Crystallography Open Database

Information card for entry 7233299

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Coordinates	7233299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 N6
Calculated formula	C21 H16 N6
Title of publication	Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof
Authors of publication	Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	36
Pages of publication	5500
a	6.1192 ± 0.0006 Å
b	17.6034 ± 0.0005 Å
c	18.3391 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1975.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1358
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2019
Weighted residual factors for all reflections included in the refinement	0.2643
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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