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Record W2589208816 · doi:10.1107/s2056989017002791

Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal–organic chain, network and framework structures

2017· article· en· W2589208816 on OpenAlexaff
Tokouré Assoumatine, H. Stoeckli‐Evans

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2017
Typearticle
Languageen
FieldMedicine
TopicMetal complexes synthesis and properties
Canadian institutionsCanAm Bioresearch (Canada)
FundersSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen ForschungNational Science Foundation
KeywordsPyrazineChemistryDenticityLigand (biochemistry)Coordination sphereBridging ligandMetalSilver nitrateCrystallographyMedicinal chemistryStereochemistryInorganic chemistryCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

The reaction of the ligand 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine ( L1 ) with silver(I) nitrate led to {[Ag(C 12 H 20 N 2 S 4 )](NO 3 )} n , (I), catena -poly[[silver(I)- μ -2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine] nitrate], a compound with a metal–organic chain structure. The asymmetric unit is composed of two half ligands, located about inversion centres, with one ligand coordinating to the silver atoms in a bis-tridentate manner and the other in a bis-bidentate manner. The charge on the metal atom is compensated for by a free nitrate anion. Hence, the silver atom has a fivefold S 3 N 2 coordination sphere. The reaction of the ligand 2,3,5,6-tetrakis[(phenylsulfanyl)methyl]pyrazine ( L2 ) with silver(I) nitrate, led to [Ag 2 (NO 3 ) 2 (C 32 H 28 N 2 S 4 )] n , (II), poly[di- μ -nitrato-bis{ μ -2,3,5,6-tetrakis[(phenylsulfanyl)methyl]pyrazine}disilver], a compound with a metal–organic network structure. The asymmetric unit is composed of half a ligand, located about an inversion centre, that coordinates to the silver atoms in a bis-tridentate manner. The nitrate anion coordinates to the silver atom in a bidentate/monodentate manner, bridging the silver atoms, which therefore have a sixfold S 2 NO 3 coordination sphere. The reaction of the ligand 2,3,5,6-tetrakis[(pyridin-2-ylsulfanyl)methyl]pyrazine ( L3 ) with silver(I) nitrate led to [Ag 3 (NO 3 ) 3 (C 28 H 24 N 6 S 4 )] n , (III), poly[trinitrato{ μ 6 -2,3,5,6-tetrakis[(pyridin-2-ylsulfanyl)methyl]pyrazine}trisilver(I)], a compound with a metal–organic framework structure. The asymmetric unit is composed of half a ligand, located about an inversion centre, that coordinates to the silver atoms in a bis-tridentate manner. One pyridine N atom bridges the monomeric units, so forming a chain structure. Two nitrate O atoms also coordinate to this silver atom, hence it has a sixfold S 2 N 2 O 2 coordination sphere. The chains are linked via a second silver atom, located on a twofold rotation axis, coordinated by the second pyridine N atom. A second nitrate anion, also lying about the twofold rotation axis, coordinates to this silver atom via an Ag—O bond, hence this second silver atom has a threefold N 2 O coordination sphere. In the crystal of (I), the nitrate anion plays an essential role in forming C—H...O hydrogen bonds that link the metal–organic chains to form a three-dimensional supramolecular structure. In the crystal of (II), the metal–organic networks (lying parallel to the bc plane) stack up the a- axis direction but there are no significant intermolecular interactions present between the layers. In the crystal of (III), there are a number of C—H...O hydrogen bonds present within the metal–organic framework. The role of the nitrate anion in the formation of the coordination polymers is also examined.

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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
Consensus categoriesScience and technology studies
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.911
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0030.004
Scholarly communication0.0000.001
Open science0.0020.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0000.000

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 head0.054
GPT teacher head0.290
Teacher spread0.235 · 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 designObservational
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

Citations4
Published2017
Admission routes1
Has abstractyes

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Same venueActa Crystallographica Section E Crystallographic CommunicationsSame topicMetal complexes synthesis and propertiesFrench-language works237,207