Crystallography Open Database

Information card for entry 1512887

Preview

Coordinates	1512887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H124 Cl6 Cu6 Mn2 N24 O67
Calculated formula	C132 H108 Cl6 Cu6 Mn2 N24 O67
Title of publication	Polynuclear complexes of a new macrocyclic oxamide metalloligand: Syntheses, crystal structures and deoxyribonucleic acid cleavage and magnetic properties
Authors of publication	Xiao-Ming Shi; Chang-Xin Li; Xiao-Zeng Li; Shi Ren; Li-Na Zhu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	197 - 202
a	22.266 ± 0.003 Å
b	22.266 ± 0.003 Å
c	10.33 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	4435.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	1512887.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512887.cif
91048	2013-12-03	cif/ Adding structures of 1512887 via cif-deposit CGI script.	1512887.cif