Table 1. Bond Lengths and Angles of Interest for Complex Cu1 and Models [Cu(dipp)2]+ and [Cu(dtbp)2]+ Obtained by X-ray Scattering.
parameter | [Cu(dipp)2]+(BF4–)19 | [Cu(dtbp)2]+(BF4–)15 | Cu1(PF6) |
---|---|---|---|
distances (Å) | |||
Cu–N1A | 2.083 | 2.104(2) | 2.057(4) |
Cu–N2A | 2.017 | 2.111(2) | 2.122(4) |
Cu–N1B | 2.067 | 2.108(2) | 2.031(4) |
Cu–N2B | 2.030 | 2.105(2) | 2.207(4) |
angles (deg) | |||
N1A–Cu–N2A | 82.25 | 84.53 | 82.09(14) |
N1A–Cu–N1B | 107.35 | 123.26 | 120.32(15) |
N1A–Cu–N2B | 118.71 | 122.92 | 126.36(14) |
N2A–Cu–N1B | 128.97 | 121.37 | 126.10(15) |
N2A–Cu–N2B | 138.38 | 124.93 | 126.94(13) |
N1B–Cu–N2B | 81.52 | 84.82 | 81.06(16) |
θx | 82.2 | 88.6 | 87.2 |
θy | 72.5 | 90.0 | 87.4 |
θz | 85.4 | 91.8 | 87.3 |
τ4(18) | 0.66 | 0.79 | 0.76 |