{"id":"W3102478926","doi":"10.1016/j.chempr.2020.10.022","title":"Open versus Interpenetrated: Switchable Supramolecular Trajectories in Mechanosynthesis of a Halogen-Bonded Borromean Network","year":2020,"lang":"en","type":"article","venue":"Chem","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":25,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"European Social Fund; European Research Council; Natural Sciences and Engineering Research Council of Canada","keywords":"Supramolecular chemistry; Halogen; Mechanosynthesis; Halogen bond; Solvent; Ionic bonding; Chemistry; Materials science; Crystallography; Topology (electrical circuits); Nanotechnology; Crystal structure; Organic chemistry; Ion; Alkyl; Engineering","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0000776777,0.0001791627,0.0003090493,0.0000433781,0.00004707493,0.00006024493,0.0005546629,0.0001354939,0.001058198],"category_scores_gemma":[0.0001545401,0.0001975908,0.0001556504,0.0004731631,0.00004604366,0.0001112,0.000212638,0.0002267794,0.000006499091],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003884035,"about_ca_system_score_gemma":0.00006950787,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003369067,"about_ca_topic_score_gemma":0.0003886846,"domain_scores_codex":[0.9989076,0.00002339534,0.0003106681,0.0003437762,0.0001367783,0.000277838],"domain_scores_gemma":[0.999332,0.00008965075,0.0001107569,0.000303254,0.00005099966,0.0001133793],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0005362213,0.0001234913,0.0005127393,0.0001109106,0.0001484863,0.00004919482,0.000672979,0.0001726467,0.9956573,0.0007535869,0.0009015535,0.0003608553],"study_design_scores_gemma":[0.001110966,0.0000833935,0.00005309685,0.00009353942,0.0000557719,0.000004116746,0.00111349,0.0002788509,0.9861717,0.0003057958,0.01050073,0.0002285805],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9571664,0.0003929797,0.0005847981,0.0004433858,0.0001999865,0.0002011886,0.00005163999,0.00008546084,0.04087419],"genre_scores_gemma":[0.9989529,0.00001874525,0.0006468191,0.0001100941,0.00006587463,0.00004331376,0.00005464,0.00003017186,0.00007744547],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04178652,"threshold_uncertainty_score":0.999855,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03611241042425627,"score_gpt":0.2663452126235456,"score_spread":0.2302328021992893,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}