Crystallography Open Database

Information card for entry 4329159

Preview

Coordinates	4329159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H39 Cl2 Cu N7 O10
Calculated formula	C34 H39 Cl2 Cu N7 O10
SMILES	[Cu]123([n]4c5ccccc5[nH]c4C[NH]1Cc1[n]2c2c([nH]1)cccc2)[n]1c2c4[n]3cccc4c(c(c2ccc1)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O(CC)CC.O
Title of publication	Mixed Ligand Copper(II) Complexes of N,N-Bis(benzimidazol-2-ylmethyl)amine (BBA) with Diimine Co-Ligands: Efficient Chemical Nuclease and Protease Activities and Cytotoxicity
Authors of publication	Rangasamy Loganathan; Sethu Ramakrishnan; Eringathodi Suresh; Anvarbatcha Riyasdeen; Mohamad Abdulkadhar Akbarsha; Mallayan Palaniandavar
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5512 - 5532
a	13.3357 ± 0.0004 Å
b	17.1139 ± 0.0005 Å
c	17.4396 ± 0.0005 Å
α	90°
β	107.518 ± 0.001°
γ	90°
Cell volume	3795.58 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0863
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1723
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329159.cif
78199	2013-04-01	cif/ Adding structures of 4329159 via cif-deposit CGI script.	4329159.cif