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Record W2515799584 · doi:10.1107/s2056989016013190

(+)-<i>trans</i>-Chlorido{2-[(<i>R</i> <sub>p</sub>)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate

2016· article· en· W2515799584 on OpenAlexaff
Cody Wilson‐Konderka, Alan J. Lough, Costa Metallinos

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2016
Typearticle
Languageen
FieldChemistry
TopicN-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Canadian institutionsUniversity of TorontoBrock University
Fundersnot available
KeywordsChemistryLigand (biochemistry)Ring (chemistry)CarbenePyrrolidineCrystal structureStackingAtom (system on chip)Coordination geometryThio-CrystallographyMedicinal chemistryStereochemistrySalt (chemistry)CatalysisHydrogen bondMoleculeOrganic chemistry

Abstract

fetched live from OpenAlex

The title solvated complex, [FePd(C5H5)(C12H13N2S)Cl(C18H15P)2]PF6·2CHCl3, bearing a chiral ferrocenyl pyrroloimidazolylidene N-heterocyclic carbene (NHC) ligand, was synthesized by oxidative addition of a chloroimidazolium salt to Pd(PPh3)4. The PdII ion is coordinated in a slightly distorted square-planar coordination geometry, with the Cl atom trans to the coordinating C atom of the pyrroloimidazolylidene ligand. The complex features a pendant thioether group that is not involved in coordination to Pd. In the crystal, weak C—H...F and C—H...π interactions connect the components of the structure, forming chains propagating along [1-10]. The fused pyrrolidine ring is in an envelope conformation, and the flap atom was refined as disordered over two sets of sites, with occupancies of 0.77 (4) and 0.23 (4).

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.008

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.001

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.

Opus teacher head0.010
GPT teacher head0.218
Teacher spread0.208 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations1
Published2016
Admission routes1
Has abstractyes

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Same venueActa Crystallographica Section E Crystallographic CommunicationsSame topicN-Heterocyclic Carbenes in Organic and Inorganic ChemistryFrench-language works237,207