Crystallography Open Database

Information card for entry 7057631

Preview

Coordinates	7057631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Cu N2 O6 S
Calculated formula	C22 H24 Cu N2 O6 S
Title of publication	Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation
Authors of publication	Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	18
Pages of publication	15170
a	5.754 ± 0.002 Å
b	9.595 ± 0.003 Å
c	19.723 ± 0.007 Å
α	90.663 ± 0.006°
β	91.571 ± 0.006°
γ	100.876 ± 0.006°
Cell volume	1068.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
230489 (current)	2019-11-17	cif/ Updating files of 7057629, 7057630, 7057631, 7057632, 7057633, 7057634, 7057635 Original log message: Adding full bibliography for 7057629--7057635.cif.	7057631.cif
209536	2018-08-10	cif/ Adding structures of 7057629, 7057630, 7057631, 7057632, 7057633, 7057634, 7057635 via cif-deposit CGI script.	7057631.cif