Crystallography Open Database

Information card for entry 7705022

Preview

Coordinates	7705022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H49 B Cu F4 N O7 P2
Calculated formula	C49 H49 B Cu F4 N O7 P2
SMILES	[Cu]1([P](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)([P](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[O]=C(c2[n]1cccc2)C.[B](F)(F)(F)[F-]
Title of publication	New copper(I) complexes selective for prostate cancer cells.
Authors of publication	Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12273 - 12286
a	11.3647 ± 0.0007 Å
b	14.0498 ± 0.0009 Å
c	16.4417 ± 0.001 Å
α	104.108 ± 0.003°
β	108.859 ± 0.003°
γ	99.858 ± 0.003°
Cell volume	2318.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
257553 (current)	2020-10-06	cif/ Updating files of 7705020, 7705021, 7705022, 7705023, 7705024 Original log message: Adding full bibliography for 7705020--7705024.cif.	7705022.cif
254826	2020-08-05	cif/ Adding structures of 7705020, 7705021, 7705022, 7705023, 7705024 via cif-deposit CGI script.	7705022.cif