Crystallography Open Database

Information card for entry 7037110

Preview

Coordinates	7037110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H76 Cu2 N16 O8
Calculated formula	C46 H76 Cu2 N16 O8
SMILES	[Cu]1(OC(=O)C)(OC(=O)C)[N](c2c3c([N]1=C(N(C)C)N(C)C)ccc1[N]([Cu](OC(=O)C)(OC(=O)C)[N](c(c31)cc2)=C(N(C)C)N(C)C)=C(N(C)C)N(C)C)=C(N(C)C)N(C)C.N#CC.N#CC.N#CC.N#CC
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	12.365 ± 0.0004 Å
b	12.5243 ± 0.0005 Å
c	20.2731 ± 0.0006 Å
α	85.405 ± 0.003°
β	78.567 ± 0.003°
γ	63.473 ± 0.003°
Cell volume	2753.17 ± 0.18 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170199 (current)	2015-11-07	cif/ Adding structures of 7037106, 7037107, 7037108, 7037109, 7037110, 7037111 via cif-deposit CGI script.	7037110.cif