{"id":"W2125386436","doi":"10.1107/s0108768199011544","title":"Two different three-dimensional hydrogen-bonded framework structures in two hydrated adducts <i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane–terephthalic acid–water (1/1/4) and (1/1/6)","year":2000,"lang":"en","type":"article","venue":"Acta Crystallographica Section B Structural Science","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Miller Group (Canada); University of Toronto","funders":"","keywords":"Hydrogen bond; Terephthalic acid; Chemistry; Molecule; Tetrahydrate; Crystallography; Crystallization; Ionic bonding; Water of crystallization; Adduct; Methanol; Hydrogen; Inorganic chemistry; Crystal structure; Ion; Organic 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003841753,0.001194776,0.0009633424,0.0007186021,0.001074808,0.0006678927,0.001549455,0.0005035297,0.004940772],"category_scores_gemma":[0.0002036959,0.0009227789,0.0003183187,0.001561889,0.002682352,0.001106875,0.0005345294,0.00185679,9.776976e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004319015,"about_ca_system_score_gemma":0.0001241423,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001321629,"about_ca_topic_score_gemma":0.003324007,"domain_scores_codex":[0.9924157,0.0001257889,0.001171903,0.002328818,0.001954732,0.002003089],"domain_scores_gemma":[0.9970274,0.0003021566,0.0003110088,0.001253919,0.000182875,0.000922639],"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":[0.0003268927,0.00005295762,0.0192886,0.00006749172,0.00005584034,0.00005261464,0.0002960061,0.0004706023,0.9775788,0.0001096619,0.00002285426,0.001677682],"study_design_scores_gemma":[0.004906972,0.000254353,0.1104211,0.0003060931,0.0001572813,0.002208619,0.0001409166,0.002659683,0.7339827,0.1389766,0.002922353,0.003063372],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9968932,0.0003495298,0.00001319609,0.0003865529,0.0005459901,0.0004202097,0.00006718987,0.0004236232,0.0009004846],"genre_scores_gemma":[0.9978191,0.00002776765,0.001119184,0.0002707524,0.0004274486,0.00003959797,0.0001236828,0.00009855956,0.00007392259],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2435961,"threshold_uncertainty_score":0.9993223,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009655529487336958,"score_gpt":0.2498764708988009,"score_spread":0.240220941411464,"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."}}