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Record W2135323723 · doi:10.1071/ch12424

Solvent-Dependent Access to Two Different Ni4II Core Topologies from the First Use of Pyridine-2,6-dimethanol in Nickel(ii) Cluster Chemistry

2012· article· en· W2135323723 on OpenAlex
Konstantina I. Alexopoulou, Catherine P. Raptopoulou, Vassilis Psycharis, Aris Terzis, V. Tangoulis, Theocharis C. Stamatatos, Spyros P. Perlepes

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.

Bibliographic record

VenueAustralian Journal of Chemistry · 2012
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsBrock University
Fundersnot available
KeywordsChemistryNickelPyridineCubaneCrystallographyMoleculeSolventAlkoxideMagnetic susceptibilityStereochemistryCatalysisCrystal structureMedicinal chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The use of pyridine-2,6-dimethanol, pdmH2, in reactions with nickel(ii) acetate has led to two Ni4 clusters, depending on the solvent. [Ni4(O2CMe)4(pdmH)4]·MeCN (1·MeCN) can be obtained from MeCN and [Ni4(O2CMe)6(pdmH)2(EtOH)2]·1.2EtOH (2·1.2EtOH) from EtOH. Each cluster can be converted into the other in the appropriate solvent. The tetranuclear cluster molecule 1 possesses a distorted cubane {Ni4(μ3-OR)4}4+ core (RO– = pdmH–) with the NiII atoms and the alkoxide-type oxygen atoms from the η3 : η1 : μ3 pdmH– ligands occupying alternate vertices of the cube; four η1 : η1 : μ MeCO2– groups cap four faces of the cube. The four NiII atoms in molecule 2 are located at four vertices of a defective dicubane and are bridged by six oxygen atoms, two μ3 from the η3 : η1 : η1 : μ3 pdmH– ligands and four from four monoatomically bridging MeCO2– groups; peripheral ligation is provided by two η1 : η1 : μ MeCO2– groups and two terminal EtOH ligands. IR data are discussed in terms of the coordination modes of the ligands. Variable-temperature direct-current magnetic susceptibility data of 1 and 2 were modelled with two and three J values respectively, indicating diamagnetic ground states (S = 0). The sign and the magnitude of the J values are discussed in terms of structural features of the complexes.

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 categoriesInsufficient payload (model declined to judge)
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 score0.054
Threshold uncertainty score0.996

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0000.000
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 head0.094
GPT teacher head0.331
Teacher spread0.237 · 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