Crystallography Open Database

Information card for entry 7224725

Preview

Coordinates	7224725.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	44'-bipyridine hydrobromide
Formula	C10 H10 Br2 N2
Calculated formula	C10 H10 Br2 N2
SMILES	c1cc(cc[nH+]1)c1cc[nH+]cc1.[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	4.8986 ± 0.0006 Å
b	7.6614 ± 0.001 Å
c	7.989 ± 0.0009 Å
α	70.464 ± 0.011°
β	87.005 ± 0.01°
γ	77.176 ± 0.011°
Cell volume	275.44 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0193
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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