Crystallography Open Database

Information card for entry 7201335

7201334 << 7201335 >> 7201336

Preview

Coordinates	7201335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Cl2 Cu N4 O2
Calculated formula	C21 H20 Cl2 Cu N4 O2
SMILES	[Cu]12(Cl)(Cl)[n]3ccccc3c3[n]1c(cc(c3)c1ccncc1)c1[n]2cccc1.OC.O
Title of publication	Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts
Authors of publication	Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2406
a	8.175 ± 0.003 Å
b	8.646 ± 0.003 Å
c	16.128 ± 0.006 Å
α	95.35 ± 0.03°
β	99.39 ± 0.03°
γ	108.48 ± 0.02°
Cell volume	1053.8 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7201335.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201335.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201335.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.	7201335.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201335.cif