Crystallography Open Database

Information card for entry 4110765

Preview

Coordinates	4110765.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(3-bromopyridine)copper(II) chloride
Formula	C10 H8 Br2 Cl2 Cu N2
Calculated formula	C10 H8 Br2 Cl2 Cu N2
SMILES	c1c(Br)ccc[n]1[Cu](Cl)(Cl)[n]1cc(ccc1)Br
Title of publication	Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation
Authors of publication	Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	9584 - 9585
a	3.88094 ± 0.00028 Å
b	13.8371 ± 0.00092 Å
c	12.16111 ± 0.00084 Å
α	90°
β	91.4741 ± 0.0021°
γ	90°
Cell volume	652.85 ± 0.08 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Goodness-of-fit parameter for all reflections	2.176
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178878 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/07.	4110765.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110765.cif
59605	2012-06-13	cif/ Adding structures of 4110765 via cif-deposit CGI script.	4110765.cif