Crystallography Open Database

Information card for entry 7209512

7209511 << 7209512 >> 7209513

Preview

Coordinates	7209512.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans-Bis(2,5-dibromopyridine)dibromocopper(ii)
Chemical name	trans-Bis(2,5-dibromopyridine)dibromocopper(II)
Formula	C10 H6 Br6 Cu N2
Calculated formula	C10 H6 Br6 Cu N2
SMILES	Br[Cu](Br)([n]1c(Br)ccc(c1)Br)[n]1c(ccc(c1)Br)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	6.3071 ± 0.001 Å
b	8.0751 ± 0.0014 Å
c	8.5714 ± 0.0011 Å
α	104.521 ± 0.013°
β	94.539 ± 0.01°
γ	102.964 ± 0.011°
Cell volume	407.57 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7209512.cif
86006	2013-05-09	cif/ Adding structures of 7209512, 7209513 via cif-deposit CGI script.	7209512.cif