Table 1.
Geometry changes for the monoclinic polymorph on excitation based on the LASER refinement of the 50 µs data. The accuracy of the excited state molecular distances was estimated by error propagation.
| Contact | Bond length / Å | |||
| GS | ES | |||
| Fe1-O1 | 1.866(2) | 1.92(2) | ||
| Fe1-O2 | 1.915(2) | 1.83(3) | ||
| Fe1-N1 | 1.977(3) | 2.03(6) | ||
| Fe1-N2 | 2.031(3) | 2.13(3) | ||
| Fe1-N3 | 1.982(3) | 2.02(3) | ||
| Fe1-N4 | 1.989(3) | 2.04(3) | ||
| Shift / Å | ||||
| Fe1-Fe1E | 0.17(2) | |||
| N1-N1E | 0.11(5) | |||
| N2-N2E | 0.05(5) | |||
| N3-N3E | 0.07(3) | |||
| N4-N4E | 0.08(4) | |||
| O1-O1E | 0.14(2) | |||
| O2-O2E | 0.12(2) | |||