{"id":"W4403292934","doi":"10.1021/acs.cgd.4c01044","title":"Investigation of Supramolecular Self-Assembly in Sn(IV)-5,10,15,20-tetra(4-bromo-2,6-difluorophenyl) Porphyrins Mediated through Activated Sigma Hole","year":2024,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Porphyrin and Phthalocyanine Chemistry","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Science and Engineering Research Board","keywords":"Tetra; Supramolecular chemistry; Chemistry; Porphyrin; Crystallography; Self-assembly; Stereochemistry; Supramolecular assembly; Medicinal chemistry; Crystal structure; Photochemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.00006962501,0.0001526648,0.0001124292,0.00006469022,0.00008479325,0.0001256268,0.0001855232,0.0001476403,0.0004712685],"category_scores_gemma":[0.0000932581,0.00008436079,0.00009034653,0.00005492608,0.0001412409,0.0001204935,0.0001405432,0.0001479311,0.00009549784],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001567703,"about_ca_system_score_gemma":0.00009875528,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002582316,"about_ca_topic_score_gemma":0.0003860721,"domain_scores_codex":[0.9999374,0.00001038947,0.000002972542,0.00001533292,0.00002094999,0.00001292146],"domain_scores_gemma":[0.999954,0.000008228185,0.00001735917,0.000003554057,0.000006519279,0.00001027205],"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":[0.00002865973,0.000008930818,0.0001140905,0.00002817851,0.000004167798,0.00002376805,0.00001294959,0.0000839659,0.998998,0.00004161965,0.00000864087,0.0006470639],"study_design_scores_gemma":[0.000005076188,0.0001371836,0.001035158,0.00000207327,0.000006529414,0.00005574424,0.00001334432,0.0008702475,0.9974328,0.00001200724,0.0004275505,0.00000223496],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9982304,0.0002534985,0.001033365,0.00001628503,0.00000353234,0.00001382844,0.00001866033,0.00002181803,0.0004085168],"genre_scores_gemma":[0.9984595,0.0001279639,0.0009643776,0.000009495567,0.000001076964,0.000008498533,0.00002907087,0.000003965637,0.0003959644],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0004712685,"threshold_uncertainty_score":0.001576543,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02314542516550052,"score_gpt":0.2374720271522026,"score_spread":0.2143266019867021,"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."}}