Crystallography Open Database

Information card for entry 7218693

Preview

Coordinates	7218693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H40 Cu F12 N7 O4 P2
Calculated formula	C37 H40 Cu F12 N7 O4 P2
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	20.97 ± 0.0007 Å
b	8.7014 ± 0.0004 Å
c	28.546 ± 0.001 Å
α	90°
β	91.07 ± 0.002°
γ	90°
Cell volume	5207.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1531
Residual factor for significantly intense reflections	0.0996
Weighted residual factors for significantly intense reflections	0.2543
Weighted residual factors for all reflections included in the refinement	0.2793
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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
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.	7218693.cif
126584	2014-11-07	cif/ Adding structures of 7218693, 7218694 via cif-deposit CGI script.	7218693.cif