{"id":"W4408832606","doi":"10.3390/cryst15040299","title":"Impressive 1D (Ferrocenyl⋯C6F5R⋯)n Stacking Due to Cooperative Interactions in N-(Ferrocenylmethyl)Pentafluorobenzenecarboxamide: Four Crystal Structures and Contacts Analyses in N-(Ferrocenylalkyl)Benzenecarboxamides","year":2025,"lang":"en","type":"article","venue":"Crystals","topic":"Ferrocene Chemistry and Applications","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Stacking; Ferrocene; Crystallography; Chemistry; Physics; Nuclear magnetic resonance; Quantum mechanics","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":[0.0002485783,0.0007918203,0.00111478,0.0006870092,0.0003328576,0.0003211695,0.0006278498,0.0003107098,0.0004855233],"category_scores_gemma":[0.0008744635,0.0008296953,0.000169005,0.001487428,0.0001703025,0.0005566403,0.0005199059,0.0009275501,0.000007479171],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005560552,"about_ca_system_score_gemma":0.0003475406,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006565455,"about_ca_topic_score_gemma":0.003248386,"domain_scores_codex":[0.9958983,0.0001059348,0.001249624,0.001399439,0.0003808154,0.0009658593],"domain_scores_gemma":[0.9975235,0.0006816564,0.0003020307,0.0008080309,0.000315177,0.0003695359],"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":[0.0002322608,0.000223452,0.007928596,0.0004185388,0.0001494749,0.0001347567,0.001312955,0.003376088,0.9835038,0.0009763067,0.0005005057,0.001243264],"study_design_scores_gemma":[0.002796639,0.00004575843,0.03870402,0.001346776,0.0001486907,0.00008730807,0.00955991,0.0018818,0.9377834,0.00381876,0.002562326,0.001264671],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9820226,0.001328922,0.0005105896,0.0006157395,0.0001223476,0.0005199414,0.0001991831,0.0001719099,0.01450871],"genre_scores_gemma":[0.9973101,0.0001079636,0.0005991111,0.0005289258,0.0001216566,0.0003707306,0.0001260999,0.00007371861,0.0007617119],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04572047,"threshold_uncertainty_score":0.9994154,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04375134986521894,"score_gpt":0.348993221171004,"score_spread":0.3052418713057851,"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."}}