Three Guest-Including Coordination Solids from a Single Crystallization: A Discrete Cage and Open-Channel Networks from 1-D Ladders and 1-D Ribbons
Bibliographic record
Abstract
A study of the coordination assemblies that result from the complexation of 1,3,5-tri(4-sulfophenyl)benzene, L3-, with copper(II) in the presence of pyridine is presented. The present results offer some insights into the subtleties of designing coordination polymers and open-channel solids. From an initial crystallization, three different single crystalline solids, 1-3, are obtained. Compounds 1 and 2 are Cu pyridyl complexes of the trianionic form of the ligand whereas compound 3 is a Cu pyridyl complex of the monoprotonated form, HL2-. Compound 1 is a discrete cage complex. Compound 2 is a 1-D ladder structure that has open channels, and compound 3 is a 1-D ribbon structure that assembles into open channels. All three complexes form from the same crystallization in a ratio of 90:9:1, and all three have the same Cu coordination sphere. The exact ratio of products can be altered by varying the Cu counterion or by the addition of methanol. Addition of hexamethylenetetramine results in the exclusive formation of a different network, 4, which is structurally almost identical to the minor product 3. Single-crystal structures of all four solids are presented along with thermal analysis and IR data for the major products. A number of insights into formation of coordination assemblies are obtained. Compound 3 is discussed as an intermediate to 2, and compounds 3 and 4 offer a design paradigm for the formation of open-channel solids from 1-D building blocks.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".