Crystallography Open Database

Information card for entry 7032819

Preview

Coordinates	7032819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H42 Cl5 N7 O3.5 Zn2.5
Calculated formula	C27.5 H38 Cl5 N7 O3.5 Zn2.5
Title of publication	Syntheses of polypyridyl metal complexes and studies of their interaction with quadruplex DNA.
Authors of publication	Stafford, Verity S.; Suntharalingam, Kogularamanan; Shivalingam, Arun; White, Andrew J. P.; Mann, David J.; Vilar, Ramon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	8
Pages of publication	3686 - 3700
a	14.9174 ± 0.0004 Å
b	15.4884 ± 0.0005 Å
c	18.5245 ± 0.0005 Å
α	69.026 ± 0.003°
β	81.075 ± 0.002°
γ	63.677 ± 0.003°
Cell volume	3582 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0475
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7032819.cif
133406	2015-03-06	cif/ Updating files of 7032818, 7032819, 7032820 Original log message: Adding full bibliography for 7032818--7032820.cif.	7032819.cif
125526	2014-10-18	cif/ Adding structures of 7032818, 7032819, 7032820 via cif-deposit CGI script.	7032819.cif