Crystallography Open Database

Information card for entry 7056739

Preview

Coordinates	7056739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Cu N6 O6
Calculated formula	C31 H28 Cu N6 O6
Title of publication	Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(ii) complexes involving N2O4 donor azo Schiff base ligands
Authors of publication	Banerjee, Saikat; Ghorai, Pravat; Brandão, Paula; Ghosh, Dipanjan; Bhuiya, Sutanwi; Chattopadhyay, Dhrubajyoti; Das, Suman; Saha, Amrita
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	1
Pages of publication	246
a	11.0747 ± 0.0003 Å
b	10.6797 ± 0.0003 Å
c	25.2355 ± 0.0007 Å
α	90°
β	91.65 ± 0.002°
γ	90°
Cell volume	2983.48 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1278
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.266
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
230224 (current)	2019-11-17	cif/ Updating files of 7056737, 7056738, 7056739 Original log message: Adding full bibliography for 7056737--7056739.cif.	7056739.cif
203030	2017-11-10	cif/ Adding structures of 7056737, 7056738, 7056739 via cif-deposit CGI script.	7056739.cif