Crystallography Open Database

Information card for entry 4349916

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Coordinates	4349916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H44 F6 N3 O4 P3 Ru
Calculated formula	C47 H44 F6 N3 O4 P3 Ru
Title of publication	Esterification of the free carboxylic group from the lutidinic acid ligand as a tool to improve the cytotoxicity of Ru(ii) complexes
Authors of publication	Honorato, João; Colina-Vegas, Legna; Correa, Rodrigo S.; Guedes, Adriana P. M.; Miyata, Marcelo; Pavan, Fernando R.; Ellena, Javier; Batista, Alzir A.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	2
Pages of publication	376
a	13.5183 ± 0.0004 Å
b	12.8666 ± 0.0003 Å
c	28.1285 ± 0.0007 Å
α	90°
β	100.746 ± 0.003°
γ	90°
Cell volume	4806.7 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
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	0.0782
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
236943 (current)	2019-11-24	cif/ Adding structures of 4349915, 4349916 via cif-deposit CGI script.	4349916.cif