MétaCan
Menu
Back to cohort
Record W4391389362 · doi:10.1021/acs.cgd.3c01243

Deciphering Trends in Structural Parameters of RE-UiO-66 Metal–Organic Frameworks through Single Crystal Analysis

2024· article· en· W4391389362 on OpenAlex
P. Rafael Donnarumma, Christopher Copeman, Micaela Richezzi, Justin Sardilli, Hatem M. Titi, Ashlee J. Howarth

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

VenueCrystal Growth & Design · 2024
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsMcGill UniversityConcordia University
FundersNatural Sciences and Engineering Research Council of CanadaConcordia University
KeywordsIonic radiusCrystallographyThermal stabilityBond lengthMetal-organic frameworkSingle crystalDiffractionMetalIonic bondingLinkerCrystal structureLanthanideMaterials scienceChemistryRare earthStructural stabilityIonPhysical chemistryMineralogyPhysicsOpticsOrganic chemistry

Abstract

fetched live from OpenAlex

Single crystals of a family of rare-earth-metal–organic frameworks (RE-MOFs), RE-UiO-66 where RE = Sm(III), Eu(III), Gd(III), Tb(III), Dy(III), Ho(III), Er(III), Tm(III), Yb(III), and Lu(III), are successfully synthesized and their structures resolved through single-crystal X-ray diffraction. Different structural parameters, including unit cell dimensions and bond distances, are explored to discover trends between those structural parameters, ionic radii of the RE ions in the MOF structures, and their thermal stability. Results suggest that subtle differences in metal-linker bond length can have a notable effect on thermal stability (± 60 °C).

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)0.000
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: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.332
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.004
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0060.000

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 head0.030
GPT teacher head0.265
Teacher spread0.235 · 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