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Record W1966641004 · doi:10.1107/s0108767302097672

Derivatives of substituted 3-trichlorogermyl propionic acid

2002· article· en· W1966641004 on OpenAlex
Masood Parvez, Karm Hans, Sajjad Ali, Muhammad Mazhar

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueActa Crystallographica Section A Foundations of Crystallography · 2002
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversity of Calgary
FundersGrantová Agentura České Republiky
KeywordsHydrogen bondMoleculeCrystallographyChemistryTetrahedral molecular geometryCarboxylic acidTetrahedronInversion (geology)StereochemistryCrystal structurePolymer chemistryOrganic chemistryGeology

Abstract

fetched live from OpenAlex

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.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.734
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.004
Science and technology studies0.0000.002
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0050.000

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.

Opus teacher head0.016
GPT teacher head0.232
Teacher spread0.217 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it