Table 1.
Crystallographic Details for Complexes of 1, 2, K[2red], K(crypt-222)[3red], and 4ox[B(ArF)4]
| 1 | 2 | K[2red]·THF | K(crypt-222)[3red] | 4ox[B(ArF)4] | |
|---|---|---|---|---|---|
| chemical formula | C39H60CrN4P3 | C39H60N4P3Cr2 | C39H60N4Cr2P3K·C4H8O | C39H60N4P3MnCr·C18H36N2O6K | C39H60N4P3FeCr·C32H12F24B |
| formula weight | 729.82 | 781.82 | 893.02 | 1200.35 | 1648.90 |
| crystal system | monoclinic | trigonal | monoclinic | trigonal | triclinic |
| space group | P21/n | P321 | Cc | P3̄ | P1̄ |
| a (Å) | 11.1248(7) | 16.067(3) | 12.9903(19) | 11.3119(7) | 10.5449(8) |
| b (Å) | 20.166(1) | 16.067(3) | 27.035(4) | 11.3119(7) | 18.5182(14) |
| c (Å) | 17.373(1) | 11.673(2) | 14.055(2) | 28.5164(18) | 20.4402(16) |
| α (deg) | 90 | 90 | 90 | 90 | 71.0960(10) |
| β (deg) | 92.293(1) | 90 | 93.906(2) | 90 | 78.6720(10) |
| γ (deg) | 90 | 120 | 90 | 120 | 87.5320(10) |
| V (Å3) | 3894.4(4) | 2609.7(9) | 4924.6(12) | 3160.1(4) | 3701.7(5) |
| Z | 4 | 2 | 4 | 2 | 2 |
| Dcalcd (g cm−3) | 1.245 | 0.995 | 1.204 | 1.262 | 1.479 |
| λ (Å), μ (mm−1) | 0.71073, 0.449 | 0.71073, 0.805 | 0.71073, 0.853 | 0.71073, 0.564 | 0.71073, 0.512 |
| T (K) | 173(2) | 173(2) | 173(2) | 173(2) | 123(2) |
| θ range (deg) | 2.20–27.42 | 2.260–24.640 | 2.1945–24.658 | 2.184–27.486 | 2.207–27.2555 |
| reflns collected | 33608 | 6896 | 25827 | 33862 | 43571 |
| unique reflns | 6647 | 2958 | 9412 | 4397 | 10885 |
| data/restraint/parameters | 8993/0/436 | 6896/0/145 | 11248/0/487 | 4850/0/226 | 16967/762/1030 |
| R1, wR2 [I > 2σ(I)] | 0.0418, 0.0993 | 0.0466, 0.0903 | 0.0422, 0.0873 | 0.0296, 0.0689 | 0.1116, 0.3043 |