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Record W2015231027 · doi:10.1107/s1600536814020273

Crystal structure of tetrakis(μ-<i>n</i>-butyrato-κ<sup>2</sup><i>O</i>:<i>O</i>′)bis[chloridorhenium(III)](<i>Re</i>—<i>Re</i>)

2014· article· en· W2015231027 on OpenAlexafffund
Michael P. Thomson, Natasha F. O’Rourke, Ruiyao Wang, M.A.S. Aquino

Bibliographic record

VenueActa Crystallographica Section E Structure Reports Online · 2014
Typearticle
Languageen
FieldMedicine
TopicMetal complexes synthesis and properties
Canadian institutionsQueen's UniversitySt. Francis Xavier University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryCrystallographyCrystal (programming language)Bond lengthCrystal structureBioinformaticsAtom (system on chip)Molecular geometryMolecule

Abstract

fetched live from OpenAlex

With an inversion center at the mid-point of the two Re(III) atoms, the title compound, [Re2Cl2{O2C(CH2)2CH3}4], exhibits a paddle-wheel or lantern-type structure with four n-butyrate groups bridging two Re(III) atoms in a syn-syn fashion. The axial chloride ligands together with the Re-Re quadruple bond [2.2330 (3) Å] complete an essentially octa-hedral geometry around each Re(III) atom. There is little distortion, with an Re-Re-Cl bond angle of 176.18 (3)° and typical cis-O-Re-O bond angles ranging from 89.39 (11) to 90.68 (11)°. There are two mol-ecules in the unit cell, and no significant inter-molecular inter-actions were noticed between mol-ecules in the crystal.

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 score0.014
Threshold uncertainty score0.028

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 science0.0010.000
Research integrity0.0000.001
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 head0.014
GPT teacher head0.242
Teacher spread0.228 · 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

Citations1
Published2014
Admission routes2
Has abstractyes

Explore more

Same venueActa Crystallographica Section E Structure Reports OnlineSame topicMetal complexes synthesis and propertiesFrench-language works237,207