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Record W2241502028 · doi:10.1021/acs.cgd.5b00698

Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal–Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C<sub>4</sub>H<sub>2</sub>S)<sub><i>n</i></sub>(CN)<sub>2</sub> (<i>n</i> = 1, 2, 3) Bridging Silver(I) Cations

2015· article· en· W2241502028 on OpenAlexafffund
Nicholas R. Andreychuk, Sheena R. Allard, Shawna L. M. Parent, Abdeljalil Assoud, Craig D. MacKinnon

Bibliographic record

VenueCrystal Growth & Design · 2015
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of WaterlooLakehead University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsCounterionDiamondoidChemistryCrystallographyNitrileLigand (biochemistry)Goldilocks principleMetalIonStereochemistryMoleculeOrganic chemistryPhysics

Abstract

fetched live from OpenAlex

A series of oligothiophene dinitriles, containing one, two, or three oligothiophene rings between nitrile donors NC-(C 4 H 2 S) n -CN are reacted with silver(I) salts to form coordination compounds. In most cases, the resulting metal–organic frameworks are one-dimensional coordination polymers containing roughly linear divalent Ag(I) centers. However, in the case of bithiophene ( n = 2) and terthiophene ( n = 3) bridges, a three-dimensional structure is also possible if the silver(I) counterion is just the right size to fit into the diamondoid pores that form with four-coordinate tetrahedrally oriented Ag(I) centers. Thus, only ClO 4 – and BF 4 – form three-dimensional structures with the bithiophene-bridged ligands, while the larger CF 3 SO 3 – and SbF 6 – anions will support a three-dimensional structure for the terthiophene-bridged ligand. Any counterion larger or smaller than the “just right” size will result in the one-dimensional structure instead.

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)0.003
metaresearch head score (Gemma)0.004
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, 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 score0.119
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0030.004
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0010.002
Science and technology studies0.0020.001
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0020.003
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 head0.031
GPT teacher head0.227
Teacher spread0.196 · 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

Citations3
Published2015
Admission routes2
Has abstractyes

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