Crystallography Open Database

Information card for entry 7008335

Preview

Coordinates	7008335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H50 B2 Cl2 Cu2 F14 N6
Calculated formula	C49 H50 B2 Cl2 Cu2 F14 N6
Title of publication	Bis(triazacyclohexane) sandwich complexes of (Cu(I))(2), Cu(II) and Zn(II): complexes with cuprophilic attraction between two cationic copper(I) leading to unusual reactivity with dioxygen.
Authors of publication	Köhn, Randolf D; Pan, Zhida; Haufe, Matthias; Kociok-Köhn, Gabriele
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	16
Pages of publication	2793 - 2797
a	10.262 ± 0.0002 Å
b	10.652 ± 0.0002 Å
c	14.212 ± 0.0004 Å
α	69.395 ± 0.001°
β	71.443 ± 0.001°
γ	64.554 ± 0.001°
Cell volume	1287.18 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179787 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/83.	7008335.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008335.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008335.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008335.cif