Crystallography Open Database

Information card for entry 7242365

Preview

Coordinates	7242365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cs N5 O
Calculated formula	C18 H12 Cs N5 O
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	12.1276 ± 0.0004 Å
b	7.2781 ± 0.0002 Å
c	20.5686 ± 0.0008 Å
α	90°
β	100.77 ± 0.003°
γ	90°
Cell volume	1783.53 ± 0.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265980 (current)	2021-06-05	cif/ Updating files of 7242361, 7242362, 7242363, 7242364, 7242365 Original log message: Adding full bibliography for 7242361--7242365.cif.	7242365.cif
262900	2021-03-09	cif/ Adding structures of 7242361, 7242362, 7242363, 7242364, 7242365 via cif-deposit CGI script.	7242365.cif