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Record W2076260474 · doi:10.1021/cg034248m

Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations

2004· article· en· W2076260474 on OpenAlexaff
N.D. Draper, Raymond J. Batchelor, Daniel B. Leznoff

Bibliographic record

VenueCrystal Growth & Design · 2004
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsSimon Fraser University
Fundersnot available
KeywordsChemistryDiethylenetriamineChlorideCationic polymerizationCyanideTransition metalCrystallographyHydroxymethylStereochemistryEthylenediamineMedicinal chemistryPolymer chemistryInorganic chemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

A series of complexes containing [ML x ]Cl 2 (M = Mn, Cu, Ni; L = 2,2‘-bipyridine (bipy), 1,10-phenanthroline (phen), 2,2‘:6‘,6‘ ‘-terpyridine (terpy), diethylenetriamine (dien), tris(2-aminoethyl)amine (tren); x = 1 or 2) and linear, neutral Hg(CN) 2 building blocks have been synthesized and structurally characterized. In general, the Lewis acidic Hg(CN) 2 moieties accept chloride ligands from the M(II) centers, in several cases increasing the structural dimensionality of the system as a result. [ML 2 (μ-Cl) 2 Hg(CN) 2 ] (M = Mn, Ni; L = bipy, phen) ( 1 − 4 ) are molecular complexes in which the chloride ligands bridge the M(II) and mercury(II) centers; π···π stacking between the aromatic rings from different molecules increases the structural dimensionality. [Cu(terpy)Cl 2 (μ-Hg(CN) 2 )] ( 5 ) is an alternating 1-D chain of Cu(terpy)Cl 2 and Hg(CN) 2 moieties in which the chloride ligands bridge to different mercury(II) centers. When two phen ligands are used with copper(II), an additional Hg(CN) 2 unit is incorporated to form {[Cu(phen) 2 Cl] 2 Hg(CN) 2 [Hg(CN) 2 Cl] 2 } ( 6 ), an alternating 1-D chain of [Hg(CN) 2 Cl] 2 2- dimers that are N-bound to Hg(CN) 2 units that also bind to dangling [Cu(phen) 2 Cl] + moieties. In [Cu(dien)Cl][Hg(CN) 2 Cl] ( 7 ), 1-D chloride bridged [Hg(CN) 2 Cl] n n - double salt chains formed in situ during polymer formation are held in place by chloride bridged [Cu(dien)Cl] 2 2+ cationic dimers to form a 2-D brick-wall layer motif. Two 1-D double salt chains, one cationic and one anionic, which hydrogen bond together to form neutral columns are generated in [Cu(tren)Hg(CN) 2 Cl][HgX 2 Cl] ( 8 ). N-cyano coordination and chloride bridging from Hg(CN) 2 and chloride ligands in {[Ni(tren)] 4 [Hg(CN) 2 ] 8 Cl 6 }HgCl 4 ( 9 ) generate 1-D cationic columns of {[Ni(tren)] 4 [Hg(CN) 2 ] 8 Cl 6 } n 2 n + which hydrogen bond to tetrahedral [HgCl 4 ] 2- moieties, increasing the structural dimensionality of this noncentrosymmetric complex. Factors influencing the structural dimensionality and the induction of N-cyano bridging are discussed.

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 score0.001
Threshold uncertainty score0.004

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 integrity0.0000.000
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 head0.015
GPT teacher head0.220
Teacher spread0.205 · 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

Citations46
Published2004
Admission routes1
Has abstractyes

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