Crystallography Open Database

Information card for entry 4339176

Preview

Coordinates	4339176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Cl2 N10 O11 Zn
Calculated formula	C34 H29 Cl2 N10 O11 Zn
SMILES	[Zn]12([n]3cccc4c5c(c6ccc[n]1c6c34)nccn5)([n]1cccc3c4c(c5ccc[n]2c5c13)nccn4)([O]=CN(C)C)[O]=CN(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
Title of publication	New insights into the visible-light-induced DNA cleavage activity of dipyridoquinoxaline complexes of bivalent 3d-metal ions.
Authors of publication	Roy, Mithun; Pathak, Biswarup; Patra, Ashis K.; Jemmis, Eluvathingal D.; Nethaji, Munirathinam; Chakravarty, Akhil R.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11122 - 11132
a	13.6228 ± 0.0019 Å
b	13.612 ± 0.0019 Å
c	40.764 ± 0.006 Å
α	90°
β	98.331 ± 0.002°
γ	90°
Cell volume	7479.2 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.2185
Residual factor for significantly intense reflections	0.1113
Weighted residual factors for significantly intense reflections	0.2181
Weighted residual factors for all reflections included in the refinement	0.2662
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339176.cif
117178	2014-06-14	cif/ Adding structures of 4339176 via cif-deposit CGI script.	4339176.cif