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Record W2889621630 · doi:10.1107/s2056989018010423

{<i>N</i> <sup>1</sup>-[2-(Butylselanyl)benzyl]-<i>N</i> <sup>2</sup>,<i>N</i> <sup>2</sup>-dimethylethane-1,2-diamine}dichloridomercury(II)

2018· article· en· W2889621630 on OpenAlexaff
Pushpendra Singh, Puspendra Singh, Ray J. Butcher

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2018
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversity of Toronto
FundersDivision of ChemistryScience and Engineering Research BoardDirectorate for Mathematical and Physical SciencesDepartment of Science and Technology, Ministry of Science and Technology, IndiaNational Science Foundation
KeywordsChemistryIntermolecular forceCrystallographySteric effectsHydrogen bondCoordination sphereAtom (system on chip)Supramolecular chemistrySquare pyramidal molecular geometryCoordination geometryCrystal structureStereochemistryMolecule

Abstract

fetched live from OpenAlex

In the title compound, [HgCl 2 (C 16 H 28 N 2 Se)], the primary geometry around the Se and Hg atoms is distorted trigonal–pyramidal and distorted square-pyramidal, respectively. The distortion of the molecular geometry in the complex is caused by the steric demands of the ligands attached to the Se atom. The Hg atom is coordinated through two chloride anions, an N atom and an Se atom, making up an unusual HgNSeCl 2 coordination sphere with an additional long Hg...N interaction. Intermolecular C—H...Cl interactions are the only identified intermolecular hydrogen-bonding interactions that seem to be responsible for the self assembly. These relatively weak C—H...Cl hydrogen bonds possess the required linearity and donor–acceptor distances. They act as molecular associative forces that result in a supramolecular assembly along the b- axis direction in the solid state of the title compound.

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.

How this classification was reachedexpand

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)0.002
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.898
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.001
Meta-epidemiology (narrow)0.0030.004
Meta-epidemiology (broad)0.0030.003
Bibliometrics0.0030.010
Science and technology studies0.0060.008
Scholarly communication0.0010.002
Open science0.0100.006
Research integrity0.0030.007
Insufficient payload (model declined to judge)0.0040.000

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 head0.015
GPT teacher head0.250
Teacher spread0.234 · 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

Classification

machine, unvalidated

Machine predicted; both teacher heads agree on what is shown here.

Study designNot applicable
Domainnot available
GenreEmpirical

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".

Quick stats

Citations0
Published2018
Admission routes1
Has abstractyes

Explore more

Same venueActa Crystallographica Section E Crystallographic CommunicationsSame topicCrystal structures of chemical compoundsFrench-language works237,207