Table 1. Crystallographic Data and Data Collection Parameters for 1–7.
| compound | 1 | 2 | 3 | 5 | 6 | 7 |
|---|---|---|---|---|---|---|
| formula weight | 930.68 | 814.56 | 842.58 | 1316.79 | 1403.87 | 1322.5 |
| temperature (K) | 100(1) | 100(1) | 100(1) | 100(1) | 100(1) | 100(1) |
| wavelength (Å) | 0.71073 | 0.71073 | 0.71073 | 0.71073 | 0.71073 | 0.71073 |
| crystal system | triclinic | triclinic | orthorhombic | monoclinic | triclinic | monoclinic |
| space group | P1̅ | P1̅ | Pbca | P21/c | P1̅ | C21/c |
| a (Å) | 10.027(2) | 9.0705(5) | 12.2155(9) | 17.8520(7) | 12.058(3) | 18.0400(14) |
| b (Å) | 10.505(2) | 10.4979(6) | 18.9312(14) | 14.2227(5) | 12.438(3) | 11.5817(9) |
| c (Å) | 12.868(3) | 12.2680(7) | 20.4702(16) | 23.1741(9) | 21.422(6) | 35.591(3) |
| α (deg) | 86.037(12) | 94.399(3) | 90 | 90 | 93.087(16) | 90 |
| β (deg) | 72.800(10) | 106.772(3) | 90 | 97.147(2) | 101.598(14) | 103.789(4) |
| γ (deg) | 81.722(11) | 96.640(3) | 90 | 90 | 110.133(13) | 90 |
| V (Å3) | 1280.8(5) | 1103.51(11) | 4733.8(6) | 5750.5(4) | 2928.4(12) | 7221.9(10) |
| Z | 2 | 2 | 8 | 4 | 2 | 8 |
| ρcalcd. (mg/m3) | 1.207 | 1.226 | 1.182 | 1.573 | 1.592 | 1.216 |
| μ (mm–1) | 2.212 | 2.555 | 2.384 | 2.882 | 2.832 | 2.258 |
| F(000) | 496 | 432 | 1792 | 2736 | 1416 | 2816 |
| crystal size (mm3) | 0.24 × 0.10 × 0.10 | 0.16 × 0.14 × 0.12 | 0.30 × 0.30 × 0.20 | 0.30 × 0.14 × 0.08 | 0.20 × 0.10 × 0.02 | 0.12 × 0.08 × 0.06 |
| theta range (deg) | 1.66 to 26.73 | 2.47 to 29.57 | 1.99 to 28.34 | 1.68 to 27.88 | 1.76 to 26.02 | 2.11 to 27.88 |
| index ranges | –11 ≤ h≤12, | –12 ≤ h ≤ 12, | 0 ≤ h ≤ 16, | –23 ≤ h ≤ 22, | –14 ≤ h ≤ 14, | –22 ≤ h ≤ 23, |
| –13 ≤ k ≤ 13, | –14 ≤ k ≤ 14, | 0 ≤ k ≤ 25, | 0 ≤ k ≤ 18, | –15 ≤ k ≤ 15, | –15 ≤ k ≤ 0, | |
| –16 ≤ l ≤ 16 | –17 ≤ l ≤ 17 | 0 ≤ l ≤ 27 | 0 ≤ l ≤ 30 | 0 ≤ l ≤ 26 | –21 ≤ l ≤ 46 | |
| indep. refl. (Rint) | 5366 (0.0000) | 6067 (0.0408) | 5873 (0.0000) | 13,714 (0.0000) | 11,446 (0.0000) | 8578 (0.0761) |
| parameters | 246 | 201 | 200 | 701 | 733 | 346 |
| GOF on F2 | 1.105 | 0.966 | 1.045 | 1.035 | 1.013 | 1.026 |
| R1 [I > 2σ(I)] (a) | 0.0553 | 0.0553 | 0.0346 | 0.0566 | 0.0628 | 0.0527 |
| wR2 [I > 2σ(I)] (b) | 0.1473 | 0.1362 | 0.0783 | 0.1454 | 0.175 | 0.1219 |