Average bond lengths (Å), ∑ (deg) parameter, HS molar fraction γHS and spin states of 1·PhNO2.
| 290 K | 250 K | 228 K | 206 K | 140 K | 15 K | Photo 15 K | |
|---|---|---|---|---|---|---|---|
| 〈Fe–Nax〉 | 2.231(4) | 2.158(5) | 2.026(5) (LS), 2.219(5) (HS) | 2.068(6) | 2.015(4) | 2.010(7) | 2.203(6) |
| 〈Fe–Neq〉 | 2.133 (4) | 2.070(3) | 1.944(2) (LS), 2.126(2) (HS) | 1.996(4) | 1.933(2) | 1.932(3) | 2.120(3) |
| 〈Fe–N〉 | 2.166(3) | 2.099(2) | 1.971(2) (LS), 2.157(2) (HS) | 2.020(3) | 1.960(2) | 1.958(3) | 2.147(3) |
| ∑ | 3.68(16) | 3.40(16) | 6.66(16) (LS), 5.40(17) (HS) | 3.76(10) | 4.40(15) | 3.2(2) | 4.72(18) |
| γ HS | 1 | 2/3 | 1/2 | 1/3 | 0 | 0 | 1 |
| State | 1 (HS) | 2 (HSHSLS)a | 3 (HSLS) | 4 (LSLSHS)a | 5 (LS) | 5 (LS) | 6 photo(HS) |
a
Spin-state ordering not definitely characterized.