Crystallography Open Database

Information card for entry 7209513

7209512 << 7209513 >> 7209514

Preview

Coordinates	7209513.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans-Bis(2,5-dibromopyridine)dichlorocopper(ii)
Chemical name	trans-Bis(2,5-dibromopyridine)dichlorocopper(II)
Formula	C10 H6 Br4 Cl2 Cu N2
Calculated formula	C10 H6 Br4 Cl2 Cu N2
SMILES	c1(Br)ccc(c[n]1[Cu](Cl)([n]1c(ccc(c1)Br)Br)Cl)Br
Title of publication	Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)
Authors of publication	Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	16
Pages of publication	3111
a	8.3173 ± 0.0013 Å
b	12.847 ± 0.002 Å
c	14.61 ± 0.003 Å
α	90°
β	90.868 ± 0.008°
γ	90°
Cell volume	1560.9 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
180426 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/95.	7209513.cif
86006	2013-05-09	cif/ Adding structures of 7209512, 7209513 via cif-deposit CGI script.	7209513.cif