{"id":"W1999948266","doi":"10.1107/s010827010301031x","title":"Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1′-dicarboxylic acid: multiple disorder in space groups<i>Fmm</i>2 and<i>Cmcm</i>","year":2003,"lang":"en","type":"article","venue":"Acta Crystallographica Section C Crystal Structure Communications","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"HEXA; Chemistry; Ferrocene; Hydrogen bond; Adduct; Crystallography; Amine gas treating; Ring (chemistry); Medicinal chemistry; Stereochemistry; Molecule; Organic chemistry; Physical chemistry","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":[0.0001354837,0.0003774596,0.0002749043,0.0001041002,0.0001644686,0.0002244119,0.0004292697,0.0003908951,0.001432255],"category_scores_gemma":[0.0002211168,0.0001592204,0.000108204,0.0001451401,0.0001854283,0.0002556791,0.0002232522,0.0003225527,0.0003814352],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005198112,"about_ca_system_score_gemma":0.0001977859,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001541817,"about_ca_topic_score_gemma":0.002294318,"domain_scores_codex":[0.9997665,0.00002935151,0.00001379307,0.00006888819,0.0000626058,0.00005878668],"domain_scores_gemma":[0.9998021,0.00001493783,0.00007906414,0.00001949628,0.00002931945,0.00005517788],"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":[0.0005027993,0.00003297067,0.0008027292,0.00007704476,0.00003775991,0.0001232915,0.00007526339,0.0001855942,0.9953604,0.0003218853,0.0001875665,0.002292764],"study_design_scores_gemma":[0.00001739254,0.000287986,0.00132283,0.000003888254,0.00001082871,0.0001904537,0.00002025169,0.0003931175,0.9948783,0.00002822886,0.002839131,0.000007472566],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995663,0.0007145265,0.001217665,0.00004470798,0.00003801847,0.00003083949,0.0001766785,0.00006809563,0.002046462],"genre_scores_gemma":[0.9948879,0.0003228913,0.001435363,0.00006304754,0.00000932838,0.0000177501,0.0003118489,0.00002666171,0.002925167],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001541817,"threshold_uncertainty_score":0.004791439,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008780673544330462,"score_gpt":0.2191926175548276,"score_spread":0.2104119440104971,"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."}}