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Record W4402780397 · doi:10.1107/s2056989024009150

Crystal structure and Hirshfeld surface analysis of trichlorido(1,10-phenanthroline-κ<sup>2</sup> <i>N</i>,<i>N</i>′)phenyltin(IV)

2024· article· en· W4402780397 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2024
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Compounds Synthesis and Characterization
Canadian institutionsConcordia University
FundersDirection Générale de la Recherche Scientifique et du Développement TechnologiqueInstitute of Circulatory and Respiratory HealthCentre National de la Recherche Scientifique
KeywordsChemistryStackingHydrogen bondCrystallographyPhenanthrolineIntramolecular forceIntermolecular forceCrystal structureCrystal (programming language)MoleculeStereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The title compound, [Sn(C 6 H 5 )Cl 3 (C 12 H 8 N 2 )], which was obtained by the reaction between 1,10-phenanthroline and phenyltin trichloride in methanol, exhibits intramolecular hydrogen-bonding interactions involving the chlorine and hydrogen atoms. Crystal cohesion is ensured by intermolecular C—H...Cl hydrogen bonds, as well as Y — X ...π and π-stacking interactions involving three different aromatic rings with centroid–centroid distances of 3.6605 (13), 3.9327 (14) and 3.6938 (12) Å]. Hirshfeld surface analysis and the associated two-dimensional fingerprint plots reveal significant contributions from H...H (30.7%), Cl...H/H...Cl (32.4%), and C...H/H...C (24.0%) contacts to the crystal packing while the C...C (6.2%), C...Cl/Cl...C (4.1%), and N...H/H...N (1.7%) interactions make smaller contributions.

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.

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.975
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0020.009
Science and technology studies0.0010.001
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.000

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 head0.013
GPT teacher head0.239
Teacher spread0.226 · 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