Crystallography Open Database

Information card for entry 4329158

Preview

Coordinates	4329158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Cl2 Cu N7 O9
Calculated formula	C29 H27 Cl2 Cu N7 O9
SMILES	[Cu]123([n]4c5ccccc5[nH]c4C[NH]1Cc1[n]2c2c([nH]1)cccc2)[n]1cccc2c1c1[n]3cccc1cc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
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	18.5438 ± 0.0017 Å
b	9.5229 ± 0.0009 Å
c	19.5434 ± 0.0017 Å
α	90°
β	117.341 ± 0.001°
γ	90°
Cell volume	3065.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1238
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.2076
Goodness-of-fit parameter for all reflections included in the refinement	1.262
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.	4329158.cif
78198	2013-04-01	cif/ Adding structures of 4329158 via cif-deposit CGI script.	4329158.cif