Crystallography Open Database

Information card for entry 7030055

Preview

Coordinates	7030055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cl2 Cu N8 O18
Calculated formula	C40 H32 Cl2 Cu N8 O18
SMILES	N1(C(=O)c2c3c(C1=O)ccc(c3ccc2)N(=O)=O)c1cc[n]([Cu]([N]#CC)([OH]C)([n]2ccc(N3C(=O)c4ccc(c5cccc(c45)C3=O)N(=O)=O)cc2)([N]#CC)[OH]C)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
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	15.707 ± 0.003 Å
b	8.125 ± 0.0016 Å
c	16.943 ± 0.003 Å
α	90°
β	99.55 ± 0.03°
γ	90°
Cell volume	2132.3 ± 0.7 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.183
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
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.	7030055.cif
111166	2014-04-20	cif/ Adding structures of 7030054, 7030055, 7030056, 7030057, 7030058, 7030059 via cif-deposit CGI script.	7030055.cif