Table 1. Crystallographic Data of (−)-1, 2-OTf, (−)-3, (+)-3, and (−)-3′.
| (−)-1 | 2-OTf | (−)-3 | (+)-3 | (−)-3′ | |
|---|---|---|---|---|---|
| formula | C64H70Cl2N6O5Pt2 | C40H40F3N3O3PtS | C100H108Cl16N8O19Pt3 | C100H108Cl16N8O19Pt3 | C96H102Cl4N8O18Pt3 |
| Mr | 1464.34 | 894.90 | 2878.41 | 2878.41 | 2382.93 |
| cryst syst | monoclinic | monoclinic | orthorhombic | orthorhombic | orthorhombic |
| space group | P21 | C2/c | P21212 | P21212 | P21212 |
| a, Å | 7.321(4) | 19.598(6) | 17.1747(11) | 17.2735(14) | 19.4956(15) |
| b, Å | 27.917(13) | 18.956(6) | 31.1089(17) | 31.0196(17) | 21.2065(17) |
| c, Å | 14.261(8) | 10.500(3) | 11.8402(12) | 11.8157(12) | 11.5739(9) |
| α, deg | 90.00 | 90.00 | 90.00 | 90.00 | 90.00 |
| β, deg | 98.997(8) | 115.869(4) | 90.00 | 90.00 | 90.00 |
| γ, deg | 90.00 | 90.00 | 90.00 | 90.00 | 90.00 |
| V, Å3 | 2879(2) | 3509.9(19) | 6326.1(8) | 6331.1(9) | 4785.0(6) |
| Z | 2 | 4 | 2 | 2 | 2 |
| T, K | 296(2) | 296(2) | 291(2) | 291(2) | 291(2) |
| radiation λ, Å | 0.71073 | 0.71073 | 0.71073 | 0.71073 | 0.71073 |
| Dcalcd, g/cm–3 | 1.689 | 1.694 | 1.511 | 1.510 | 1.654 |
| μ, mm–1 | 5.003 | 4.117 | 3.707 | 3.704 | 4.557 |
| F(000) | 1452 | 1784 | 2844 | 2844 | 2360 |
| cryst size, mm3 | 0.20 × 0.08 × 0.04 | 0.20 × 0.15 × 0.10 | 0.28 × 0.20 × 0.18 | 0.27 × 0.23 × 0.17 | 0.26 × 0.22 × 0.20 |
| θ range, deg | 1.46–25.00 | 1.58–24.99 | 1.31–26.00 | 1.35–26.00 | 1.42–28.37 |
| no. of reflns measd | 20390 | 11475 | 37780 | 50622 | 33844 |
| no. of unique reflns | 9518 | 3075 | 12407 | 12412 | 11906 |
| Rint | 0.1269 | 0.0586 | 0.0246 | 0.0192 | 0.0509 |
| no. of reflns with F2 > 2σ(F2) | 6587 | 2867 | 10650 | 10804 | 10158 |
| no. of params | 594 | 264 | 691 | 691 | 624 |
| goodness-of-fit on F2 | 1.301 | 1.046 | 1.073 | 1.016 | 1.048 |
| R1 [F2 > 2σ(F2)] | 0.2044 | 0.0450 | 0.0498 | 0.0447 | 0.0494 |
| wR2 (all data) | 0.3894 | 0.1379 | 0.1242 | 0.1149 | 0.1272 |
| Δρmax, Δρmin, e Å–3 | 3.658, −3.440 | 1.427, −1.524 | 1.979, −1.828 | 1.693, −0.765 | 0.715, −1.577 |