Crystallography Open Database

Information card for entry 7219609

7219608 << 7219609 >> 7219610

Preview

Coordinates	7219609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H41 Cu N8 O16 P2
Calculated formula	C36 H43 Cu N8 O16 P2
SMILES	[Cu]12([NH2][C@@H]3CCCC[C@H]3[NH2]2)[NH2][C@@H]2[C@@H]([NH2]1)CCCC2.P(=O)(Oc1ccc(N(=O)=O)cc1)([O-])Oc1ccc(N(=O)=O)cc1.P(=O)(Oc1ccc(N(=O)=O)cc1)([O-])Oc1ccc(N(=O)=O)cc1
Title of publication	Mononuclear Zn(II) and Cu(II) Complexes with a Simple Diamine Ligand: Synthesis, Structure, Phosphodiester Binding and DNA Cleavage Studies
Authors of publication	Shahul Hameed, Sabiah; Popuri, Sureshbabu; Tjakraatmadja, A.A.J Sudarga; Elavarasan, K.; Chittepu, Hanmandlu; Kulak, Nora
Journal of publication	RSC Adv.
Year of publication	2015
a	6.4876 ± 0.001 Å
b	12.225 ± 0.002 Å
c	13.363 ± 0.002 Å
α	91.909 ± 0.013°
β	98.916 ± 0.013°
γ	92.458 ± 0.013°
Cell volume	1045.2 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1541
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
180527 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96.	7219609.cif
132070	2015-02-19	cif/ Adding structures of 7219608, 7219609, 7219610 via cif-deposit CGI script.	7219609.cif