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Record W2288265880 · doi:10.1107/s2056989015023269

Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ<sup>3</sup><i>O</i>,<i>O</i>′:<i>O</i>′′)(2-carboxyacetato-κ<i>O</i>)di-μ-chlorido-dicobalt(II)]

2015· article· en· W2288265880 on OpenAlexaff
Yasmina Bouaoud, Zouaoui Setifi, A.I. Buvailo, V.A. Potaskalov, Hocine Mérazig, Georges Dénès

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2015
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsConcordia University
Fundersnot available
KeywordsChemistryDeprotonationHydrogen bondChelationCrystallographyCrystal structureMalonic acidLigand (biochemistry)Coordination polymerMalonateAtom (system on chip)IonMedicinal chemistryStereochemistryBioinformaticsMoleculeInorganic chemistryReceptorOrganic chemistry

Abstract

fetched live from OpenAlex

The asymmetric unit of the title polymer, [Co2(C3H3O4)2Cl2(H2O)2] n , comprises one Co(II) atom, one water mol-ecule, one singly deprotonated malonic acid mol-ecule (HMal(-); systematic name 2-carb-oxy-acetate) and one Cl(-) anion. The Co(II) atom is octa-hedrally coordinated by the O atom of a water mol-ecule, by one terminally bound carboxyl-ate O atom of an HMal(-) anion and by two O atoms of a chelating HMal(-) anion, as well as by two Cl(-) anions. The Cl(-) anions bridge two Co(II) atoms, forming a centrosymmetric Co2Cl2 core. Each malonate ligand is involved in the formation of six-membered chelate rings involving one Co(II) atom of the dinuclear unit and at the same time is coordinating to another Co(II) atom of a neighbouring dinuclear unit in a bridging mode. The combination of chelating and bridging coordination modes leads to the formation of a two-dimensional coordination polymer extending parallel to (001). Within a layer, O-Hwater⋯Cl and O-Hwater⋯O hydrogen bonds are present. Adjacent layers are linked through O-H⋯O=C hydrogen bonds involving the carb-oxy-lic acid OH and carbonyl groups.

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), Science and technology studies, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.946
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0020.006
Science and technology studies0.0020.003
Scholarly communication0.0000.001
Open science0.0050.002
Research integrity0.0020.003
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 head0.020
GPT teacher head0.244
Teacher spread0.224 · 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

Citations0
Published2015
Admission routes1
Has abstractyes

Explore more

Same venueActa Crystallographica Section E Crystallographic CommunicationsSame topicMetal-Organic Frameworks: Synthesis and ApplicationsFrench-language works237,207