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Record W1984757275 · doi:10.1107/s0108270113015060

<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ<sup>2</sup><i>S</i><sup>3</sup>,<i>S</i><sup>6</sup>)palladium(II) acetonitrile 0.8-solvate

2013· article· en· W1984757275 on OpenAlexaff
Louise N. Dawe, Lisa Penney, D. A. Black, D.O. Miller, C. Robert Lucas

Bibliographic record

VenueActa Crystallographica Section C Crystal Structure Communications · 2013
Typearticle
Languageen
FieldMedicine
TopicMetal complexes synthesis and properties
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsPalladiumChemistryAcetonitrileLigand (biochemistry)MoleculeCrystallographyStereochemistryMedicinal chemistryOrganic chemistryReceptor

Abstract

fetched live from OpenAlex

In the title complex, [PdCl2(C12H22S3)]·0.8CH3CN, a potentially tridentate thioether ligand coordinates in a cis-bidentate manner to yield a square-planar environment for the Pd(II) cation [mean deviation of the Pd from the Cl2S2 plane = 0.0406 (7) Å]. Each square-planar entity packs in an inverse face-to-face manner, giving pairs with plane-to-plane separations of 3.6225 (12) Å off-set by 1.1263 (19) Å, with a Pd···Pd separation of 3.8551 (8) Å. A partial acetonitrile solvent molecule is present. The occupancy of this molecule was allowed to refine, and converged to 0.794 (10). The synthesis of the previously unreported 3,6,9-trithiabicyclo[9.3.1]pentadecane ligand is also outlined.

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 distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Research integrity
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.888
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0020.004
Science and technology studies0.0040.002
Scholarly communication0.0010.002
Open science0.0040.002
Research integrity0.0010.004
Insufficient payload (model declined to judge)0.0050.000

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.

Opus teacher head0.024
GPT teacher head0.251
Teacher spread0.227 · 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; both teacher heads agree on what is shown here.

Study designNot applicable
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

Citations0
Published2013
Admission routes1
Has abstractyes

Explore more

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