Crystallography Open Database

Information card for entry 2243270

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Structure parameters

Chemical name	Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridinium] tetrachloridomanganate(II)
Formula	C26 H24 Cl4 Mn N6
Calculated formula	C26 H24 Cl4 Mn N6
SMILES	[Mn](Cl)(Cl)([Cl-])[Cl-].c1n(C)c([n+]2ccccc12)c1ccccn1.c1n(C)c([n+]2ccccc12)c1ccccn1
Title of publication	Crystal structure of imidazo[1,5-<i>a</i>]pyridinium-based hybrid salt (C~13~H~12~N~3~)~2~[MnCl~4~]
Authors of publication	Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Petrusenko, Svitlana R.; Melnyk, Andrii K.; Skelton, Brian W.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	3
Pages of publication	309 - 313
a	7.4892 ± 0.0001 Å
b	15.9488 ± 0.0004 Å
c	22.4266 ± 0.0005 Å
α	90°
β	94.896 ± 0.002°
γ	90°
Cell volume	2668.94 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.1855
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
247945 (current)	2020-02-07	cif/ hkl/ Adding structures of 2243270 via cif-deposit CGI script.	2243270.cif 2243270.hkl