Crystallography Open Database

Information card for entry 7039656

Preview

Coordinates	7039656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 Cl3 Cu2 N12 O17
Calculated formula	C32 H31 Cl3 Cu2 N12 O17
SMILES	[Cu]1234[N](NC(=O)CCC5=[O][Cu]678([N](NC(=[O]6)CCC(=N[N]2=Cc2[n]3cccc2)O1)=Cc1[n]7cccc1)[N](N5)=Cc1[n]8cccc1)=Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
Title of publication	Synthesis, structure, magnetic and biological activity studies of bis-hydrazone derived Cu(ii) and Co(ii) coordination compounds.
Authors of publication	Golla, Upendarrao; Adhikary, Amit; Mondal, Amit Kumar; Tomar, Raghuvir Singh; Konar, Sanjit
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	29
Pages of publication	11849 - 11863
a	16.9852 ± 0.0007 Å
b	17.3596 ± 0.0008 Å
c	17.1867 ± 0.0008 Å
α	90°
β	107.345 ± 0.003°
γ	90°
Cell volume	4837.2 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
185492 (current)	2016-08-07	cif/ Updating files of 7039656, 7039657, 7039658, 7039659 Original log message: Adding full bibliography for 7039656--7039659.cif.	7039656.cif
183898	2016-06-24	cif/ Adding structures of 7039656, 7039657, 7039658, 7039659 via cif-deposit CGI script.	7039656.cif