Crystallography Open Database

Information card for entry 7203710

7203709 << 7203710 >> 7203711

Preview

Coordinates	7203710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cu N4 O11
Calculated formula	C12 H10 Cu N4 O11
SMILES	[Cu]1(ON(=O)=O)([OH2])([n]2ccc(C(=O)O)cc2c2[n]1ccc(C(=O)O)c2)ON(=O)=O
Title of publication	The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]
Authors of publication	Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	13
Pages of publication	90
a	6.4404 ± 0.0004 Å
b	9.7045 ± 0.0006 Å
c	13.6309 ± 0.0008 Å
α	76.339 ± 0.001°
β	84.205 ± 0.001°
γ	78.894 ± 0.001°
Cell volume	810.96 ± 0.09 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0547
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
180368 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/37.	7203710.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203710.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203710.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203710.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203710.cif