Crystallography Open Database

Information card for entry 4503225

Preview

Coordinates	4503225.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[{2,2'-bipyridine-4,4'-diamine}di(nitro)copper(II)]
Formula	C10 H10 Cu N6 O6
Calculated formula	C10 H10 Cu N6 O6
SMILES	c12c3cc(cc[n]3[Cu]34([n]2ccc(c1)N)([O]=N(=O)O3)ON(=[O]4)=O)N
Title of publication	New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites
Authors of publication	Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	643
a	14.744 ± 0.0012 Å
b	8.951 ± 0.0007 Å
c	10.0648 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1328.29 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.8464 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179563 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/32.	4503225.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503225.cif
41426	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503221, 4503222, 4503223, 4503224, 4503225, 4503226, 4503227 via cif-deposit CGI script.	4503225.cif