Crystallography Open Database

Information card for entry 7046293

Preview

Coordinates	7046293.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound_9
Formula	C8 H13 Cu0.5 N4 O7 S
Calculated formula	C8 H13 Cu0.5 N4 O7 S
Title of publication	DNA interactions of non-chelating tinidazole-based coordination compounds and their structural, redox and cytotoxic properties.
Authors of publication	Castro-Ramírez, Rodrigo; Ortiz-Pastrana, Naytzé; Caballero, Ana B.; Zimmerman, Matthew T.; Stadelman, Bradley S.; Gaertner, Andrea A. E.; Brumaghim, Julia L.; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick; Barba-Behrens, Norah
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	22
Pages of publication	7551 - 7560
a	7.2258 ± 0.0005 Å
b	10.8229 ± 0.0008 Å
c	16.4296 ± 0.0012 Å
α	90°
β	90.376 ± 0.005°
γ	90°
Cell volume	1284.83 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
229259 (current)	2019-11-17	cif/ Updating files of 7046290, 7046291, 7046292, 7046293 Original log message: Adding full bibliography for 7046290--7046293.cif.	7046293.cif
207706	2018-05-09	cif/ Adding structures of 7046290, 7046291, 7046292, 7046293 via cif-deposit CGI script.	7046293.cif