1 Selective cation and anion guest binding in host selenazamacrocycles Upali Patel, a Mohammed A. Abbas, a,b Colin D. McMillen, a and Julia L. Brumaghim a,* a Department of Chemistry, Clemson University, Clemson, SC 29634-0973, USA b Department of Chemistry, Thi Qar University, Nasiriyah, Thi Qar, Iraq SUPPLEMENTARY INFORMATION Page Experimental methods.............................................................................................................. 2 Figure S1. Calculated HOMO orbital surface for reduced macrocycle 6............................... 5 Table S1. Crystallographic data for complexes 7 and 8......................................................... 6 Table S2. Crystallographic data for solvent-free [C 32 H 28 FeN 4 Se 2 ][BF 4 ] 2 ............................. 7 Table S3. Selected bond lengths (Å) and angles (˚) for complexes 7 and 8........................... 8 Table S4. Selected bond lengths (Å) and angles (˚) for solvent-free [C 32 H 28 FeN 4 Se 2 ][BF 4 ] 2 8 Table S5. Hydrogen bond and close contact distances (Å) and angles (°) for 8..................... 9 Figures S2-S6. Supplemental crystal structure and packing diagrams for 7, 8, and solvent-free [C 32 H 28 FeN 4 Se 2 ][BF 4 ] 2 ........................................................................................ 9 Figures S7-S12. Characterization data (NMR, IR, UV-vis, and MS) for 7............................. 12 Figures S13-S19. Characterization data (NMR, IR, UV-vis, and MS) for 8........................... 15 References................................................................................................................................. 18 Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is © The Royal Society of Chemistry 2018