S1 Supporting Information Lanthanide(III) complexes of bis(phosphonate) monoamide analogues of DOTA: bone seeking agents for imaging and therapy Tomáš Vitha 1,2 , Vojtěch Kubíček 2 , Petr Hermann 2 , Luce Vander Elst 3 , Robert N. Muller 3 , Zvonimir I. Kolar 4 , Hubert T. Wolterbeek 4 , Wouter A.P. Breeman 5 , Ivan Lukeš 2* and Joop A. Peters 1* 1 Biocatalysis and Organic Chemistry, Delft University of Technology, Julianalaan 136, 2628 BL Delft, The Netherlands 2 Department of Inorganic Chemistry, Charles University, Hlavova 8, 128 40 Prague, Czech Republic 3 Department of General, Organic and Biomedical Chemistry, NMR and Molecular Imaging Laboratory, University of Mons Hainaut, B-7000, Mons, Belgium 4 Department of Radiation, Radionuclides & Reactors, Faculty of Applied Sciences, Delft University of Technology, 2629 JB Delft, The Netherlands 5 Department of Nuclear Medicine, Erasmus MC, 3015 GD Rotterdam, The Netherlands CONTENTS Figure S1. 1 H NMR spectra of Eu-2b and Yb-2b S2 Figure S2. Molecular model of [Yb(H 2 O)(H2b)] 3– S2 Figure S3. 31 P NMR titration curves of Yb-2a and Yb-2b S3 Figure S4. The temperature dependence of reduced 17 O chemical shifts, Transverse, longitudinal relaxation rates, and 1 H NMRD profile of Gd-2a S4 Figure S5. The temperature dependence of reduced 17 O chemical shifts, Transverse, longitudinal relaxation rates, and 1 H NMRD profile of Gd-2b S5 Figure S6. SPECT/CT images of rats after injection 177 Lu-2a and 177 Lu-2b S6 Figure S7. Ex vivo radiographs of the femur of Lewis rat after injection of 177 Lu-2a. S7 Figure S8. Ex vivo radiographs of the femur of Lewis rat after injection of 177 Lu-2b. S8 Figure S9. Ex vivo radiographs of the kidneys of Lewis rat after injection of 177 LuCl 3 , 177 Lu-3, and 177 Lu-2b. S9 Table S1. Parameters governing the relaxivity of Gd-2a and Gd-2 S10 Table S2. Elemental analyses of the bone targeting ligands 2a and 2b. S10 References S11