Single Crystal X-Ray Structure Determination of Compounds 8a, 8b and 11a

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Single Crystal X-Ray Structure Determination of Compounds 8a, 8b and 11a General: Preliminary examination and data collection were carried out on an area detecting system (Kappa-CCD; Nonius) using graphite-monochromated Mo K α radiation (λ = 0.71073 Å) with an Oxford Cryosystems cooling system at the window of a sealed fine-focus X-ray tube. The reflections were integrated. Raw data were corrected for Lorentz, polarization, decay, and absorption effects. The absorption correction was applied using SADABS. I After merging, the independent reflections were used for all calculations. The structure was solved by a combination of direct methods II and difference Fourier syntheses. III All non-hydrogen atom positions were refined with anisotropic displacement parameters. Hydrogen atoms were placed in ideal positions using the SHELXL riding model. Full-matrix least-squares refinements were carried out by minimizing Σw(F 2 o - F 2 c ) 2 with the SHELXL-97 weighting scheme and stopped at shift/err < 0.001. Neutral-atom scattering factors for all atoms and anomalous dispersion corrections for the non-hydrogen atoms were taken from ref V. All calculations were performed with the programs COLLECT, VI DIRAX, VII EVALCCD, VIII SIR92, II SADABS, I PLATON, IX and the SHELXL-97 package. III,IV For visualization Mercury X and PLATON IX and for the preparation of supporting material ENCIFER XI and PLATON IX were used. [I] Sheldrick, G. M. SADABS, Version 2.10; University of Göttingen, Göttingen, Germany, 2002. [II] Altomare, A.; Cascarano, G.; Giacovazzo, C.; Guagliardi, A.; Burla, M. C.; Polidori, G.; Camalli M. "SIR92", J. Appl. Cryst. 1994, 27, 435-436. [III] Sheldrick, G. M. Acta Crystallogr., Sect. A: Found. Crystallogr. 2008, A64, 112. [IV] Sheldrick, G. M. "SHELXL-97", University of Göttingen, Göttingen, Germany, (1998). [V] International Tables for Crystallography, Vol. C, Tables 6.1.1.4 (pp. 500-502), 4.2.6.8 (pp. 219-222), and 4.2.4.2 (pp. 193-199), Wilson, A. J. C., Ed., Kluwer Academic Publishers, Dordrecht, The Netherlands, 1992. [VI] Hooft, R. W. W. COLLECT Data Collection Software for Nonius-Kappa CCD; Nonius BV., Delft, The Netherlands, 1999. [VII] Duisenberg, A. J. M. J. Appl. Crystallogr. 1992, 25, 92. [VIII] Duisenberg, A. J. M.; Kroon-Batenburg, L. M. J.; Schreurs, A. M. M., J. Appl. Crystallogr. 2003, 36, 220. [IX] Spek, A. L. "PLATON", A Multipurpose Crystallographic Tool, Utrecht University, Utrecht, The Netherlands, (2010). [X] Macrae, C. F.; Bruno, I. J.; Chisholm, J. A.; Edgington, P. R.; McCabe, P.; Pidcock, E.; Rodriguez-Monge, L.; Taylor, R.; van de Streek, J.; Wood, P. A. J. Appl. Crystallogr. 2008, 41, 466. [XI] Allen, F. H.; Johnson, O.; Shields, G. P.; Smith, B. R.; Towler, M. J. Appl. Crystallogr. 2004, 37, 335. S1

Compound 8a Table S1 - Crystal Data and Details of the Structure Determination for: Compound 8a Crystal Data Formula C14 H14 Br2 N4 Pd Formula Weight 504.49 Crystal System Orthorhombic Space group Pna21 (No. 33) a, b, c [Angstrom] 12.4150(9) 9.508(2) 14.0530(17) V [Ang**3] 1658.8(4) Z 4 D(calc) [g/cm**3] 2.020 Mu(MoKa) [ /mm ] 5.934 F(000) 968 Crystal Size [mm] 0.20 x 0.20 x 0.20 Data Collection Temperature (K) 198 Radiation [Angstrom] MoK 0.71073 Theta Min-Max [Deg] 4.8, 25.4 Dataset -14: 14 ; -11: 11 ; -16: 16 Tot., Uniq. Data, R(int) 11505, 3005, 0.031 Observed data [I > 2.0 sigma(i)] 2748 Refinement Nref, Npar 3005, 192 R, wr2, S 0.0205, 0.0375, 1.06 w = 1/[\s^2^(Fo^2^)+(0.0000P)^2^] where P=(Fo^2^+2Fc^2^)/3 Max. and Av. Shift/Error 0.01, 0.00 Flack x 0.025(7) Min. and Max. Resd. Dens. [e/ang^3] -0.33, 0.33 Table S2 - Bond Distances (Angstrom) for: Compound 8a Pd1 -Br1 2.4960(6) C5 -C6 1.376(5) Pd1 -Br2 2.4885(8) C6 -C7 1.380(6) Pd1 -C1 1.965(4) C7 -C8 1.385(5) Pd1 -C10 1.958(3) C8 -C9 1.385(5) N1 -C1 1.336(4) C11 -C12 1.348(6) N1 -C2 1.386(4) C2 -H2 0.9500 N1 -C13 1.459(5) C3 -H3 0.9500 N2 -C1 1.362(5) C5 -H5 0.9500 N2 -C3 1.399(4) C6 -H6 0.9500 N2 -C4 1.424(4) C7 -H7 0.9500 N3 -C9 1.426(4) C8 -H8 0.9500 N3 -C10 1.359(4) C11 -H11 0.9500 N3 -C12 1.404(5) C12 -H12 0.9500 N4 -C10 1.339(4) C13 -H13A 0.9800 N4 -C11 1.387(5) C13 -H13B 0.9800 N4 -C14 1.465(5) C13 -H13C 0.9800 C2 -C3 1.349(5) C14 -H14A 0.9800 C4 -C5 1.389(5) C14 -H14B 0.9800 C4 -C9 1.392(5) C14 -H14C 0.9800 S2

Table S3 - Bond Angles (Degrees) for: Compound 8a Br1 -Pd1 -Br2 94.10(2) Pd1 -C10 -N3 124.3(2) Br1 -Pd1 -C1 91.65(10) Pd1 -C10 -N4 130.3(3) Br1 -Pd1 -C10 174.91(13) N3 -C10 -N4 105.4(2) Br2 -Pd1 -C1 172.78(8) N4 -C11 -C12 107.3(3) Br2 -Pd1 -C10 90.67(12) N3 -C12 -C11 106.0(3) C1 -Pd1 -C10 83.45(15) N1 -C2 -H2 126.00 C1 -N1 -C2 111.0(3) C3 -C2 -H2 126.00 C1 -N1 -C13 124.4(3) N2 -C3 -H3 127.00 C2 -N1 -C13 124.7(3) C2 -C3 -H3 127.00 C1 -N2 -C3 110.2(3) C4 -C5 -H5 120.00 C1 -N2 -C4 124.9(3) C6 -C5 -H5 120.00 C3 -N2 -C4 124.9(3) C5 -C6 -H6 120.00 C9 -N3 -C10 125.0(3) C7 -C6 -H6 120.00 C9 -N3 -C12 124.5(3) C6 -C7 -H7 120.00 C10 -N3 -C12 110.3(3) C8 -C7 -H7 120.00 C10 -N4 -C11 111.0(3) C7 -C8 -H8 120.00 C10 -N4 -C14 125.2(3) C9 -C8 -H8 120.00 C11 -N4 -C14 123.7(3) N4 -C11 -H11 126.00 Pd1 -C1 -N1 129.2(3) C12 -C11 -H11 126.00 Pd1 -C1 -N2 125.3(2) N3 -C12 -H12 127.00 N1 -C1 -N2 105.5(3) C11 -C12 -H12 127.00 N1 -C2 -C3 107.3(3) N1 -C13 -H13A 110.00 N2 -C3 -C2 106.1(3) N1 -C13 -H13B 109.00 N2 -C4 -C5 119.1(3) N1 -C13 -H13C 110.00 N2 -C4 -C9 121.3(3) H13A -C13 -H13B 109.00 C5 -C4 -C9 119.7(3) H13A -C13 -H13C 109.00 C4 -C5 -C6 120.3(4) H13B -C13 -H13C 109.00 C5 -C6 -C7 120.3(4) N4 -C14 -H14A 109.00 C6 -C7 -C8 119.8(4) N4 -C14 -H14B 110.00 C7 -C8 -C9 120.4(4) N4 -C14 -H14C 110.00 N3 -C9 -C4 122.3(3) H14A -C14 -H14B 109.00 N3 -C9 -C8 118.1(3) H14A -C14 -H14C 109.00 C4 -C9 -C8 119.6(3) H14B -C14 -H14C 109.00 Figure F1 Ortep drawing with 50% ellipsoids for: Compound 8a S3

Compound 8b Table S4 - Crystal Data and Details of the Structure Determination for: Compound 8b Crystal Data Formula C22 H18 Br2 N4 Pd, 2(C2 H3 N) Formula Weight 686.71 Crystal System Triclinic Space group P-1 (No. 2) a, b, c [Angstrom] 9.7310(12) 10.752(2) 13.9470(7) alpha, beta, gamma [deg] 96.085(9) 103.753(6) 98.478(15) V [Ang**3] 1386.7(3) Z 2 D(calc) [g/cm**3] 1.645 Mu(MoKa) [ /mm ] 3.576 F(000) 676 Crystal Size [mm] 0.19 x 0.19 x 0.33 Data Collection Temperature (K) 198 Radiation [Angstrom] MoK 0.71073 Theta Min-Max [Deg] 2.7, 26.4 Dataset -12: 11 ; -13: 13 ; 0: 17 Tot., Uniq. Data, R(int) 5686, 5686, 0.000 Observed data [I > 2.0 sigma(i)] 4437 Refinement Nref, Npar 5686, 320 R, wr2, S 0.0308, 0.0576, 1.05 w = 1/[\s^2^(Fo^2^)+(0.0203P)^2^+1.4433P] where P=(Fo^2^+2Fc^2^)/3 Max. and Av. Shift/Error 0.00, 0.00 Min. and Max. Resd. Dens. [e/ang^3] -0.54, 0.50 The unit cell contains 1 disordered acetonitrile molecule which has been treated as a diffuse contribution to the overall scattering without specific atom positions by SQUEEZE/PLATON. IX Table S5 - Bond Distances (Angstrom) for: Compound 8b Pd1 -Br1 2.4705(6) C14 -C15 1.405(4) Pd1 -Br2 2.4924(6) C15 -C16 1.374(4) Pd1 -C1 1.957(3) C17 -C18 1.368(6) Pd1 -C10 1.964(3) C18 -C19 1.388(6) N1 -C1 1.339(3) C19 -C20 1.390(5) N1 -C2 1.397(4) C5 -H5 0.9500 N1 -C21 1.461(4) C6 -H6 0.9500 N2 -C1 1.361(4) C7 -H7 0.9500 N2 -C3 1.408(4) C8 -H8 0.9500 N2 -C4 1.425(3) C13 -H13 0.9500 N3 -C9 1.427(4) C14 -H14 0.9500 N3 -C10 1.359(4) C15 -H15 0.9500 N3 -C12 1.402(4) C16 -H16 0.9500 N4 -C10 1.342(4) C17 -H17 0.9500 N4 -C11 1.389(4) C18 -H18 0.9500 N4 -C22 1.458(5) C19 -H19 0.9500 N5 -C24 1.128(5) C20 -H20 0.9500 N6 -C26 1.124(6) C21 -H21C 0.9800 C2 -C13 1.384(4) C21 -H21A 0.9800 S4

C2 -C3 1.389(4) C21 -H21B 0.9800 C3 -C16 1.379(4) C22 -H22C 0.9800 C4 -C9 1.396(4) C22 -H22A 0.9800 C4 -C5 1.384(4) C22 -H22B 0.9800 C5 -C6 1.386(4) C23 -C24 1.462(6) C6 -C7 1.381(4) C23 -H23B 0.9800 C7 -C8 1.375(4) C23 -H23C 0.9800 C8 -C9 1.386(4) C23 -H23A 0.9800 C11 -C12 1.396(5) C25 -C26 1.458(6) C11 -C17 1.379(5) C25 -H25A 0.9800 C12 -C20 1.385(5) C25 -H25B 0.9800 C13 -C14 1.374(4) C25 -H25C 0.9800 Table S6 - Bond Angles (Degrees) for: Compound 8b Br1 -Pd1 -Br2 94.52(2) C18 -C19 -C20 121.8(4) Br1 -Pd1 -C1 90.53(9) C12 -C20 -C19 116.0(3) Br1 -Pd1 -C10 172.66(9) C4 -C5 -H5 120.00 Br2 -Pd1 -C1 174.83(10) C6 -C5 -H5 120.00 Br2 -Pd1 -C10 92.54(9) C5 -C6 -H6 120.00 C1 -Pd1 -C10 82.45(13) C7 -C6 -H6 120.00 C1 -N1 -C2 110.8(2) C6 -C7 -H7 120.00 C1 -N1 -C21 124.8(2) C8 -C7 -H7 120.00 C2 -N1 -C21 124.4(2) C7 -C8 -H8 120.00 C1 -N2 -C3 110.4(2) C9 -C8 -H8 120.00 C1 -N2 -C4 124.3(2) C2 -C13 -H13 122.00 C3 -N2 -C4 125.4(2) C14 -C13 -H13 122.00 C9 -N3 -C10 124.8(2) C13 -C14 -H14 119.00 C9 -N3 -C12 125.3(3) C15 -C14 -H14 119.00 C10 -N3 -C12 109.9(3) C14 -C15 -H15 119.00 C10 -N4 -C11 110.6(3) C16 -C15 -H15 119.00 C10 -N4 -C22 125.2(3) C3 -C16 -H16 122.00 C11 -N4 -C22 124.1(2) C15 -C16 -H16 122.00 Pd1 -C1 -N1 128.9(2) C11 -C17 -H17 122.00 Pd1 -C1 -N2 124.20(19) C18 -C17 -H17 122.00 N1 -C1 -N2 106.7(2) C17 -C18 -H18 119.00 N1 -C2 -C3 106.8(2) C19 -C18 -H18 119.00 N1 -C2 -C13 131.6(3) C18 -C19 -H19 119.00 C3 -C2 -C13 121.7(3) C20 -C19 -H19 119.00 N2 -C3 -C2 105.4(2) C12 -C20 -H20 122.00 N2 -C3 -C16 132.6(2) C19 -C20 -H20 122.00 C2 -C3 -C16 122.0(3) N1 -C21 -H21A 109.00 N2 -C4 -C5 119.8(3) N1 -C21 -H21B 109.00 N2 -C4 -C9 120.6(3) N1 -C21 -H21C 109.00 C5 -C4 -C9 119.6(3) H21A -C21 -H21B 110.00 C4 -C5 -C6 120.1(3) H21A -C21 -H21C 109.00 C5 -C6 -C7 120.1(3) H21B -C21 -H21C 110.00 C6 -C7 -C8 120.2(3) N4 -C22 -H22A 110.00 C7 -C8 -C9 120.3(3) N4 -C22 -H22B 109.00 N3 -C9 -C4 120.7(2) N4 -C22 -H22C 109.00 N3 -C9 -C8 119.6(3) H22A -C22 -H22B 109.00 C4 -C9 -C8 119.7(3) H22A -C22 -H22C 109.00 Pd1 -C10 -N3 124.1(2) H22B -C22 -H22C 109.00 Pd1 -C10 -N4 128.6(2) N5 -C24 -C23 179.7(4) N3 -C10 -N4 107.2(3) C24 -C23 -H23A 109.00 N4 -C11 -C12 106.6(3) C24 -C23 -H23B 109.00 N4 -C11 -C17 131.3(3) C24 -C23 -H23C 110.00 C12 -C11 -C17 122.2(3) H23A -C23 -H23B 109.00 N3 -C12 -C11 105.8(3) H23A -C23 -H23C 109.00 N3 -C12 -C20 132.7(3) H23B -C23 -H23C 109.00 C11 -C12 -C20 121.4(3) N6 -C26 -C25 179.0(5) S5

C2 -C13 -C14 116.6(3) C26 -C25 -H25A 109.00 C13 -C14 -C15 121.5(3) C26 -C25 -H25B 109.00 C14 -C15 -C16 121.7(3) C26 -C25 -H25C 109.00 C3 -C16 -C15 116.5(3) H25A -C25 -H25B 109.00 C11 -C17 -C18 116.2(3) H25A -C25 -H25C 110.00 C17 -C18 -C19 122.4(3) H25B -C25 -H25C 109.00 Figure F2 Ortep drawing with 50% ellipsoids for: Compound 8b Compound 11a Table S7 - Crystal Data and Details of the Structure Determination for: Compound 11a Crystal Data Formula 2(C26 H21 Br4 N4 Pd), 3(C H2 Cl2) Formula Weight 1885.71 Crystal System Orthorhombic Space group Pbcn (No. 60) a, b, c [Angstrom] 21.297(2) 18.653(5) 15.986(4) V [Ang**3] 6351(2) Z 4 D(calc) [g/cm**3] 1.972 Mu(MoKa) [ /mm ] 5.896 F(000) 3632 Crystal Size [mm] 0.15 x 0.20 x 0.20 Data Collection Temperature (K) 198 Radiation [Angstrom] MoK 0.71073 Theta Min-Max [Deg] 4.8, 26.4 Dataset -26: 26 ; -23: 23 ; -19: 20 Tot., Uniq. Data, R(int) 148489, 6472, 0.074 Observed data [I > 2.0 sigma(i)] 4896 Refinement Nref, Npar 6472, 357 R, wr2, S 0.0321, 0.0537, 1.09 w = 1/[\s^2^(Fo^2^)+(0.0056P)^2^+16.6044P] where P=(Fo^2^+2Fc^2^)/ Max. and Av. Shift/Error 0.00, 0.00 Min. and Max. Resd. Dens. [e/ang^3] -0.72, 0.69 S6

Table S8 - Bond Distances (Angstrom) for: Compound 11a Pd1 -Br1 2.4817(8) C17 -C18 1.383(8) Pd1 -Br2 2.4842(8) C18 -C19 1.380(7) Pd1 -C1 1.961(3) C20 -C21 1.510(5) Pd1 -C10 1.975(3) C21 -C26 1.373(5) Br3 -C6 1.891(4) C21 -C22 1.377(6) Br4 -C7 1.883(4) C22 -C23 1.374(8) Cl1 -C27 1.748(10) C23 -C24 1.380(10) Cl2 -C27 1.738(8) C24 -C25 1.353(11) Cl3 -C28 1.737(5) C25 -C26 1.389(8) N1 -C2 1.390(4) C2 -H2 0.9500 N1 -C1 1.341(4) C3 -H3 0.9500 N1 -C13 1.477(4) C5 -H5 0.9500 N2 -C3 1.398(4) C8 -H8 0.9500 N2 -C4 1.426(4) C11 -H11 0.9500 N2 -C1 1.361(4) C12 -H12 0.9500 N3 -C12 1.393(5) C13 -H13B 0.9900 N3 -C10 1.364(4) C13 -H13A 0.9900 N3 -C9 1.423(5) C15 -H15 0.9500 N4 -C20 1.478(4) C16 -H16 0.9500 N4 -C11 1.382(5) C17 -H17B 0.9900 N4 -C10 1.345(5) C17 -H17A 0.9900 C2 -C3 1.335(5) C18 -H18 0.9500 C4 -C9 1.401(5) C19 -H19 0.9500 C4 -C5 1.383(5) C20 -H20B 0.9900 C5 -C6 1.381(5) C20 -H20A 0.9900 C6 -C7 1.375(5) C22 -H22 0.9500 C7 -C8 1.385(5) C23 -H23 0.9500 C8 -C9 1.386(5) C24 -H24 0.9500 C11 -C12 1.336(5) C25 -H25 0.9500 C13 -C14 1.508(5) C26 -H26 0.9500 C14 -C19 1.391(6) C27 -H27A 0.9900 C14 -C15 1.377(6) C27 -H27B 0.9900 C15 -C16 1.373(8) C28 -H28A 0.9900 C16 -C17 1.369(9) C28 -H28B 0.9900 Table S9 - Bond Angles (Degrees) for: Compound 11a Br1 -Pd1 -Br2 92.12(2) C22 -C23 -C24 119.5(5) Br1 -Pd1 -C1 90.59(10) C23 -C24 -C25 120.4(6) Br1 -Pd1 -C10 174.07(10) C24 -C25 -C26 120.0(6) Br2 -Pd1 -C1 176.39(9) C21 -C26 -C25 120.3(5) Br2 -Pd1 -C10 91.73(9) N1 -C2 -H2 126.00 C1 -Pd1 -C10 85.39(13) C3 -C2 -H2 126.00 C1 -N1 -C2 111.1(3) N2 -C3 -H3 127.00 C1 -N1 -C13 125.1(3) C2 -C3 -H3 127.00 C2 -N1 -C13 123.6(3) C4 -C5 -H5 120.00 C1 -N2 -C3 110.6(3) C6 -C5 -H5 120.00 C1 -N2 -C4 124.4(3) C7 -C8 -H8 120.00 C3 -N2 -C4 124.5(3) C9 -C8 -H8 120.00 C9 -N3 -C10 124.7(3) N4 -C11 -H11 126.00 C9 -N3 -C12 124.0(3) C12 -C11 -H11 126.00 C10 -N3 -C12 110.8(3) N3 -C12 -H12 127.00 C10 -N4 -C11 110.9(3) C11 -C12 -H12 127.00 C10 -N4 -C20 125.1(3) N1 -C13 -H13A 109.00 C11 -N4 -C20 123.9(3) N1 -C13 -H13B 109.00 Pd1 -C1 -N1 130.6(2) C14 -C13 -H13A 109.00 Pd1 -C1 -N2 124.6(2) C14 -C13 -H13B 109.00 N1 -C1 -N2 104.7(3) H13A -C13 -H13B 108.00 S7

N1 -C2 -C3 107.2(3) C14 -C15 -H15 120.00 N2 -C3 -C2 106.4(3) C16 -C15 -H15 120.00 N2 -C4 -C5 118.4(3) C15 -C16 -H16 120.00 N2 -C4 -C9 122.1(3) C17 -C16 -H16 120.00 C5 -C4 -C9 119.6(3) C16 -C17 -H17A 107.00 C4 -C5 -C6 120.3(3) C16 -C17 -H17B 107.00 Br3 -C6 -C5 117.8(3) C18 -C17 -H17A 107.00 Br3 -C6 -C7 121.5(3) C18 -C17 -H17B 107.00 C5 -C6 -C7 120.5(3) H17A -C17 -H17B 107.00 Br4 -C7 -C6 122.4(3) C17 -C18 -H18 120.00 Br4 -C7 -C8 117.9(3) C19 -C18 -H18 120.00 C6 -C7 -C8 119.6(3) C14 -C19 -H19 120.00 C7 -C8 -C9 120.7(3) C18 -C19 -H19 120.00 N3 -C9 -C4 123.0(3) N4 -C20 -H20A 109.00 N3 -C9 -C8 117.9(3) N4 -C20 -H20B 109.00 C4 -C9 -C8 119.2(3) C21 -C20 -H20A 109.00 Pd1 -C10 -N3 123.8(3) C21 -C20 -H20B 109.00 Pd1 -C10 -N4 131.7(2) H20A -C20 -H20B 108.00 N3 -C10 -N4 104.5(3) C21 -C22 -H22 120.00 N4 -C11 -C12 107.7(3) C23 -C22 -H22 120.00 N3 -C12 -C11 106.0(3) C22 -C23 -H23 120.00 N1 -C13 -C14 113.0(3) C24 -C23 -H23 120.00 C13 -C14 -C15 120.9(3) C23 -C24 -H24 120.00 C13 -C14 -C19 120.2(3) C25 -C24 -H24 120.00 C15 -C14 -C19 118.9(4) C24 -C25 -H25 120.00 C14 -C15 -C16 120.9(5) C26 -C25 -H25 120.00 C15 -C16 -C17 119.9(5) C21 -C26 -H26 120.00 C16 -C17 -C18 120.4(5) C25 -C26 -H26 120.00 C17 -C18 -C19 119.5(5) Cl1 -C27 -Cl2 111.6(4) C14 -C19 -C18 120.3(4) Cl1 -C27 -H27A 109.00 N4 -C20 -C21 111.7(3) Cl1 -C27 -H27B 109.00 C20 -C21 -C22 121.2(4) Cl2 -C27 -H27A 109.00 C20 -C21 -C26 119.9(3) Cl2 -C27 -H27B 109.00 C22 -C21 -C26 119.0(4) H27A -C27 -H27B 108.00 C21 -C22 -C23 120.8(5) Cl3 -C28 -Cl3_a 110.7(4) Cl3 -C28 -H28A 110.00 Cl3_a -C28 -H28A 110.00 Cl3 -C28 -H28B 110.00 Cl3_a -C28 -H28B 110.00 H28A -C28 -H28B 108.00 Figure F3 Ortep drawing with 50% ellipsoids for: Compound 11a S8

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