Theoretical and Structural Analysis of the Unsymmetrical Bridging Coordination Mode of the Nonconical PNR<sub>2</sub> Ligands in Ru<sub>4</sub>(CO)<sub>12</sub>(μ<sub>4</sub>-PNR<sub>2</sub>)<sub>2</sub> Clusters
Bibliographic record
Abstract
The X-ray molecular structure of Ru 4 (CO) 12 (μ 4 -PNEt 2 ) 2 exhibits a strong distortion of its octahedral Ru 4 P 2 core toward D 2 d symmetry, with a puckered Ru 4 “square” and a phosphorus coordination mode intermediate between μ 4 and μ 2 . The electronic origin of this distortion is analyzed with the help of EHT and DFT calculations. This structural peculiarity originates from the nonconical nature of the PNR 2 ligand and from the ability of the Ru 4 (CO) 12 unit to adapt its conformation and bonding ability to this unsymmetrical bonding.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.002 | 0.002 |
| Meta-epidemiology (narrow) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.004 | 0.002 |
| Bibliometrics | 0.001 | 0.006 |
| Science and technology studies | 0.001 | 0.003 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.003 | 0.002 |
| Research integrity | 0.002 | 0.003 |
| Insufficient payload (model declined to judge) | 0.000 | 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; both teacher heads agree on what is shown here.
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".