Crystallography Open Database

Information card for entry 1543658

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Structure parameters

Chemical name	Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
Formula	C20 H16 Br4 Cu2 N4 O4
Calculated formula	C20 H16 Br4 Cu2 N4 O4
SMILES	[Br]1[Cu]2([Br][Cu]31(Br)[n]1ccc(O)cc1c1[n]3ccc(O)c1)(Br)[n]1ccc(O)cc1c1[n]2ccc(O)c1
Title of publication	Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
Authors of publication	Rodriguez-Santiago, Alan J; Acosta, Carlos; Raptis, Raphael G.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	7
Pages of publication	x161029
a	8.0636 ± 0.0007 Å
b	8.4278 ± 0.0007 Å
c	17.2516 ± 0.0014 Å
α	90°
β	91.82 ± 0.002°
γ	90°
Cell volume	1171.8 ± 0.17 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 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
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
184425 (current)	2016-07-13	cif/ hkl/ Adding structures of 1543658 via cif-deposit CGI script.	1543658.cif 1543658.hkl