Crystallography Open Database

Information card for entry 7056737

Preview

Coordinates	7056737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Cu N6 O6
Calculated formula	C33 H33 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	9.5695 ± 0.0011 Å
b	10.607 ± 0.001 Å
c	16.3461 ± 0.0015 Å
α	71.986 ± 0.004°
β	83.215 ± 0.005°
γ	85.146 ± 0.005°
Cell volume	1564.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7056737.cif
203030	2017-11-10	cif/ Adding structures of 7056737, 7056738, 7056739 via cif-deposit CGI script.	7056737.cif