Table 3.
Selected Bond Distances (Å) and Bond Angles (deg) for Five Coordinate [MnII(SMe2N4(6-Me-DPEN)](PF6) (1), oxo bridged [MnIII(SMe2N4(6-MeDPEN)]2-(μ-O)(BF4)2•2MeOH (2), Peroxo-Bound [MnIII(SMe2N4(6-Me-DPEN)]2(trans–μ–1,2–O2)(BPh4)2 •2CH3CH2CN (3)
| 1 | 2 | 3 | |
|---|---|---|---|
| Mn(1)–S(1) | 2.3710(6) | 2.2767(7) | 2.2747(12) |
| Mn(1)–N(1) | 2.186(2) | 1.999(3) | 2.040(3) |
| Mn(1)–N(2) | 2.297(2) | 2.151(2) | 2.203(3) |
| Mn(1)–N(3) | 2.222(2) | 2.581(2) | 2.410(3) |
| Mn(1)–N(4) | 2.239(2) | 2.501(2) | 2.492(3) |
| Mn(1)–O(1) | N/A | 1.7602(4) | 1.832(3) |
| O(1)–O(1′) | N/A | N/A | 1.452(5) |
| Mn(1)•••O(1′) | N/A | N/A | 2.481 |
| Mn(1)•••Mn(1′) | N/A | 3.520 | 4.113 |
| Mn(1)-O(1)-O(1′) | N/A | N/A | 97.5(6) |
| O(1)-Mn(1)-S(1) | N/A | 95.37 | 85.12(9) |
| O(1)-Mn(1)-N(3) | N/A | 92.79 | 92.4(1) |
| O(1)-Mn(1)-N(1) | N/A | 177.21(9) | 165.5(1) |
| O(1)-Mn(1)-N(2) | N/A | 100.44(6) | 111.1(1) |
| S(1)-Mn-N(2) | 156.98(5) | 164.17(7) | 163.3(1) |
| S(1)-Mn-N(3) | 117.36(5) | 106.2 (1) | 109.0(1) |
| S(1)-Mn-N(4) | 117.38(5) | 106.84(6) | 105.6(1) |
| N(1)-Mn-N(4) | 120.58(7) | 92.68(1) | 101.7(1) |
| Mn(1)–O–Mn(1′) | N/A | 180.0 | N/A |