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Record W132667658 · doi:10.1107/s0108270112010402

(μ-1,2-Dimethoxyethane-κ<sup>2</sup><i>O</i>:<i>O</i>′)bis[(1,2-dimethoxyethane-κ<sup>2</sup><i>O</i>,<i>O</i>′)tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato-κ<sup>2</sup><i>O</i>,<i>O</i>′)cerium(III)]

2012· article· en· W132667658 on OpenAlexaff
Elisabeth M. Fatila, Michael C. Jennings, Alan J. Lough, Kathryn E. Preuss

Bibliographic record

VenueActa Crystallographica Section C Crystal Structure Communications · 2012
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsUniversity of TorontoUniversity of Guelph
Fundersnot available
KeywordsDimethoxyethaneChemistryDenticityLigand (biochemistry)CrystallographyLanthanideCrystal structureBridging ligandIonStereochemistryPhysical chemistry

Abstract

fetched live from OpenAlex

A previous analysis [Fatila et al. (2012). Dalton Trans. 41, 1352-1362] of the title complex, [Ce(2)(C(5)HF(6)O(2))(6)(C(4)H(10)O(2))(3)], had identified it as Ce(hfac)(3)(dme)(1.5) according to the (1)H NMR integration [hfac = 1,1,1,5,5,5-hexafluoroacetylacetonate (1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) and dme = 1,2-dimethoxyethane]; however, it was not possible to determine the coordination environment unambiguously. The structural data presented here reveal that the complex is a binuclear species located on a crystallographic inversion center. Each Ce(III) ion is coordinated to three hfac ligands, one bidentate dme ligand and one monodentate (bridging) dme ligand, thus giving a coordination number of nine (CN = 9) to each Ce(III) ion. The atoms of the bridging dme ligand are unequally disordered over two sets of sites. In addition, in two of the -CF(3) groups, the F atoms are rotationally disordered over two sets of sites. This is the first crystal structure of a binuclear lanthanide β-diketonate with a bridging dme ligand.

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 score0.004
Threshold uncertainty score0.015

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 science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0040.001

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 head0.021
GPT teacher head0.273
Teacher spread0.252 · 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

Citations4
Published2012
Admission routes1
Has abstractyes

Explore more

Same venueActa Crystallographica Section C Crystal Structure CommunicationsSame topicMagnetism in coordination complexesFrench-language works237,207