| Sample | 1Pt | 1Pt·H2O | ||||||
| T (K) | 260 | 120 | 260 | 187 | 100 | |||
| Spin state | HS | LS | Fe1(HS) | Fe2(HS) | Fe1(LS) | Fe2(HS) | Fe1(LS) | Fe2(LS) |
| Fe–N (Å) | 2.161 | 1.950 | 2.159 | 2.164 | 1.965 | 2.140 | 1.948 | 1.955 |
| Θ/Σ | 39/17.9 | 20.1/8.4 | 22/11.6 | 39/22.8 | 21/12.0 | 43/29.6 | 17/14.0 | 30/20.4 |
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