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. 2023 Mar 2;28(5):2328. doi: 10.3390/molecules28052328

Figure 2.

Figure 2

ORTEP drawing of complex 10 (from 2a) with thermal ellipsoid plot shown at 50% probability level. Hydrogen atoms for the metalated phenyl ring and C=N groups are shown; the remaining hydrogen atoms and PF6 counterions have been omitted for clarity. Selected bond distances (Å) and angles (°) for 10: Pd(1)-C(2) 2.046(2), Pd(1)-N(5) 2.2869(19), Pd(1)-P(1) 2.3127(6), Pd(1)-P(2) 2.3416(6), Pd(1)-P(3) 2.3147(6), P(2)-Pd(1)-P(1) 85.06(2) P(2)-Pd(1)-P(3) 84.22(2) P(1)-Pd(1)-P(3) 122.09(2) P(2)-Pd(1)-N(5) 107.21(5) N(5)-Pd(1)-P(3) 120.29(5) P(1)-Pd(1)-N(5) 116.58(5) C(2)-Pd(1)-P(3) 93.36(6) C(2)-Pd(1)-P(2) 174.27(6) C(2)-Pd(1)-P(1) 91.93 (6) C(2)-Pd(1)-N(5) 78.50(8). Selected crystallographic data: a, 11.6509(4); b, 22.6116(9); c, 15.5974(7) Å. β, 96.339(1)°. Volume 4083.9(3) Å3. Z = 2. 2Θ range for data collection/° 4.52 to 52.74. Reflections collected, 86,534. Independent reflections, 8351 [Rint = 0.0539, Rsigma = 0.0256]. Final R indexes [I >= 2σ (I)] R1 = 0.0384, wR2 = 0.0903. Final R indexes [all data] R1 = 0.0460, wR2 = 0.0945.