Crystallography Open Database

Information card for entry 7030054

Preview

Coordinates	7030054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H48 Cu2 N12 O24
Calculated formula	C76 H48 Cu2 N12 O24
Title of publication	Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.
Authors of publication	Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	17
Pages of publication	6468 - 6479
a	8.7906 ± 0.0018 Å
b	9.799 ± 0.002 Å
c	20.206 ± 0.004 Å
α	101.78 ± 0.03°
β	95.46 ± 0.03°
γ	99.72 ± 0.03°
Cell volume	1664.2 ± 0.7 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
180006 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/00.	7030054.cif
111166	2014-04-20	cif/ Adding structures of 7030054, 7030055, 7030056, 7030057, 7030058, 7030059 via cif-deposit CGI script.	7030054.cif