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Record W2532720777 · doi:10.1107/s2056989016016637

Crystal structure of <i>catena</i>-poly[bis(tetraethylammonium) [tetraaquatris(μ-dicyanamido-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>5</sup>)bis(dicyanamido-κ<i>N</i> <sup>1</sup>)dicobaltate(II)] dicyanamide]

2016· article· en· W2532720777 on OpenAlexaff
Chen Liu, Annaliese E. Thuijs, Khalil A. Abboud

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2016
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsDicyanamideChemistryCrystal structureCrystallographyTetraethylammoniumStereochemistryIonic liquidOrganic chemistryPotassium

Abstract

fetched live from OpenAlex

The structure of the title compound, [N(C 2 H 5 ) 4 ] 2 [Co 2 (C 2 N 3 ) 5 (H 2 O) 4 ](C 2 N 3 ), is a new example of a metal–dicyanamide coordination polymer which exhibits a unique three-dimensional framework of covalently linked Co II chains. All bridging dicyanamide ligands in the title structure are in the μ 1,5 -bridging mode. The anionic Co II -dicyanamide network is templated by tetraethylammonium cations residing in a series of channels extending along the b axis where additional non-coordinating dicyanamidate anions are also located. The framework structure is further stabilized by O—H...N hydrogen bonding between aqua ligands and dicyanamido ligands or the dicyanamide anion. In addition, C—H...N interactions are present between the tetraethylammonium cations and dicyanamide amide nitrogen atoms.

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)0.003
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: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.886
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0030.002
Meta-epidemiology (narrow)0.0040.004
Meta-epidemiology (broad)0.0050.004
Bibliometrics0.0050.013
Science and technology studies0.0060.008
Scholarly communication0.0010.003
Open science0.0110.004
Research integrity0.0050.007
Insufficient payload (model declined to judge)0.0050.000

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 head0.013
GPT teacher head0.232
Teacher spread0.219 · 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 designNot applicable
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
Published2016
Admission routes1
Has abstractyes

Explore more

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