Crystallography Open Database

Information card for entry 7151156

Preview

Coordinates	7151156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 Cu N5 O6
Calculated formula	C22 H17 Cu N5 O6
Title of publication	The importance of metal geometry in the recognition of G-quadruplex-DNA by metal-terpyridine complexes
Authors of publication	Bertrand, Hélène; Monchaud, David; De Cian, Anne; Guillot, Régis; Mergny, Jean-Louis; Teulade-Fichou, Marie-Paule
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2007
Journal volume	5
Journal issue	16
Pages of publication	2555
a	12.996 ± 0.002 Å
b	9.9631 ± 0.0015 Å
c	17.8565 ± 0.0018 Å
α	90°
β	116.763 ± 0.008°
γ	90°
Cell volume	2064.4 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.207
Weighted residual factors for all reflections included in the refinement	0.2111
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7151156.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151156.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151156.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7151156.cif