Structure Summary for 4XUJ

Hanif, M., Meier, S.M., Adhireksan, Z., Henke, H., Martic, S., Labib, M., Kandioller, W., Jakupec, M.A., Kraatz, H.B., Davey, C.A., Keppler, B.K., Hartinger, C.G.
Contrasting Cytotoxicity and Reactivity of RuII-Arene Complexes of Morpholine vs Thiomorpholine Substituted 3-Hydroxy-2-pyridone Ligands
To Be Published, , pp. - , 0.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 21 21 21

Cell Constants:

a = 106.426 b = 109.754 c = 181.277 (Ångstroms)

α = 90.0 β = 90.0 γ = 90.0 (degrees)

Refinement:

The structure was refined using the REFMAC program. The R value is 0.265 for 33808 reflections in the resolution range 93.89 to 3.18 Ångstroms with Fobs > 0.0 sigma(Fobs) and with I > 0.0 sigma(I)

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Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Assembly coordinates (pdb format) 1

Structure Factors (cif format)

Coordinates (pdb format, Unix compressed(.gz))

Coordinates (cif format, Unix compressed(.gz))

NMR Restraints (cif format, Unix compressed(.gz))

XML | Complete with coordinates (xml format, GNU compressed(.gz))

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XML | Header only (xml format, GNU compressed(.gz))