{"id":"W4414867159","doi":"10.1002/ange.202517004","title":"Mechanochemical <i>Cis/Trans</i> Isomerization of a Metal Centre Involving a Metal‐Organic Halogen‐Bonded (MOXB) Cocrystal","year":2025,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"University of Birmingham; Leverhulme Trust; Hrvatska Zaklada za Znanost; McGill University","keywords":"Isomerization; Cocrystal; Mechanochemistry; Halogen bond; Halogen; Metal; Diffraction","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008032687,0.0001608495,0.0001687578,0.0000688835,0.0001222299,0.0002675313,0.000330306,0.000120586,0.001315097],"category_scores_gemma":[0.0001222078,0.000138257,0.00009284646,0.00009251998,0.0001986344,0.0001162049,0.0002314398,0.000274745,0.0002235683],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003342158,"about_ca_system_score_gemma":0.0001550996,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001150366,"about_ca_topic_score_gemma":0.001874981,"domain_scores_codex":[0.9999255,0.00000726951,0.000004601617,0.00001988675,0.00002101586,0.00002173842],"domain_scores_gemma":[0.9999511,0.000008434347,0.00001519153,0.000008200414,0.000006934769,0.00001022557],"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":[0.0000627386,0.00001451909,0.0001449,0.00003458974,0.000006236497,0.00005279243,0.00002876967,0.0001126545,0.9980158,0.0003600723,0.0001354558,0.001031592],"study_design_scores_gemma":[0.000008951952,0.00007954642,0.0006295809,0.000001400815,0.000003330686,0.00005737458,0.00001988977,0.0009726287,0.9971831,0.00001681724,0.001024073,0.000003322143],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955958,0.0001644013,0.001841988,0.0000484012,0.00001421412,0.00001175956,0.00007534683,0.00008359237,0.002164591],"genre_scores_gemma":[0.9977255,0.00009360854,0.001374974,0.00001493898,0.000002609292,0.00001121252,0.00005084727,0.00002827438,0.0006979086],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001315097,"threshold_uncertainty_score":0.004399419,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007961670050855733,"score_gpt":0.2255978689975827,"score_spread":0.2176361989467269,"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."}}