Table 1.
Crystal data and structure refinement for 1•O2PPh2(BPh4)2•MeCN and 1•O2AsMe2(BPh4)(OTf)•MeCN.
| 1•O2PPh2(BPh4)2•MeCN | 1•O2AsMe2(BPh4)(OTf) •MeCN | |
|---|---|---|
| empirical formula | C105H102B2Fe2N11O3P | C72H78BF3 Fe2N11O6S |
| fw | 1730.27 | 1479.94 |
| T (K) | 173(2) | 173(2) |
| Mo K α λ, Å | 0.71073 | 0.71073 |
| space group | P21/c | P21/c |
| a (Å) | 18.937(4) | 16.1151(12) |
| b (Å) | 23.855(5) | 15.6370(12) |
| c (Å) | 21.817(5) | 28.473(2) |
| α (deg) | 90 | 90 |
| β (deg) | 114.903(4) | 103.4900(10) |
| γ (deg) | 90 | 90 |
| V (Å3) | 8940(3) | 6977.0(9) |
| Z | 4 | 4 |
| ρ (calc), Mg/m3 | 1.286 | 1.409 |
| abs coeff (mm−1) | 0.402 | 0.985 |
| R1a | 0.0492 | 0.0338 |
| wR2b | 0.0957 | 0.0798 |
a
R1 = Σ||Fo|−|Fc|| / Σ|Fo|.
b
wR2 = [Σ[w(Fo 2−Fc2)2] / Σ [w(Fo2)2]]1/2.