Crystallography Open Database

Information card for entry 4033359

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Coordinates	4033359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28.5 N6.5 O2.5 Ru
Calculated formula	C30 H22 N6 O2 Ru
SMILES	[Ru]123(n4c(=O)cccc4c4n1c(=O)ccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1
Title of publication	Ruthenium Dihydroxybipyridine Complexes are Tumor Activated Prodrugs Due to Low pH and Blue Light Induced Ligand Release
Authors of publication	Kyle T. Hufziger; Fathima Shazna Thowfeik; David J. Charboneau; Ismael Nieto; William G. Dougherty; W. Scott Kassel; Timothy J. Dudley; Edward J. Merino; Elizabeth T. Papish; Jared J. Paul
Journal of publication	Journal of Inorganic Biochemistry
Year of publication	2014
Journal volume	130
Pages of publication	103 - 111
a	9.4108 ± 0.0007 Å
b	12.2807 ± 0.0009 Å
c	13.0032 ± 0.001 Å
α	84.343 ± 0.004°
β	88.748 ± 0.004°
γ	73.877 ± 0.004°
Cell volume	1436.63 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
205259 (current)	2018-01-16	cif/ Adding structures of 4033359 via cif-deposit CGI script.	4033359.cif