<i>C</i><sub>2</sub>-isomer of [Pd(tfd)]<sub>6</sub>[tfd is S<sub>2</sub>C<sub>2</sub>(CF<sub>3</sub>)<sub>2</sub>] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes
Bibliographic record
Abstract
The title compound, hexakis[μ 3 -1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]- octahedro -hexapalladium(II), [Pd(C 4 F 6 S 2 )] 6 , crystallizes as its benzene solvate, [Pd(tfd)] 6 ·2.5C 6 H 6 , where tfd is the dithiolene S 2 C 2 (CF 3 ) 2 . The molecular structure of [Pd(tfd)] 6 is of the hexametallic cube type seen previously in three examples of hexameric homoleptic palladium monodithiolene structures. All structures have in common: ( a ) the cluster closely approximates a cube containing six Pd II atoms, one at the centre of each cube face; ( b ) 12 S atoms occupy the mid-points of all 12 cube edges, providing for each Pd II atom an approximately square-planar S 4 environment; ( c ) each S atom is part of a dithiolene molecule, where the size of the dithiolene ligand necessitates that only sulfur atoms on adjacent cube edges can be part of the same dithiolene. This general cube-type framework has so far given rise to two isomeric types: an S 6 -symmetric isomer and a C 2 -chiral type (two isomers that are enantiomers of each other). The structure of [Pd(tfd)] 6 is of the C 2 -type. Out of the 12 CF 3 groups, three are rotationally disordered over two positions. Further, we answer the question of whether additional, previously undiscovered, isomers could follow from the cube rules ( a ) through ( c ) above. An exhaustive analysis shows that no additional isomers are possible and that the list of isomers (one S 6 isomer, two C 2 enantiomers) is complete. Each isomer type could give rise to an unlimited number of compounds if the specific dithiolene used is varied.
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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 | 0.005 | 0.002 |
| Meta-epidemiology (narrow) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.003 | 0.003 |
| Bibliometrics | 0.004 | 0.008 |
| Science and technology studies | 0.004 | 0.006 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.010 | 0.005 |
| 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".