{"id":"W2799274211","doi":"10.1039/c8nj01368c","title":"Comparison of isomeric<i>meta</i>- and<i>para</i>-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","year":2018,"lang":"en","type":"article","venue":"New Journal of Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":53,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Hrvatska Zaklada za Znanost","keywords":"Chemistry; Halogen; Halogen bond; Crystal structure; Crystal engineering; Crystal (programming language); Crystallography; Stereochemistry; Polymer chemistry; Organic chemistry; Supramolecular 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":[0.000157715,0.0001597985,0.0001622892,0.0001656144,0.0001285015,0.0003213639,0.0002806465,0.0001074968,0.0008954872],"category_scores_gemma":[0.0002657046,0.0001146429,0.00009366879,0.0002474446,0.0001352721,0.0002008754,0.0001126334,0.000217363,0.0001744058],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000344344,"about_ca_system_score_gemma":0.0002770197,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001485523,"about_ca_topic_score_gemma":0.003324496,"domain_scores_codex":[0.9998922,0.00001908815,0.000007818684,0.00001979217,0.00003704505,0.00002395424],"domain_scores_gemma":[0.9998914,0.00002835011,0.00002258939,0.00001232108,0.00002459385,0.00002067233],"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":[0.0002589145,0.00008671458,0.001548359,0.0001045526,0.00001632229,0.00009428628,0.00004853113,0.0009045274,0.9860569,0.00104605,0.0001553732,0.009679411],"study_design_scores_gemma":[0.00002445888,0.0002201067,0.00110014,0.000005054698,0.00001542797,0.0001367489,0.00002769605,0.001109633,0.9948709,0.00004217986,0.002443925,0.000003706973],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9888273,0.002053907,0.002915269,0.00003936149,0.000009764456,0.00003085738,0.000190756,0.00002987644,0.005902842],"genre_scores_gemma":[0.9918178,0.00187357,0.004432127,0.00001709893,0.000004267722,0.00002475549,0.0003005439,0.00002263342,0.001507122],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001485523,"threshold_uncertainty_score":0.002995729,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01883194565549364,"score_gpt":0.2845072658870869,"score_spread":0.2656753202315933,"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."}}