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Record W2998697655 · doi:10.1107/s0108767319098829

Novel homo- and heterometallic linear trinuclear complexes employing <i>N</i>-2-pyrimidylimidoyl-2-pyrimidylamidine ligands

2019· article· en· W2998697655 on OpenAlexaff
Raúl Castañeda, Jaclyn L. Brusso

Bibliographic record

VenueActa Crystallographica Section A Foundations and Advances · 2019
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsUniversity of Ottawa
Fundersnot available
KeywordsCrystallographyChemistryMaterials science

Abstract

fetched live from OpenAlex

Nowadays, bidentate ligands such as acetylacetonate (acac) and 1,3-diketoiminate (nacnac), or tridentate ligands such as terpyridine (terpy), are often employed to isolate metallic complexes for a diverse range of applications including water splitting, organic catalysis, molecular magnets and photosensitizers to name a few. In that regard, the recently prepared N-2-pyrimidylimidoyl-2-pyrimidylamidine (Pm2ImAm) ligand Having these two types of coordination environments within the same complex provides avenues to explore metal complexes with different electronic configurations, for instance incorporating one metal in a low spin (LS) state while another metal is high spin (HS). Recently, Starikova Inspired by her work, as a first step we synthesized similar linear trinuclear homometallic complexes with cobalt, nickel, and copper. These complexes have a central square planar metal ion (M1) coordinated in the bidentate pocket of Pm2ImAm, and two peripheral metal ions (M2) with either penta-coordinated or distorted octahedral configurations. As well, we have isolated heterometallic trinuclear complexes with a central square planar copper ion with two peripheral manganese dichloride groups. Structurally, the main difference between these complexes is the coordination geometry around the peripheral metal. Magnetic studies in these complexes are underway to access the electronic configuration of the metals and potential of the complexes as magnetic materials.

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 score0.001
Threshold uncertainty score0.004

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 science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.017
GPT teacher head0.259
Teacher spread0.242 · 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
Published2019
Admission routes1
Has abstractyes

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Same venueActa Crystallographica Section A Foundations and AdvancesSame topicMagnetism in coordination complexesFrench-language works237,207