Crystallography Open Database

Information card for entry 1512662

Preview

Coordinates	1512662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 Cl Cu N3 O5
Calculated formula	C8 H16 Cl Cu N3 O5
Title of publication	Novel tetranuclear distorted open-cubane copper complex containing oximate bridges: Synthesis, crystal structure, DNA binding and cleavage activity
Authors of publication	Haribabu Pagonda; P. Patil Yogesh; Hussain Reddy Katreddi; Nethaji Munirathinam
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	478 - 484
a	13.798 ± 0.004 Å
b	13.798 ± 0.004 Å
c	14.119 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2688 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512662.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512662.cif
89918	2013-11-15	cif/ Adding structures of 1512662 via cif-deposit CGI script.	1512662.cif