Crystallography Open Database

Information card for entry 7716400

Preview

Coordinates	7716400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 F6 N4 P3 Ru S
Calculated formula	C40 H33 F6 N4 P3 Ru S
Title of publication	Exploring the potential of ruthenium(II)-phosphine-mercapto complexes as new anticancer agents.
Authors of publication	Palmeira-Mello, Marcos V; Costa, Analu R.; de Oliveira, Leticia P.; Blacque, Olivier; Gasser, Gilles; Batista, Alzir A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	26
Pages of publication	10947 - 10960
a	8.6695 ± 0.0001 Å
b	15.3305 ± 0.0001 Å
c	29.1301 ± 0.0002 Å
α	90°
β	91.951 ± 0.001°
γ	90°
Cell volume	3869.37 ± 0.06 Å³
Cell temperature	160 ± 0.1 K
Ambient diffraction temperature	160 ± 0.1 K
Number of distinct elements	7
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	0.0252
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293031 (current)	2024-07-05	cif/ Updating files of 7716400 Original log message: Adding full bibliography for 7716400.cif.	7716400.cif
292485	2024-06-21	cif/ Adding structures of 7716400 via cif-deposit CGI script.	7716400.cif