Supramolecular interactions in a copper(II) 4′-(4-bromophenyl)-2,2′:6′,2′′-terpyridine complex
Bibliographic record
Abstract
The title compound, [4'-(4-bromophenyl)-2,2':6',2''-terpyridine]chlorido(trifluoromethanesulfonato)copper(II), [Cu(CF(3)O(3)S)Cl(C(21)H(14)BrN(3))], is a new copper complex containing a polypyridyl-based ligand. The Cu(II) centre is five-coordinated in a square-pyramidal manner by one substituted 2,2':6',2''-terpyridine ligand, one chloride ligand and a coordinated trifluoromethanesulfonate anion. The Cu-N bond lengths differ by 0.1 Å for the peripheral and central pyridine rings [2.032 (2) (mean) and 1.9345 (15) Å, respectively]. The presence of the trifluoromethanesulfonate anion coordinated to the metal centre allows Br···F halogen-halogen interactions, giving rise to the formation of a dimer about an inversion centre. This work also demonstrates that the rigidity of the ligand allows the formation of other types of nonclassical interactions (C-H···Cl and C-H···O), yielding a three-dimensional network.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 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 teacher head, 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".