Crystallography Open Database

Information card for entry 7002632

Preview

Coordinates	7002632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Cu4 N6 Na2 O23
Calculated formula	C26 H30 Cu4 N6 Na2 O23
SMILES	Cc1cc2c3c(c1)C=[N]1CCO[Cu]41[O]3[Cu]1([N](=C2)CCO1)[O]4[Na]12([OH2])(ON(=[O]1)=O)[OH2][Na]1([OH2])(ON(=[O]1)=O)([OH2]2)[O]1[Cu]23[N](CCO2)=Cc(cc2C)c4c(c2)C=[N]2CCO[Cu]12[O]34.O.O.O.O.O
Title of publication	Interaction with DNA of a heteronuclear [Na2Cu4] coordination cluster obtained from the assembly of two hydroxo-bridged [CuII2] units by a dimeric sodium nitrate template
Authors of publication	Mandal, Debashree; Chauhan, Mala; Arjmand, Farukh; Aromí, Guillem; Ray, Debashis
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	42
Pages of publication	9183
a	28.09 ± 0.03 Å
b	9.13 ± 0.02 Å
c	18.26 ± 0.03 Å
α	90°
β	115.98 ± 0.05°
γ	90°
Cell volume	4210 ± 13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179730 (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 7/00/26.	7002632.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002632.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002632.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.	7002632.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002632.cif