Crystallography Open Database

Information card for entry 7705021

Preview

Coordinates	7705021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H37 B Cu F4 N O P2
Calculated formula	C43 H37 B Cu F4 N O P2
SMILES	[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[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	10.1481 ± 0.0006 Å
b	15.2715 ± 0.0008 Å
c	24.6619 ± 0.0013 Å
α	90°
β	90.862 ± 0.003°
γ	90°
Cell volume	3821.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7705021.cif
254826	2020-08-05	cif/ Adding structures of 7705020, 7705021, 7705022, 7705023, 7705024 via cif-deposit CGI script.	7705021.cif