{"id":"W2038120714","doi":"10.1021/ic061899+","title":"Synthesis of [F<sub>3</sub>S⋮NXeF][AsF<sub>6</sub>] and Structural Study by Multi-NMR and Raman Spectroscopy, Electronic Structure Calculations, and X-ray Crystallography","year":2007,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":37,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Chemistry; Triple bond; Bond length; Crystallography; Raman spectroscopy; Molecular geometry; Nuclear magnetic resonance spectroscopy; Bond order; Crystal structure; Ionic bonding; Electronic structure; Single bond; Spectroscopy; Molecule; Double bond; Computational chemistry; Stereochemistry; Ion; Group (periodic table)","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002560166,0.0006690216,0.0006914858,0.00009614649,0.0003704658,0.0001262164,0.0003261637,0.0006587442,0.00008446928],"category_scores_gemma":[0.0001061507,0.0006465927,0.0001175442,0.0004097366,0.0004292525,0.0001511965,0.000262479,0.001005973,8.839656e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002034455,"about_ca_system_score_gemma":0.0001208888,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005941238,"about_ca_topic_score_gemma":0.00007714242,"domain_scores_codex":[0.9968859,0.00003290437,0.0007970488,0.0009632484,0.0004422815,0.0008786238],"domain_scores_gemma":[0.9983215,0.0002235968,0.0003806553,0.0006289487,0.0001265041,0.0003188213],"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":[0.0000835084,0.0001451083,0.01953055,0.0003615381,0.0004538666,0.00002462399,0.0003960542,0.000004324754,0.97778,0.00001213631,0.00008615106,0.001122089],"study_design_scores_gemma":[0.001697365,0.00007436579,0.01145121,0.00008167243,0.0003651066,0.000243121,0.00112303,0.0002176927,0.9838412,0.0001653959,0.00007242299,0.0006673473],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953005,0.003894226,0.00005248136,0.00005058882,0.00006134357,0.0002530075,0.0001265833,0.0001330458,0.0001282001],"genre_scores_gemma":[0.9988918,0.0005756705,0.0001302544,0.00002708915,0.0001649694,0.00000862565,0.00006955611,0.0001022793,0.00002974788],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008079336,"threshold_uncertainty_score":0.9995986,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002762180614719926,"score_gpt":0.1999136575072372,"score_spread":0.1971514768925172,"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."}}