Crystallography Open Database

Information card for entry 7219608

7219607 << 7219608 >> 7219609

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Structure parameters

Formula	C12 H28 Cl2 N4 O8 Zn
Calculated formula	C12 H28 Cl2 N4 O8 Zn
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	7.1131 ± 0.0003 Å
b	12.3658 ± 0.0008 Å
c	12.6629 ± 0.0008 Å
α	111.01 ± 0.006°
β	95.419 ± 0.004°
γ	94.912 ± 0.004°
Cell volume	1026.53 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219608.cif
180527	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.	7219608.cif
132070	2015-02-19	cif/ Adding structures of 7219608, 7219609, 7219610 via cif-deposit CGI script.	7219608.cif