Crystallography Open Database

Information card for entry 7037109

Preview

Coordinates	7037109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H34 Cu I4 N9
Calculated formula	C23 H34 Cu I4 N9
SMILES	c12ccc3nc(N(C)C)nc4c3c1c(cc4)=[N]([Cu](I)[N]2=C(N(C)C)N(C)C)C(=[N+](C)C)N(C)C.[I-](I)I
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	12.27369 ± 0.00016 Å
b	12.65803 ± 0.00014 Å
c	20.9347 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3252.43 ± 0.07 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.174
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 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.	7037109.cif