A synthetic, structural, and <sup>113</sup>Cd NMR study of cadmium complexes of 1,3-thiazolidine-2-thionate, including the structures of Cd(C<sub>3</sub>H<sub>4</sub>NS<sub>2</sub>)<sub>2</sub>, (Cd(C<sub>3</sub>H<sub>4</sub>NS<sub>2</sub>)<sub>2</sub>(C<sub>5</sub>H<sub>5</sub>N)<sub>3</sub>·C<sub>5</sub>H<sub>5</sub>N, and (Ph<sub>4</sub>P)<sub>2</sub>[I<sub>2</sub>Cd(µ-C<sub>3</sub>H<sub>4</sub>NS<sub>2</sub>)<sub>2</sub>CdI<sub>2</sub>]
Bibliographic record
Abstract
The crystallization of cadmium bis(1,3-thiazolidine-2-thionate), Cd(C3H4NS2)2 (1), is reported. Freshly prepared 1 reacts with Ph4P+X in a 1:2 ratio to give (Ph4P)2[Cd2(C3H4NS2)2X4] (X = I (4) or Br (5)). Crystallization of 1 from pyridine produces a solvate 7, which loses pyridine readily. X-ray analyses show that 1 has a polymeric sheet structure in which the C3H4NS2 ligands act as bidentate bridges through N and the exocyclic S and the Cd has a CdN2S2 kernel; 5 is isomorphous with 4, which contains a dimeric anion again with bridging through the N and exocyclic S of the heterocyclic ligands; and 7 is Cd(C3H4NS2)2(C5H5N)3·C5H5N, containing trigonal bipyramidal Cd(C3H4NS2)2(C5H5N)3 molecules, in which the C3H4NS2 ligands, both of which are monodentate and in equatorial positions, occur as a unique combination of S- and N-bound. Cadmium-113 NMR data for 1 in pyridine solution and solid-state CP-MAS 113Cd data for 1, 7, bis(pyridinium-4-thiolate)cadmium, and tetrakis(pyridinium-2-thiolate)cadmium nitrate are reported and discussed. The compound 1 has chemical and NMR spectroscopic properties that make it a useful standard for solid-state CP-MAS 113Cd NMR spectroscopy. Key words: cadmium, 1,3-thiazolidine-2-thionate, X-ray analysis, solid-state 113Cd NMR, 113Cd NMR standard compound.
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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 | 0.000 | 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".