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Record W2609637341 · doi:10.1107/s2056989017006090

Crystal structure of aqua-<i>trans</i>-bis(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ<sup>3</sup> <i>O</i> <sup>2</sup>,<i>N</i>,<i>O</i> <sup>6</sup>)nickel(II)

2017· article· en· W2609637341 on OpenAlexafffund
Chen Liu, Ashley C. Felts, Daisuke Takahashi, Wynnry Kinden, Khalil A. Abboud

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2017
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsMemorial University of Newfoundland
FundersMemorial University of NewfoundlandUniversity of FloridaNational Science Foundation
KeywordsPyridineMoleculeDimethyl sulfoxideNickelChemistryCrystal structureOctahedronHydrogen bondCrystallographyCobaltSulfoxideCrystal (programming language)StereochemistryMedicinal chemistryInorganic chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

In the title complex, [Ni(C 7 H 3 NO 4 )(C 2 H 6 OS) 2 (H 2 O)], the Ni II cation is situated on a twofold rotation axis and exhibits a distorted octahedral NO 5 coordination environment defined by a tridentate pyridine-2,6-dicarboxylic acid dianion (dpa 2− ), two dimethyl sulfoxide (DMSO) molecules, and a water molecule. In the crystal, the complex molecules are linked by O—H...O and C—H...O hydrogen bonds into a three-dimensional network whereby DMSO molecules from neighboring complexes overlap to form layers parallel to (001), alternating with layers of Ni II –dpa 2− moieties. The title complex is isotypic with its cobalt(II) analogue.

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)0.002
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Open science, 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 score0.943
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.002
Meta-epidemiology (narrow)0.0030.003
Meta-epidemiology (broad)0.0030.003
Bibliometrics0.0020.005
Science and technology studies0.0090.006
Scholarly communication0.0010.002
Open science0.0120.004
Research integrity0.0030.006
Insufficient payload (model declined to judge)0.0030.000

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 head0.016
GPT teacher head0.245
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; 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
Published2017
Admission routes2
Has abstractyes

Explore more

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