Crystallography Open Database

Information card for entry 7218694

Preview

Coordinates	7218694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H48 Cu F24 N8 O2 P4
Calculated formula	C41 H48 Cu F24 N8 O2 P4
SMILES	[Cu]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)[n]1ccc(OCC[NH+]2CCCCC2)cc1c1[n]3ccc(OCC[NH+]2CCCCC2)c1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
Title of publication	New ternary Bipyridine-Terpyridine Copper(II) complexes as self-activating chemical nucleases
Authors of publication	Gama, Sofia; Rodrigues, Inês; Marques, Fernanda; Palma, Elisa; Correia, Isabel; Carvalho, M. Fernanda N.N.; Pessoa, João Costa; Cruz, Andreia; Mendo, Sónia; Santos, Isabel Cordeiro; Mendes, Filipa; Santos, Isabel; Paulo, Antonio
Journal of publication	RSC Adv.
Year of publication	2014
a	8.2891 ± 0.0007 Å
b	17.7944 ± 0.0008 Å
c	19.6703 ± 0.001 Å
α	78.996 ± 0.002°
β	85.893 ± 0.002°
γ	89.038 ± 0.002°
Cell volume	2840.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1326
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.216
Weighted residual factors for all reflections included in the refinement	0.2456
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
180517 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86.	7218694.cif
126584	2014-11-07	cif/ Adding structures of 7218693, 7218694 via cif-deposit CGI script.	7218694.cif