{"id":"W4401122253","doi":"10.1002/chem.202402851","title":"Why Are Some Pnictogen(III) Pincer Complexes Planar and Others Pyramidal?","year":2024,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Research Nova Scotia; Dalhousie University; Canada Foundation for Innovation; Alfred P. Sloan Foundation","keywords":"Pnictogen; Pincer movement; Ligand (biochemistry); Pincer ligand; Delocalized electron; Chemistry; Computational chemistry; Chemical physics; Crystallography; Catalysis; Condensed matter physics; Physics; Superconductivity; Organic chemistry","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":[0.0001167787,0.0002664677,0.0003339582,0.0001763578,0.0004092345,0.0009492944,0.0006401498,0.0003215628,0.003345529],"category_scores_gemma":[0.000612707,0.0003244161,0.0002133047,0.0002799752,0.0006994335,0.0007408585,0.0006590224,0.0005062577,0.0006103407],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003188569,"about_ca_system_score_gemma":0.0002196304,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009919121,"about_ca_topic_score_gemma":0.001389836,"domain_scores_codex":[0.9998511,0.00001111697,0.000006746242,0.00004398377,0.00003319749,0.00005369044],"domain_scores_gemma":[0.9999073,0.00001700743,0.00002678107,0.00001646782,0.00001521779,0.00001714754],"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":[0.001243474,0.0000788239,0.0128881,0.001497727,0.0002516893,0.002018447,0.0009647382,0.02282402,0.8046424,0.05325728,0.005800061,0.09453309],"study_design_scores_gemma":[0.0003481342,0.001237639,0.03400957,0.0001838609,0.000473054,0.007913164,0.006855614,0.04169768,0.7505604,0.07166421,0.08483566,0.0002210536],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9727256,0.001094395,0.01275689,0.0005097847,0.00002906952,0.00003171017,0.0003743316,0.0003002037,0.01217787],"genre_scores_gemma":[0.9958671,0.0004541335,0.00221553,0.0001091077,0.000004004738,0.00001530133,0.0003120014,0.00005029885,0.0009725014],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003345529,"threshold_uncertainty_score":0.0111919,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01435057442498154,"score_gpt":0.234643808933456,"score_spread":0.2202932345084744,"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."}}