Crystallography Open Database

Information card for entry 4345323

Preview

Coordinates	4345323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cu2 N4 O6 S
Calculated formula	C20 H26 Cu2 N4 O6 S
Title of publication	New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.
Authors of publication	Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	6
Pages of publication	3532 - 3549
a	11.5547 ± 0.0003 Å
b	12.2256 ± 0.0003 Å
c	16.5508 ± 0.0004 Å
α	90°
β	96.3563 ± 0.0011°
γ	90°
Cell volume	2323.65 ± 0.1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
194815 (current)	2017-04-04	cif/ Updating files of 4345315, 4345316, 4345317, 4345318, 4345319, 4345320, 4345321, 4345322, 4345323, 4345324, 4345325, 4345326 Original log message: Adding full bibliography for 4345315--4345326.cif.	4345323.cif
192869	2017-03-04	cif/ Adding structures of 4345321, 4345322, 4345323, 4345324, 4345325, 4345326 via cif-deposit CGI script.	4345323.cif