Crystallography Open Database

Information card for entry 7111529

Preview

Coordinates	7111529.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dibromo(2,5-dimethylpyrazino)copper (ii)
Chemical name	Dibromo(2,5-dimethylpyrazino)copper (II)
Formula	C6 H8 Br2 Cu N2
Calculated formula	C6 H8 Br2 Cu N2
Title of publication	Strong through-space two-halide magnetic exchange of −234 K in (2,5-dimethylpyrazine)copper(ii) bromide
Authors of publication	Butcher, Robert T.; Novoa, Juan J.; Ribas-Ariño, Jordi; Sandvik, Anders W.; Turnbull, Mark M.; Landee, Christopher P.; Wells, Brian M.; Awwadi, Firas F.
Journal of publication	Chemical Communications
Year of publication	2009
Journal issue	11
Pages of publication	1359 - 1361
a	9.0555 ± 0.0011 Å
b	8.3909 ± 0.001 Å
c	6.6969 ± 0.0008 Å
α	90°
β	109.428 ± 0.008°
γ	90°
Cell volume	479.88 ± 0.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111529.cif
96622	2014-01-29	cif/ Adding structures of 7111529 via cif-deposit CGI script.	7111529.cif