Crystallography Open Database

Information card for entry 7022761

Preview

Coordinates	7022761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 Cl Cu N4 O
Calculated formula	C18 H17 Cl Cu N4 O
SMILES	[Cu]12(Cl)Oc3ccccc3C=[N]1CCc1[n]2c2c([nH]1)cccc2.N#CC
Title of publication	Copper(II) complexes with 2NO and 3N donor ligands: synthesis, structures and chemical nuclease and anticancer activities.
Authors of publication	Rajarajeswari, Chandrasekaran; Loganathan, Rangasamy; Palaniandavar, Mallayan; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	23
Pages of publication	8347 - 8363
a	8.1634 ± 0.001 Å
b	10.2365 ± 0.0013 Å
c	11.6844 ± 0.0015 Å
α	108.091 ± 0.002°
β	108.147 ± 0.002°
γ	92.647 ± 0.002°
Cell volume	870.86 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0686
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
179932 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/27.	7022761.cif
90338	2013-11-17	cif/ Adding structures of 7022761, 7022762, 7022763, 7022764 via cif-deposit CGI script.	7022761.cif