Crystallography Open Database

Information card for entry 7709246

Preview

Coordinates	7709246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H45 F6 N4 O3 P3 Ru S
Calculated formula	C54 H45 F6 N4 O3 P3 Ru S
Title of publication	Ruthenium(II)-diphosphine complexes containing acylthiourea ligands are effective against lung and breast cancers.
Authors of publication	Grawe, Gregory F.; Oliveira, Katia M.; Leite, Celisnolia M.; de Oliveira, Tamires D.; Honorato, João; Ferreira, Antonio G.; Castellano, Eduardo E.; Cominetti, Marcia R.; Correa, Rodrigo S.; Batista, Alzir A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1489 - 1501
a	19.3556 ± 0.0004 Å
b	22.3068 ± 0.0004 Å
c	23.0775 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	9964 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.288
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272695 (current)	2022-02-04	cif/ Updating files of 7709246 Original log message: Adding full bibliography for 7709246.cif.	7709246.cif
271929	2022-01-07	cif/ Adding structures of 7709246 via cif-deposit CGI script.	7709246.cif