Crystallography Open Database

Information card for entry 4329379

Preview

Coordinates	4329379.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-quinoxalinodichlorocopper(II)
Formula	C8 H6 Cl2 Cu N2
Calculated formula	C8 H6 Cl2 Cu N2
Title of publication	Synthesis, Structure, Magnetic Behavior, and Theoretical Analysis of Diazine-Bridged Magnetic Ladders: Cu(quinoxoline)X2 and Cu(2,3-dimethylpyrazine)X2 (X = Cl, Br)
Authors of publication	Joaquim Jornet-Somoza; Núria Codina-Castillo; Mercè Deumal; Fernando Mota; Juan J. Novoa; Robert T. Butcher; Mark M. Turnbull; Brian Keith; Christopher P. Landee; Jan L. Wikaira
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6315 - 6325
a	13.1229 ± 0.0004 Å
b	6.9476 ± 0.0002 Å
c	9.7058 ± 0.0003 Å
α	90°
β	107.467 ± 0.002°
γ	90°
Cell volume	844.1 ± 0.04 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0195
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
179396 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/93.	4329379.cif
78428	2013-04-02	cif/ Adding structures of 4329379 via cif-deposit CGI script.	4329379.cif