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Record W3007484963 · doi:10.1107/s2056989020002492

Synthesis and crystal structure of (1,4,7,10-tetraazacyclododecane-κ<sup>4</sup> <i>N</i>)(tetrasulfido-κ<sup>2</sup> <i>S</i> <sup>1</sup>,<i>S</i> <sup>4</sup>)manganese(II)

2020· article· en· W3007484963 on OpenAlex

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 E Crystallographic Communications · 2020
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Compounds Synthesis and Characterization
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsCyclenCrystallographyChemistryLigand (biochemistry)Crystal structureHydrogen bondIonX-ray crystallographyStereochemistryMoleculeDiffractionPhysics

Abstract

fetched live from OpenAlex

The title compound, [Mn(S 4 )(C 8 H 20 N 4 )], was accidentally obtained by the hydrothermal reaction of Mn(ClO 4 ) 2 ·6H 2 O, cyclen (cyclen = 1,4,7,10-tetraazacyclododecane) and Na 3 SbS 4 ·9H 2 O in water at 413 K, indicating that polysulfide anions might represent intermediates in the synthesis of thiometallate compounds using Na 3 SbS 4 ·9H 2 O as a reactant. X-ray powder diffraction proves that the sample is slightly contaminated with NaSb(OH) 6 and an unknown crystalline phase. The crystal investigated was twinned with a twofold rotation axis as the twin element, and therefore a twin refinement using data in HKLF-5 format was performed. The asymmetric unit of the title compound consists of one Mn II cation, one [S 4 ] 2− anion and one cyclen ligand in general positions. The Mn II cation is sixfold coordinated by two cis -S atoms of the [S 4 ] 2− anions, as well as four N atoms of the cyclen ligand within an irregular coordination. The complexes are linked via pairs of N—H...S hydrogen bonds into chains, which are further linked into layers by additional N—H...S hydrogen bonding. These layers are connected into a three-dimensional network by intermolecular N—H...S and C—H...S hydrogen bonding. It is noted that only one similar complex with Mn II is reported in the literature.

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)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, 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: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.931
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0030.003
Meta-epidemiology (broad)0.0030.002
Bibliometrics0.0020.007
Science and technology studies0.0040.003
Scholarly communication0.0010.002
Open science0.0050.003
Research integrity0.0020.004
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 head0.015
GPT teacher head0.218
Teacher spread0.203 · 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