<i>catena</i> -Poly[[(5,5′-dimethyl-2,2′-bipyridine)nickel(II)]-μ <sub>2</sub> -azido-κ <sup>2</sup> <i>N</i> : <i>N</i> -μ <sub>2</sub> -azido-κ <sup>2</sup> <i>N</i> : <i>N</i> ′]: synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations
Bibliographic record
Abstract
The title compound, [Ni(N 3 ) 2 (C 12 H 12 N 2 )] n , was synthesized solvothermally and characterized crystallographically. The compound forms a one-dimensional coordination polymer containing alternating spiro-fused four- and eight-membered rings, in which both ring types are centrosymmetric. Adjacent polymer chains are linked into sheets by means of a single C—H...N hydrogen bond. Hirshfeld surface analysis was used to investigate the intermolecular interactions. DFT calculations were used to explore the conformation of the bridging azides and to compare the stability of this compound with those previously reported [Setifi et al. (2022). Acta Cryst . C 78 , 449–454].
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How this classification was reachedexpand
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 | 0.003 | 0.001 |
| Meta-epidemiology (narrow) | 0.003 | 0.003 |
| Meta-epidemiology (broad) | 0.003 | 0.003 |
| Bibliometrics | 0.005 | 0.017 |
| Science and technology studies | 0.007 | 0.004 |
| Scholarly communication | 0.001 | 0.003 |
| Open science | 0.004 | 0.003 |
| Research integrity | 0.002 | 0.003 |
| 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 itClassification
machine, unvalidatedMachine predicted; both teacher heads agree on what is shown here.
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".