Table 1.
X-ray crystallographic details for complexes 1–3, 6, and compound 7.
| Complex | 1 | 2 | 3 | 6 | 7 |
|---|---|---|---|---|---|
| formula | C52H46CrO4 × 2.5C7H8 | 2C88H64Cr2O4 | C58H46CrN2O2 | C70H52CrN4O2 × 0.5C6H12 × C4H8O | C22H15 × CH2Cl2 |
| fw, g/mol | 1020.25 | 2578.80 | 854.97 | 1147.34 | 364.27 |
| crystal system | Triclinic | Triclinic | Monoclinic | Triclinic | Triclinic |
| space group | P-1 | P-1 | P21/c | P-1 | P-1 |
| a (Å) | 9.946 (11) | 13.9851 (4) | 17.38 (15) | 10.1831 (6) | 8.7464 (5) |
| b (Å) | 14.298 (16)) | 19.4602 (6) | 13.03 (11) | 13.0107 (7) | 8.7610 (5) |
| c (Å) | 19.19 (2) | 30.4287 (10) | 28.58 (19) | 23.0961 (13) | 12.4072 (7) |
| α (deg) | 83.38 (3) | 81.683 (2) | 90.00 | 100.964 (3) | 76.995 (2) |
| β (deg) | 82.55 (2) | 77.609 (2) | 127.4 (4) | 101.580 (3) | 78.928 (2) |
| γ (deg) | 82.44 (2) | 74.125 (2) | 90.00 | 99.999 (3) | 70.505 (2) |
| V (Å3) | 2668 (5) | 7747.2 (4) | 5142 (71) | 2870.7 (3) | 866.13 (9) |
| Z | 2 | 4 | 4 | 2 | 2 |
| dcalcd, g/cm3 | 1.270 | 1.1055 | 1.104 | 1.327 | 1.397 |
| μ, mm−1 | 0.266 | 2.673 | 0.263 | 0.257 | 0.377 |
| T (K) | 100(2) | 172.99 | 100 (2) | 100 (2) | 100 (2) |
| 2θ, deg | 49.00 | 128.14 | 47.44 | 52.96 | 55.02 |
| R1a [(I > 2σ)] | 0.0981 | 0.0827 | 0.0727 | 0.0730 | 0.0388 |
| wR2b [(I > 2σ)] | 0.2070 | 0.1875 | 0.1512 | 0.1710 | 0.0803 |
| GOFc (F2) | 0.973 | 0.7573 | 0.881 | 1.037 | 1.041 |
aR1 = ∑||Fo – |Fc||/∑|Fo|. b wR2 = (∑ (w(Fo2 – Fc2)2)/∑(w(Fo2)2))1/2. c GOF = (∑w(Fo2 – Fc2)2/(n – p))1/2, where n is the number of data and P is the number of parameters refined.