Crystallography Open Database

Information card for entry 4311428

Preview

Coordinates	4311428.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CuCl2Cu(C8H15)2]
Formula	C16 H30 Cl2 Cu2 N6
Calculated formula	C16 H30 Cl2 Cu2 N6
SMILES	C12=[N]([Cu]([Cu](Cl)Cl)[N]3=C4N(CCCN4CCC3)C)CCCN2CCCN1C
Title of publication	Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems
Authors of publication	Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5168 - 5172
a	16.8277 ± 0.0004 Å
b	12.2576 ± 0.0003 Å
c	9.7062 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2002.07 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation probe	x-ray
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
271679 (current)	2022-01-02	cif/4: Fixing some Z values and formulae	4311428.cif
179153	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/14.	4311428.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311428.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311428.cif
2927	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311428 via cif-deposit CGI script.	4311428.cif