Crystallography Open Database

Information card for entry 7056720

Preview

Coordinates	7056720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 B Cl Co F4 N4 O5
Calculated formula	C29 H27.004 B Cl Co F4 N4 O5.002
Title of publication	Investigation of cobalt(III)-tpa complexes as potential bioreductively activated carriers for naphthoquinone-based drugs
Authors of publication	Lanznaster, Mauricio; da Silva, Aline Farias Moreira; Vital, Renata de Uzeda; Martins, Daniela de Luna; Rocha, David Rodrigues; Ferreira, Glaucio Braga; Camargos-Resende, Jackson A. L.
Journal of publication	New J. Chem.
Year of publication	2017
a	10.3773 ± 0.0003 Å
b	8.6965 ± 0.0003 Å
c	33.1936 ± 0.0011 Å
α	90°
β	93.449 ± 0.003°
γ	90°
Cell volume	2990.17 ± 0.17 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	8
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	0.0761
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
202468 (current)	2017-11-01	cif/ Adding structures of 7056719, 7056720, 7056721 via cif-deposit CGI script.	7056720.cif