Ethane-1,2-diphosphonic acid as a building block in supramolecular chemistry; a pillared-layer framework and framework-encapsulated cations
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Bibliographic record
Abstract
The 1:1 adduct of piperazine and ethane-1,2-diphosphonic acid is a salt [C(4)H(12)N(2)](2+).[C(2)H(6)O(6)P(2)](2-), in which both ions lie across centres of inversion in space group P2(1)/c. The anions are linked by a single type of O-H...O hydrogen bond [O...O, 2.562 (3) A; H...O, 1.73 A, O-H...O, 169 degrees ] into (6, 3) nets built from a single type of R(4)(4)(22) ring. The cations lie between these nets, linked to them by two types of N-H...O hydrogen bond [N...O, 2.635 (3) and 2.735 (3) A; H...O 1.72 and 1.82 A, N-H...O, 175 and 177 degrees ] such that the cations link adjacent sheets, thus forming a pillared-layer framework. The aquated adduct formed between trimethylenedipiperidine and ethane-1,2-diphosphonic acid is also a salt [C(13)H(28)N(2)](2+).[C(2)H(6)O(6)P(2)](2-).2.8[H(2)O], in which there are 12 different types of hydrogen bond, eight O-H...O and four N-H...O. The anions are linked into chains by pairs of O-H...O hydrogen bonds and these chains are linked by the water molecules into a continuous three-dimensional framework. Within the anion/water framework are large voids which contain pairs of cations, linked to the framework by N-H...O hydrogen bonds.
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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 | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.003 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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 it