Crystallography Open Database

Information card for entry 1565688

Preview

Coordinates	1565688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl2 Cu2 N6 O12
Calculated formula	C30 H28 Cl2 Cu2 N6 O12
SMILES	c1(ccccc1)C1N[N]2=Cc3cc(ccc3[O]3[Cu]2([O]=1)([O]1c2c(C=[N]4[Cu]31([O]=C(N4)c1ccccc1)[OH]C)cc(cc2)Cl)[OH]C)Cl.O=N(=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	7.4839 ± 0.0013 Å
b	10.6238 ± 0.0018 Å
c	11.0673 ± 0.0019 Å
α	102.591 ± 0.003°
β	95.889 ± 0.002°
γ	98.472 ± 0.002°
Cell volume	841.1 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0353
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	1565688.cif