Crystallography Open Database

Information card for entry 4511657

Preview

Coordinates	4511657.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(2-BrPyH)2CuCl4)
Chemical name	2-Bromopyridinium tetrachlorocoprate(II)
Formula	C10 H10 Br2 Cl4 Cu N2
Calculated formula	C10 H10 Br2 Cl4 Cu N2
SMILES	c1(cccc[nH+]1)Br.[Cu](Cl)(Cl)([Cl-])[Cl-].c1(cccc[nH+]1)Br
Title of publication	The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions
Authors of publication	Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan
Journal of publication	Crystal Growth & Design
Year of publication	2003
Journal volume	3
Journal issue	3
Pages of publication	301
a	12.938 ± 0.005 Å
b	9.616 ± 0.003 Å
c	13.784 ± 0.005 Å
α	90°
β	91.75 ± 0.03°
γ	90°
Cell volume	1714.1 ± 1.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0484
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511657.cif
120543	2014-07-18	cif/ Adding structures of 4511657, 4511658, 4511659, 4511660, 4511661 via cif-deposit CGI script.	4511657.cif