Crystallography Open Database

Information card for entry 7224724

Preview

Coordinates	7224724.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N-dimethylbipyridinium dibromide
Formula	C12 H14 Br2 N2
Calculated formula	C12 H14 Br2 N2
SMILES	c1cc(cc[n+]1C)c1cc[n+](cc1)C.[Br-].[Br-]
Title of publication	Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide
Authors of publication	Anioła, Michalina; Katrusiak, Andrzej
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	18
Pages of publication	3223
a	5.947 ± 0.003 Å
b	8.068 ± 0.008 Å
c	13.411 ± 0.005 Å
α	90°
β	95.94 ± 0.03°
γ	90°
Cell volume	640 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Cell measurement pressure	350000 kPa
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 all reflections	0.097
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2298
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182635 (current)	2016-05-06	cif/ Updating files of 7224724, 7224725, 7224726, 7224727, 7224728, 7224729 Original log message: Adding full bibliography for 7224724--7224729.cif.	7224724.cif
180213	2016-03-26	cif/ Adding structures of 7224724, 7224725, 7224726, 7224727, 7224728, 7224729 via cif-deposit CGI script.	7224724.cif