Crystallography Open Database

Information card for entry 7030058

Preview

Coordinates	7030058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 Cu2 N8 O16
Calculated formula	C46 H36 Cu2 N8 O16
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	8.739 ± 0.0017 Å
b	9.088 ± 0.0018 Å
c	17.536 ± 0.004 Å
α	99.75 ± 0.03°
β	94.3 ± 0.03°
γ	118.3 ± 0.03°
Cell volume	1189 ± 0.6 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	0.1355
Residual factor for significantly intense reflections	0.12
Weighted residual factors for significantly intense reflections	0.3304
Weighted residual factors for all reflections included in the refinement	0.3505
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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.	7030058.cif
111166	2014-04-20	cif/ Adding structures of 7030054, 7030055, 7030056, 7030057, 7030058, 7030059 via cif-deposit CGI script.	7030058.cif