Structural studies of the boron coordination compound with thiourea
Bibliographic record
Abstract
In the course of systematic structural studies of dicitratoborates the investigation of the crystal structure of NH2CSHNH2[(C6H6O7)2B] has been carried out. The dicitratoborate complex with thiourea (L) was synthesized according to [1]. The structure is formed by cations of thiourea (HL) + and spiran-type complex anions [(C6H6O7)2B] -. In the complex anions two citric acid resides are coordinated bidentatically to the BO4-terahedron. The values of the chemical bond lengths and bond angles in the complex anions are in accordance with those determined earlier for the crystal structures of dicitratoborates. The boron-containing five-membered rings are approximately planar. The cation (NH2CSHNH2) + is protonated at the sulphur atom. The protonation gives rise to delocalization of p-electron density at the C-S and N-C bonds. The bond lengths are: C-S 1.738(2) ; N-C 1.317(3) and 1.298(3) . The bond C(sp 2 )-S is lengthened for 0.10 , but the C(sp 2 )-N bonds are shortened for 0.04 in average in the cation (HL) + when compared with the neutral molecule (L). In the crystals each organic cation is bonded with three nonidentical complex anions by five hydrogen bonds N-H O (2+2) and S-H O. The complex anions are bonded directly by four strong hydrogen bonds O-H O (length from 2.589 to 2.692 ). Crystal data: NH2CSHNH2[(C6H6O7)2B], triclinic, space group P-1, a = 9.630(1) , b =10.320(2) , c=10.914(2) ; =76.86(1) o , =88.80(1) o , =64.26(1) o ; V=947.7(3) 3 ; Z=2; dx=1.641 g . cm -3 ; R=0.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.003 |
| Science and technology studies | 0.000 | 0.002 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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; a candidate call from one teacher head, 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".