Crystallography Open Database

Information card for entry 7249082

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Coordinates	7249082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 N6
Calculated formula	C24 H36 N6
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	22.2957 ± 0.0009 Å
b	10.8914 ± 0.0004 Å
c	21.7156 ± 0.0009 Å
α	90°
β	108.298 ± 0.0015°
γ	90°
Cell volume	5006.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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