Crystallography Open Database

Information card for entry 4109020

Preview

Coordinates	4109020.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(2,3-dimethylpyridinium) tetrabromocuprate
Formula	C14 H20 Br4 Cu N2
Calculated formula	C14 H20 Br4 Cu N2
SMILES	[Cu](Br)(Br)([Br-])[Br-].[nH+]1c(c(ccc1)C)C.[nH+]1c(c(ccc1)C)C
Title of publication	Synthesis, Structure, and Magnetic Properties of an Antiferromagnetic Spin-Ladder Complex: Bis(2,3-dimethylpyridinium) Tetrabromocuprate
Authors of publication	Alexander Shapiro; Christopher P. Landee; Mark M. Turnbull; Joaquim Jornet; Mercè Deumal; Juan J. Novoa; Michael A. Robb; William Lewis
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	952 - 959
a	7.5037 ± 0.0006 Å
b	31.613 ± 0.003 Å
c	8.2016 ± 0.0007 Å
α	90°
β	98.972 ± 0.002°
γ	90°
Cell volume	1921.7 ± 0.3 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178836 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90.	4109020.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109020.cif
57771	2012-05-21	cif/ Adding structures of 4109020 via cif-deposit CGI script.	4109020.cif