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Record W2034497890 · doi:10.1134/s0022476612030262

X-ray study of the third polymorphic structure of μ-oxo-bis[(octaethylporphinato)iron(III)]: [(OEPFe)2O)]

2012· article· en· W2034497890 on OpenAlexaff
Mozhgan Khorasani-Motlagh, Meissam Noroozifar, Jilla Saffari, Brian O. Patrick

Bibliographic record

VenueJournal of Structural Chemistry · 2012
Typearticle
Languageen
FieldMaterials Science
TopicPorphyrin and Phthalocyanine Chemistry
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsTriclinic crystal systemCrystallographyPorphyrinBond lengthCrystal structureRing (chemistry)ChemistryDichloromethaneAtom (system on chip)PhotochemistrySolvent

Abstract

fetched live from OpenAlex

Exposure of a dichloromethane solution of [OEPFeIIICl], where OEP is the dianion of octaethylporphyrin, to dioxygen results in its transformation into the μ-oxo bridged compound [(OEPFe)2O)]. The structure of [(OEPFe)2O)] is determined by X-ray diffraction analysis. It contains binuclear centrosymmetric [(OEPFe)2O]. The Fe atom is five-coordinated to four N atoms of the porphyrin ring and to one bridging O atom. The compound is characterized by an average Fe-N bond length of 2.096 Å. The Fe-O bond distance is 1.7739(12) Å, the Fe-O-Fe bond angle is 180.0° and the two porphyrin rings are parallel. Crystal data: triclinic crystal system, a = 10.915(4) Å, b = 12.951(4) Å, c = 13.403(4) Å, α = 118.06(1)°, β = 100.33(1)°, Γ = 102.43°, $$P\bar 1$$ space group, V = 1144.5(1) Å3, Z = 1.

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 score0.003
Threshold uncertainty score0.006

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)0.0010.000

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 head0.010
GPT teacher head0.240
Teacher spread0.230 · 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

Citations5
Published2012
Admission routes1
Has abstractyes

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Same venueJournal of Structural ChemistrySame topicPorphyrin and Phthalocyanine ChemistryFrench-language works237,207