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Record W1967271443 · doi:10.1021/ic0614972

Neutral High-Potential Nickel Triad Bisdithiolenes:  Structure and Solid-State NMR Properties of Pt[S<sub>2</sub>C<sub>2</sub>(CF<sub>3</sub>)<sub>2</sub>]<sub>2</sub>

2006· article· en· W1967271443 on OpenAlexaff
E. Kogut, Joel A. Tang, Alan J. Lough, Cory M. Widdifield, Robert W. Schurko, Ulrich Fekl

Bibliographic record

VenueInorganic Chemistry · 2006
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsUniversity of WindsorUniversity of Toronto
Fundersnot available
KeywordsChemistryCrystallographyNickelSolid-state nuclear magnetic resonanceNuclear magnetic resonance spectroscopyTriad (sociology)Crystal structureOxidizing agentDensity functional theoryAnisotropyLigand (biochemistry)Solid-stateTensor (intrinsic definition)StereochemistryComputational chemistryPhysical chemistryNuclear magnetic resonanceOrganic chemistry

Abstract

fetched live from OpenAlex

X-ray crystallography and solid-state NMR techniques were used to determine the structure and 195Pt NMR chemical shift (CS) tensor of Pt[S2C2(CF3)2]2. This is the first reported crystal structure of a highly oxidizing (CN- or CF3-substituted) neutral bis(dithiolene) complex of a Ni triad metal in its pure form. The 195Pt NMR CS tensor is highly anisotropic and asymmetric; the latter property is attributed to the noninnocent nature of the ligand. The tensor components and orientation are determined with density functional theory calculations.

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity
Consensus categoriesMeta-epidemiology (narrow), Research integrity
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 score0.007
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0030.003
Meta-epidemiology (broad)0.0030.001
Bibliometrics0.0000.002
Science and technology studies0.0010.002
Scholarly communication0.0010.001
Open science0.0020.001
Research integrity0.0030.003
Insufficient payload (model declined to judge)0.0000.000

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 head0.006
GPT teacher head0.208
Teacher spread0.202 · 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 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

Citations19
Published2006
Admission routes1
Has abstractyes

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