Crystallography Open Database

Information card for entry 7242361

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Coordinates	7242361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 Li N5 O2
Calculated formula	C17 H12 Li N5 O2
Title of publication	Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties
Authors of publication	Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	15
Pages of publication	2816 - 2824
a	10.3684 ± 0.0005 Å
b	11.7212 ± 0.0006 Å
c	13.6653 ± 0.0007 Å
α	96.048 ± 0.004°
β	93.197 ± 0.005°
γ	97.803 ± 0.005°
Cell volume	1632.07 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 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	0.113
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1859
Goodness-of-fit parameter for all reflections included in the refinement	0.851
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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