Crystallography Open Database

Information card for entry 7024431

Preview

Coordinates	7024431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.75 H53.75 Br4 Cu2 N5.75 O4
Calculated formula	C34 H52 Br4 Cu2 N4 O4
Title of publication	Cation and anion selectivity of zwitterionic salicylaldoxime metal salt extractants.
Authors of publication	Forgan, Ross S.; Davidson, James E.; Fabbiani, Francesca P. A.; Galbraith, Stuart G.; Henderson, David K.; Moggach, Stephen A.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	7
Pages of publication	1763 - 1770
a	16.8492 ± 0.0005 Å
b	24.7009 ± 0.0008 Å
c	10.5521 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4391.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179949 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/44.	7024431.cif
92484	2014-01-12	cif/ Adding structures of 7024427, 7024428, 7024429, 7024430, 7024431 via cif-deposit CGI script.	7024431.cif