Crystallography Open Database

Information card for entry 4110766

Preview

Coordinates	4110766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Br2 Cl4 Cu N2
Calculated formula	C10 H10 Br2 Cl4 Cu N2
SMILES	[Cu](Cl)(Cl)([Cl-])[Cl-].[nH+]1cc(Br)ccc1.[nH+]1cc(Br)ccc1
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	7.56821 ± 0.00022 Å
b	7.82283 ± 0.00022 Å
c	15.5551 ± 0.00044 Å
α	82.1012 ± 0.0015°
β	78.9087 ± 0.0017°
γ	67.0878 ± 0.0015°
Cell volume	830.44 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Goodness-of-fit parameter for all reflections	1.284
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.17464 Å
Diffraction radiation type	synchrotron
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.	4110766.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110766.cif
59607	2012-06-13	cif/ Adding structures of 4110766 via cif-deposit CGI script.	4110766.cif