Crystallography Open Database

Information card for entry 1518373

Preview

Coordinates	1518373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 Cl F6 N2 O P2 Ru
Calculated formula	C34 H33 Cl F6 N2 O P2 Ru
Title of publication	In vitro and in vivo evaluation of water-soluble iminophosphorane ruthenium(II) compounds. A potential chemotherapeutic agent for triple negative breast cancer.
Authors of publication	Frik, Malgorzata; Martínez, Alberto; Elie, Benelita T.; Gonzalo, Oscar; Ramírez de Mingo, Daniel; Sanaú, Mercedes; Sánchez-Delgado, Roberto; Sadhukha, Tanmoy; Prabha, Swayam; Ramos, Joe W.; Marzo, Isabel; Contel, María
Journal of publication	Journal of medicinal chemistry
Year of publication	2014
Journal volume	57
Journal issue	23
Pages of publication	9995 - 10012
a	37.882 ± 0.0015 Å
b	10.817 ± 0.0005 Å
c	17.854 ± 0.0004 Å
α	90°
β	108.766 ± 0.002°
γ	90°
Cell volume	6927.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518373.cif
131360	2015-02-07	cif/ Updating files of 1518373 Original log message: Adding full bibliography for 1518373.cif.	1518373.cif
128311	2014-12-06	cif/ Adding structures of 1518373 via cif-deposit CGI script.	1518373.cif