Crystallography Open Database

Information card for entry 4517345

Preview

Coordinates	4517345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Cl2 Cu2 N6 O10
Calculated formula	C34 H24 Cl2 Cu2 N6 O10
Title of publication	Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.
Authors of publication	Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier
Journal of publication	ACS combinatorial science
Year of publication	2020
a	11.1024 ± 0.0006 Å
b	9.8747 ± 0.0005 Å
c	16.2535 ± 0.001 Å
α	90°
β	105.997 ± 0.006°
γ	90°
Cell volume	1712.92 ± 0.17 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 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	0.0579
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247212 (current)	2020-01-25	cif/ Adding structures of 4517345 via cif-deposit CGI script.	4517345.cif