Crystallography Open Database

Information card for entry 4311429

Preview

Coordinates	4311429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 Cu2 I2 N6
Calculated formula	C16.036 H28.76 Cu2 I2 N6
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	9.5104 ± 0.0002 Å
b	15.1205 ± 0.0003 Å
c	15.3723 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2210.57 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
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
179153 (current)	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.	4311429.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311429.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311429.cif
2928	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311429 via cif-deposit CGI script.	4311429.cif