Crystallography Open Database

Information card for entry 7062610

Preview

Coordinates	7062610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H74 Cl2 Cu2 N5 O12
Calculated formula	C61 H74 Cl2 Cu2 N5 O12
SMILES	[Cu]12([O]=C(c3ccccc3)O[Cu]34Oc5c(cc(cc5C=[N]4c4c5[n]3cccc5ccc4)C(C)(C)C)C(C)(C)C)Oc3c(cc(cc3C=[N]2c2c3[n]1cccc3ccc2)C(C)(C)C)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N(CC)(CC)CC
Title of publication	Synthesis of a new benzoate bridged NNO tethered copper(ii) complex: exploration of its bio, catalytic and anticancer activities
Authors of publication	Mandal, Subrata; Naskar, Rahul; Mukherjee, Rimi; Mondal, Apurba Sau; Das, Akash; Murmu, Nabendu; Mondal, Tapan K.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	32
Pages of publication	15267 - 15282
a	6.8473 ± 0.0006 Å
b	59.627 ± 0.005 Å
c	15.0537 ± 0.0015 Å
α	90°
β	93.948 ± 0.003°
γ	90°
Cell volume	6131.6 ± 1 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	0.1008
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2074
Weighted residual factors for all reflections included in the refinement	0.2261
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
286156 (current)	2023-09-05	cif/ Updating files of 7062610 Original log message: Adding full bibliography for 7062610.cif.	7062610.cif
285291	2023-07-20	cif/ Adding structures of 7062610 via cif-deposit CGI script.	7062610.cif