{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001219823,0.0004203512,0.0005329895,0.0002159618,0.0003071571,0.0002206341,0.000527588,0.0003515026,0.002200805],"category_scores_gemma":[0.0002042392,0.000192629,0.000226551,0.0003782946,0.0001560005,0.0002650248,0.0001474118,0.0003132417,0.0009775748],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002786121,"about_ca_system_score_gemma":0.000419843,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001770951,"about_ca_topic_score_gemma":0.002294278,"domain_scores_codex":[0.9999126,0.000006249905,0.00000988964,0.00001520394,0.00004372545,0.00001226804],"domain_scores_gemma":[0.9998982,0.00000428062,0.00001560361,0.00001035965,0.00004578888,0.00002582507],"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":[0.0001440483,0.00004191805,0.000263638,0.000217796,0.00001687258,0.0001543916,0.00005284787,0.0009258674,0.9863571,0.001403343,0.0007846625,0.009637575],"study_design_scores_gemma":[0.00006686105,0.0003683848,0.001294272,0.00001716275,0.00002089693,0.0002474252,0.00003333377,0.002021193,0.9699668,0.0002653202,0.0256706,0.0000276663],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9666317,0.00101065,0.01905535,0.0002278168,0.0001761248,0.0004205755,0.002082776,0.0005905579,0.009804418],"genre_scores_gemma":[0.9053761,0.001747683,0.07113677,0.0001494074,0.00007390802,0.0005813665,0.002954963,0.0002718669,0.01770797],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002200805,"threshold_uncertainty_score":0.007362425,"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."}}