The Hexakis(thiocyanato)ferrate(<scp>III</scp>) Ion: a Coordination Chemistry Classic Reveals an Interesting Geometry Pattern for the Thiocyanate Ligands
Bibliographic record
Abstract
Abstract (NMe4)3[Fe(NCS)6] crystallizes from ethanol in the monoclinic space group C2/c. Two different types of complex ions are contained in the unit cell, though both possess exclusively N‐coordination of the thiocyanate ligands. In one ion, the thiocyanate ligands are all essentially linearly bound, with an Fe–N–C angle of 174 ± 4°, while in the other, there are two cis‐thiocyanate ligands with a notably small Fe–N–C angle of 146.5°. The EPR and Mössbauer results show that all the iron(III) centers maintain the high‐spin state down to 80 K, while the magnetic susceptibility confirms this to 2 K. Infrared and Mössbauer spectra provide evidence for an unusually “soft” lattice. Traditional criteria for interpretation of the infrared frequencies are not strictly applicable for this compound. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".