{"id":"W4388760922","doi":"10.1021/acs.organomet.3c00362","title":"Mechanism of Perfluoro-Nickelacyclopentane Formation from Tetrafluoroethylene: Effects of Ancillary Ligand Bite Angle","year":2023,"lang":"en","type":"article","venue":"Organometallics","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Arkema; Natural Sciences and Engineering Research Council of Canada; Mitacs","keywords":"Bite angle; Chemistry; Metallacycle; Denticity; Ligand (biochemistry); Trigonal bipyramidal molecular geometry; Transition state; Chelation; Stereochemistry; Phosphine; Crystallography; Photochemistry; Catalysis; Crystal structure; Organic chemistry; X-ray crystallography","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":[0.0001519326,0.0005536806,0.0002622153,0.0001716327,0.0003432791,0.0003543407,0.0006044098,0.0004791926,0.004274714],"category_scores_gemma":[0.0002654575,0.0002340885,0.0002564056,0.00009752802,0.0002838587,0.000663098,0.0004016284,0.0004949673,0.0007447053],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004034387,"about_ca_system_score_gemma":0.0002430773,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008157557,"about_ca_topic_score_gemma":0.001310953,"domain_scores_codex":[0.9998873,0.00001337833,0.000005812996,0.00002154902,0.00002323999,0.00004866248],"domain_scores_gemma":[0.999946,0.00001191316,0.00001162486,0.000008382997,0.000007486116,0.00001452679],"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":[0.000649343,0.0001892296,0.001636735,0.0007167427,0.00004673072,0.00222907,0.0005818795,0.002527799,0.9638655,0.01086154,0.001271065,0.01542444],"study_design_scores_gemma":[0.00007325895,0.0005462509,0.001803283,0.00002533853,0.00001949227,0.0008978498,0.0001288661,0.004905124,0.9848279,0.0008654479,0.005874902,0.00003225246],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9785311,0.001318384,0.004304019,0.000288439,0.00007017456,0.0001310003,0.0002950509,0.0001906684,0.01487126],"genre_scores_gemma":[0.9962308,0.0004647925,0.0008489072,0.00002282491,0.000005077881,0.00004132615,0.0001390212,0.00001397424,0.002233124],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004274714,"threshold_uncertainty_score":0.01430041,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04338051541937546,"score_gpt":0.3427543735875564,"score_spread":0.299373858168181,"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."}}