Synthesis and structural features of complexes [(P<sup>∩</sup>P)<sub>2</sub>Rh][hfacac] containing hexafluoroacetyl- acetonate as a noncoordinating anion
Bibliographic record
Abstract
The synthesis and characterization of complexes [(P∩P)2Rh][hfacac] (P∩P = chelating bidentate phosphine ligand R2P(CH2)nPR2 (2a-g), hfacac = hexafluoroacetylacetonate anion) (4) is reported. The molecular structures of 4a (R = Ph, n = 1) and 4f (R = Cy, n = 2) in the solid state were determined by single-crystal X-ray diffraction. The complexes crystallize in the monoclinic space groups C2/c (No. 15) and P21/n (No. 14), respectively. No coordinative interaction between the rhodium center of the cation [(P∩P)2Rh]+ (4a+, 4f+) and the hfacac anion is evident in either cases. In the crystal structure of 4a, hydrogen bonds between the oxygen atoms of the hfacac anion and methylene protons of the CH2 bridges of the phosphine ligand lead to highly symmetric chains of regularly alternating cations and anions. The coordination geometry around the rhodium center in 4a+ is ideally square-planar, whereas 4f+ is significantly distorted towards a tetrahedron with an angle between the two P2Rh moieties of 18.6°. The cation 4b+ (R = Cy, n = 1) was investigated in form of the tetrafluoroborate salt for comparison. The compound [{Cy2P(CH2)PCy2}2Rh][BF4] crystallizes as a THF solvate (4b′) in the triclinic space group P[Formula: see text] (No. 2) containing ideally square-planar [(P∩P)2Rh]+ cations. Key words: rhodium, chelating ligands, coordination modes, 1,3-diketonates, phosphorus ligands.
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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".