Polymorphism and Pseudopolymorphism of the [Ni(4-Methylpyridine)<sub>4</sub>(NCS)<sub>2</sub>] Werner Complex, the Compound that Led to the Concept of “Organic Zeolites”
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
The inclusion chemistry of the title complex was revisited in the context of three topical problems of present-day crystal engineering: conventional and pseudo-polymorphism, the design of organic zeolite mimics, and the creation of “third generation” porous metal−organic frameworks. The crystal structures of dense (α) and microporous (β) polymorphs of the complex were redetermined and two new crystal structures were studied: β- and γ-inclusion phases of the complex (1:1 and 1:2 host-to-guest ratio, respectively) with benzene as the simplest aromatic guest. Although both the β- and γ-crystal architectures display a remarkable adaptability toward inclusion of various guests, the mechanisms of this adaptability are essentially different. The microporous β-phase is capable of expanding by 14.5% in response to the size of the included guest or variations in temperature. This flexibility is the highest ever observed for a metal−organic microporous framework and is responsible for the zeolitic behavior of the material. In contrast, the γ-phase shows an ability to transform to a number of architectures that are topologically similar but crystallographically different.
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.
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.002 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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 it