{"id":"W4412871615","doi":"10.1021/acs.cgd.5c00835","title":"Crystallographic Snapshots of Pre- and Post-Lanthanide Halide Hydrolysis─Reaction Products Captured by the 4-Amino-1,2,4-triazole Ligand","year":2025,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Lanthanide and Transition Metal Complexes","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"iNano Medical (Canada)","funders":"Basic Energy Sciences; Office of Science; Novo Nordisk Fonden; U.S. Department of Energy; National Science Foundation; National Institutes of Health; National Institute of General Medical Sciences; Aarhus Universitet","keywords":"Halide; Chemistry; Lanthanide; Ligand (biochemistry); Hydrolysis; 1,2,4-Triazole; Triazole; Stereochemistry; Crystallography; Medicinal chemistry; Inorganic chemistry; Organic chemistry; Ion; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008469044,0.0002749882,0.0003994499,0.0001910881,0.0002813475,0.0001356437,0.0003218403,0.0001146678,0.00003426744],"category_scores_gemma":[0.0001863539,0.0001942852,0.00009792015,0.0005752931,0.0003373295,0.0003591191,0.0000707283,0.0001584216,0.000004272412],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001948274,"about_ca_system_score_gemma":0.00009488669,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005446037,"about_ca_topic_score_gemma":0.00003273133,"domain_scores_codex":[0.9979575,0.000349359,0.0004719881,0.0005168538,0.0003545673,0.000349765],"domain_scores_gemma":[0.9987581,0.0003078922,0.0002018085,0.0003915341,0.0002608543,0.00007979485],"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":[0.0003632879,0.00009620507,0.0001174496,0.000184836,0.00006426077,0.000006497742,0.0003600098,0.00002157015,0.9967546,0.0008066687,0.001158076,0.00006650126],"study_design_scores_gemma":[0.0006536182,0.0001741554,0.006423218,0.0000826458,0.0002210989,0.00004374774,0.0001759823,0.00007583048,0.9881504,0.003413868,0.0003644653,0.0002210138],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9862585,0.0020759,0.009139125,0.0006864126,0.0002811292,0.0007766518,0.0001213331,0.00008159198,0.0005793736],"genre_scores_gemma":[0.998621,0.0001049194,0.0004751603,0.0002642194,0.00005592413,0.00005152201,0.00005425075,0.00001936744,0.0003535937],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01236256,"threshold_uncertainty_score":0.7922722,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0126414015929228,"score_gpt":0.222315503304321,"score_spread":0.2096741017113982,"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."}}