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Record W1974949926 · doi:10.1039/b212318e

Coordination and hydrogen bonded networks featuring 4,4′-dicarboxy-2,2′-bipyridine (H2dcbp): structural characterisation of H2dcbp, [Co(dcbp)(H2O)4]·4H2O, and {[Cu(dcbp)(H2O)2]·2H2O}n

2003· article· en· W1974949926 on OpenAlexaff
Eithne Tynan, Paul R. Jensen, Paul E. Kruger, Anthea C. Lees, M. Nieuwenhuyzen

Bibliographic record

VenueDalton Transactions · 2003
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsQueen's University
FundersEnterprise Ireland
KeywordsChemistryHydrogen bondDeprotonationCrystallographyDenticityMoleculeCarboxylateCoordination polymerDihedral angle4,4'-BipyridineCrystal structure2,2'-BipyridineStereochemistryIonOrganic chemistry

Abstract

fetched live from OpenAlex

We report herein the single crystal structures of 4,4′-dicarboxy-2,2′-bipyridine, H2dcbp, and two complexes it forms with Co(II), [Co(dcbp)(H2O)4]·4H2O, 1, and Cu(II), {[Cu(dcbp)(H2O)2]·2H2O}n, 2. H2dcbp adopts the anti conformation in the solid-state, with a dihedral angle of 148° between each pyridyl ring. Face-to-face π⋯π interactions reinforce intermolecular hydrogen bonding (O–H⋯N) involving both carboxylate oxygen and pyridyl nitrogen atoms forming a 2D inter-helical network. Alternate 2D layers are of opposite chirality and are linked into 3D through (C–H⋯O) hydrogen bonds. In both 1 and 2 the ligand is deprotonated giving neutral complexes with 1 ∶ 1 stoichiometry. Although 1 is monomeric, extensive hydrogen bonding between the deprotonated carboxylates, lattice water, and coordinated water molecules results in a 3D network which also contains face-to-face π⋯π interactions between adjacent dcbp ligands. Within 2, pseudo-octahedral coordination about the Cu(II) centre is furnished by bidentate bipyridyl nitrogens, two monodentate carboxylates (from two adjacent dcbp ligands) and two water molecules. Coordination of dcbp in this instance forms a 2D coordination polymer, which is further linked by extensive hydrogen bonding between carboxylates and water molecules, giving a 3D network.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
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 score0.036
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0010.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
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 head0.010
GPT teacher head0.228
Teacher spread0.218 · 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 teacher head, not a consensus.

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

Citations59
Published2003
Admission routes1
Has abstractyes

Explore more

Same venueDalton TransactionsSame topicMetal-Organic Frameworks: Synthesis and ApplicationsFrench-language works237,207