Crystallography Open Database

Information card for entry 7056721

Preview

Coordinates	7056721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 B Br Co F4 N4 O5
Calculated formula	C29 H27.002 B Br Co F4 N4 O5.001
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	10.23899 ± 0.00016 Å
b	8.76417 ± 0.00012 Å
c	33.1396 ± 0.0004 Å
α	90°
β	93.9895 ± 0.0013°
γ	90°
Cell volume	2966.62 ± 0.07 Å³
Cell temperature	149.8 ± 0.2 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	0.0486
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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.	7056721.cif