry 7249077

Preview

Coordinates	7249077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H28 F6 N3 P
Calculated formula	C15 H28 F6 N3 P
Title of publication	Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene.
Authors of publication	Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2024
Journal volume	26
Journal issue	31
Pages of publication	21030 - 21039
a	10.3526 ± 0.0008 Å
b	10.3526 ± 0.0008 Å
c	19.1311 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2050.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
296709 (current)	2024-12-06	cif/ Updating files of 7249077, 7249078, 7249079, 7249080, 7249081, 7249082 Original log message: Adding full bibliography for 7249077--7249082.cif.	7249077.cif
293503	2024-07-23	cif/ Adding structures of 7249077, 7249078, 7249079, 7249080, 7249081, 7249082 via cif-deposit CGI script.	7249077.cif