Crystallography Open Database

Information card for entry 2200497

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Structure parameters

Formula	C25 H13 Cl2 N6
Calculated formula	C25 H13 Cl2 N6
SMILES	Clc1c(cc(Cl)c(c1)[C](C#N)C#N)[C-](C#N)C#N.[n+]1(c2ccccc2nc2ccccc12)C
Title of publication	<i>N</i>-Methylphenazinium 2,5-dichloro-7,7',8,8'-tetracyanoquinodimethanide
Authors of publication	Kazumasa Ueda; Toyonari Sugimoto; Tomoyuki Mochida
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	7
Pages of publication	o578 - o580
a	7.2978 ± 0.0003 Å
b	14.9895 ± 0.0005 Å
c	19.6091 ± 0.0006 Å
α	90°
β	91.042 ± 0.001°
γ	90°
Cell volume	2144.69 ± 0.13 Å³
Cell temperature	296 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.316
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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