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Record W2433444100 · doi:10.1107/s2056989015014334

Crystal structure of octa-μ<sub>3</sub>-selenido-(<i>p</i>-toluenesulfonato-κ<i>O</i>)pentakis(triethylphosphane-κ<i>P</i>)-<i>octahedro</i>-hexarhenium(III)<i>p</i>-toluenesulfonate dichloromethane disolvate

2015· article· en· W2433444100 on OpenAlexaff
Julia A. Edwards, Robert McDonald, Lisa F. Szczepura

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2015
Typearticle
Languageen
FieldChemistry
TopicInorganic Chemistry and Materials
Canadian institutionsUniversity of Alberta
FundersNational Science Foundation
KeywordsChemistryLigand (biochemistry)Medicinal chemistryCrystallographyTolueneSolventSulfonateMethane sulfonateMoleculeDichloromethaneBond lengthCrystal structureAcetonitrileStereochemistryOrganic chemistrySodium

Abstract

fetched live from OpenAlex

The title compound, [Re6Se8{O3SC6H4(CH3)}{P(C2H5)3}5](CH3C6H4SO3)·2CH2Cl2, contains the face-capped hexa-nuclear [Re6(μ3-Se)8](2+) cluster core. The [Re6Se8](2+) cluster core displays a non-crystallographic center of symmetry and is bonded through the Re(III) atoms to five tri-ethyl-phosphane ligands and one p-toluene-sulfonate ligand. One p-toluene-sulfonate counter-ion and two di-chloro-methane solvent mol-ecules are also present in the asymmetric unit. One of the ethyl chains of one triethylphos-phane ligand and one of the CH2Cl2 solvent molecules are disordered over two sets of sites (occupancy ratios 0.65:0.35 and 0.5:0.5, respectively). The Re-O(sulfon-ate) bond length of 2.123 (5) Å is similar to other Re-O bond lengths of hexa-nuclear rhenium chalcogenide clusters containing other O-donor ligands such as dimethyl sulfoxide (DMSO), di-methyl-formamide (DMF) and hydroxide.

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)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity
Consensus categoriesMeta-epidemiology (narrow)
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 score0.208
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0010.005
Science and technology studies0.0010.003
Scholarly communication0.0000.001
Open science0.0040.002
Research integrity0.0020.002
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 head0.237
Teacher spread0.220 · 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

Citations4
Published2015
Admission routes1
Has abstractyes

Explore more

Same venueActa Crystallographica Section E Crystallographic CommunicationsSame topicInorganic Chemistry and MaterialsFrench-language works237,207