Crystallography Open Database

Information card for entry 7001925

7001924 << 7001925 >> 7001926

Preview

Coordinates	7001925.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 2
Formula	C36 H28 Cl2 Cu2 N8 O10
Calculated formula	C36 H28 Cl2 Cu2 N8 O10
SMILES	C1(=N[N]2=Cc3cccc[n]3[Cu]2(O1)([n]1ccc(cc1)c1cc[n]([Cu]23([N](=Cc4cccc[n]34)N=C(O2)c2ccccc2)OCl(=O)(=O)=O)cc1)OCl(=O)(=O)=O)c1ccccc1
Title of publication	Four new dinuclear Cu(ii) hydrazone complexes using various organic spacers: syntheses, crystal structures, DNA binding and cleavage studies and selective cell inhibitory effect towards leukemic and normal lymphocytes
Authors of publication	Banerjee, Sambuddha; Mondal, Susmita; Sen, Soma; Das, Saurabh; Hughes, David L.; Rizzoli, Corrado; Desplanches, Cédric; Mandal, Chitra; Mitra, Samiran
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	34
Pages of publication	6849 - 6860
a	12.3678 ± 0.0012 Å
b	12.8964 ± 0.0011 Å
c	12.9157 ± 0.0012 Å
α	90°
β	115.2 ± 0.009°
γ	90°
Cell volume	1864 ± 0.3 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 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	0.1137
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179717 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/19.	7001925.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001925.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001925.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7001925.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001925.cif