Crystallography Open Database

Information card for entry 7037111

Preview

Coordinates	7037111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 Cl2 F12 N12 P2
Calculated formula	C31 H52 Cl2 F12 N12 P2
Title of publication	Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.
Authors of publication	Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	44
Pages of publication	19111 - 19125
a	12.794 ± 0.003 Å
b	8.002 ± 0.0016 Å
c	21.272 ± 0.004 Å
α	90°
β	96.49 ± 0.03°
γ	90°
Cell volume	2163.8 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7037111.cif
170199	2015-11-07	cif/ Adding structures of 7037106, 7037107, 7037108, 7037109, 7037110, 7037111 via cif-deposit CGI script.	7037111.cif