Crystallography Open Database

Information card for entry 1565689

Preview

Coordinates	1565689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 Br2 Cu2 N6 O12
Calculated formula	C32 H30 Br2 Cu2 N6 O12
SMILES	c1ccccc1C1N[N]2=Cc3cc(Br)ccc3[O]3[Cu]2([O]=1)([OH]CC)[O]1c2c(C=[N]4[Cu]31([O]=C(N4)c1ccccc1)[OH]CC)cc(Br)cc2.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Binuclear Schiff base copper(II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties
Authors of publication	Jiang, Shengshi; Ni, Honghui; Liu, Fen; Gu, Shanshan; Yu, Ping; Gou, Yi
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	499
Pages of publication	119186
a	9.4084 ± 0.0014 Å
b	14.848 ± 0.002 Å
c	13.645 ± 0.002 Å
α	90°
β	106.503 ± 0.002°
γ	90°
Cell volume	1827.6 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0516
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
271358 (current)	2021-12-13	cif/ Adding structures of 1565687, 1565688, 1565689 via cif-deposit CGI script.	1565689.cif