Crystallography Open Database

Information card for entry 7044643

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Structure parameters

Formula	C30 H27 Br Cu N3 O5.5
Calculated formula	C30 H27 Br Cu N3 O5.5
SMILES	Brc1cc(OC)c2O[Cu]34(OC(=O)C([N]3=Cc2c1)Cc1ccccc1)[n]1cccc2c1c1[n]4cccc1cc2.O.OC
Title of publication	Synthesis, characterization, and anticancer activity of two mixed ligand copper(Ⅱ) complexes by regulating VEGF/VEGFR2 signaling pathway
Authors of publication	Qin, Xiuying; Wang, Ya-Nan; Yang, Xin-Ping; Liang, Juan-Juan; Liu, Ji-Lin; Luo, Zhao-Hui
Journal of publication	Dalton Transactions
Year of publication	2017
a	11.2337 ± 0.0018 Å
b	11.6733 ± 0.0018 Å
c	22.478 ± 0.004 Å
α	98.836 ± 0.003°
β	102.274 ± 0.003°
γ	93.903 ± 0.003°
Cell volume	2830.6 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0843
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7044643.cif
206489	2018-02-18	cif/7 Fixing some Z values and formulae	7044643.cif
202537	2017-11-03	cif/ Adding structures of 7044643, 7044644 via cif-deposit CGI script.	7044643.cif