Crystallography Open Database

Information card for entry 2219242

2219241 << 2219242 >> 2219243

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Structure parameters

Chemical name	4,4'-Dimethyl-2,2'-bipyridinium dichloride
Formula	C12 H14 Cl2 N2
Calculated formula	C12 H14 Cl2 N2
SMILES	c1(cc(cc[nH+]1)C)c1cc(cc[nH+]1)C.[Cl-].[Cl-]
Title of publication	4,4'-Dimethyl-2,2'-bipyridinium dichloride
Authors of publication	Eckensberger, Urs David; Lerner, Hans-Wolfram; Bolte, Michael
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	9
Pages of publication	o1806
a	5.1999 ± 0.001 Å
b	7.2705 ± 0.0013 Å
c	8.4785 ± 0.0015 Å
α	93.877 ± 0.015°
β	102.349 ± 0.015°
γ	97.759 ± 0.015°
Cell volume	308.71 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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