Bromidocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(dicyclohexylphosphanyl)ethylidenyl]-<i>N</i>′-[2-(diphenylphosphanyl)ethyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate
Bibliographic record
Abstract
In the title compound, trans -( S , S )-[FeBr(CO)(PPh 2 CH 2 CH 2 NHCHPhCHPhNCHCH 2 PCy 2 )]BPh 4 , the Fe II ion is in a distorted octahedral complex geometry with a cis -β ligand geometry in which two diastereomers co-crystallized in the asymmetric unit. These diastereomers differ by the orientation of the N—H moieties on the ligand; one is in the S conformation ( A ), and the other R ( B ). Diasteromer A has a P—Fe—P angle of 104.36 (6)° and B has a P—Fe—P angle of 102.70 (6)°. During the refinement of the structure, electron density peaks were located that were believed to be highly disordered solvent molecules (possibly diethyl ether). Attempts made to model the solvent molecule were not successful. The SQUEEZE [Spek (2015). Acta Cryst . C 71 , 9–18] option in PLATON indicated there was a large solvent cavity of 363 Å 3 . In the final cycles of refinement, this contribution of 117 electrons to the electron density was removed from the observed data. The density, the F (000) value, the molecular weight and the formula are given without taking into account the results obtained with SQUEEZE.
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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 | 0.001 |
| Meta-epidemiology (broad) | 0.002 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.003 | 0.002 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.003 | 0.002 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 0.001 |
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".