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(C 3 H 4 NS 2 ) 2 (1), is reported. Freshly prepared 1 reacts with Ph 4 P + X in a 1:2 ratio to give (Ph 4 P) 2 [Cd 2 (C 3 H 4 NS 2 ) 2 X 4 ] (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 C 3 H 4 NS 2 ligands act as bidentate bridges through N and the exocyclic S and the Cd has a CdN 2 S 2 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(C 3 H 4 NS 2 ) 2 (C 5 H 5 N) 3 ·C 5 H 5 N, containing trigonal bipyramidal Cd(C 3 H 4 NS 2 ) 2 (C 5 H 5 N) 3 molecules, in which the C 3 H 4 NS 2 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 113 Cd 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 113 Cd NMR spectroscopy. Key words: cadmium, 1,3-thiazolidine-2-thionate, X-ray analysis, solid-state 113 Cd NMR, 113 Cd NMR standard compound.
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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 | 0.033 | 0.022 |
| Meta-epidemiology (narrow) | 0.046 | 0.049 |
| Meta-epidemiology (broad) | 0.049 | 0.026 |
| Bibliometrics | 0.027 | 0.034 |
| Science and technology studies | 0.022 | 0.028 |
| Scholarly communication | 0.014 | 0.021 |
| Open science | 0.032 | 0.018 |
| Research integrity | 0.027 | 0.048 |
| Insufficient payload (model declined to judge) | 0.001 | 0.005 |
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".