{"id":"W4388468960","doi":"10.1039/d3ce00871a","title":"Two isostructural complexes of Ni(<scp>ii</scp>) and Zn(<scp>ii</scp>) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","year":2023,"lang":"en","type":"article","venue":"CrystEngComm","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"Agencia Estatal de Investigación; Fundação para a Ciência e a Tecnologia; Science and Engineering Research Board; Natural Sciences and Engineering Research Council of Canada; RUDN University","keywords":"Isostructural; Pyridine; Crystallography; Chemistry; Materials science; Stereochemistry; Organic chemistry; Crystal structure","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00008268058,0.0001848834,0.0002508427,0.0002065353,0.0003118237,0.0003872086,0.000970557,0.0003430036,0.001284851],"category_scores_gemma":[0.000387377,0.0001400776,0.00006234676,0.0002787673,0.0002415769,0.0002092648,0.0004307184,0.0002905775,0.0001626846],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005263409,"about_ca_system_score_gemma":0.0002573161,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002390916,"about_ca_topic_score_gemma":0.003241032,"domain_scores_codex":[0.9998388,0.00002635022,0.00001245335,0.00002828497,0.00006557852,0.0000285026],"domain_scores_gemma":[0.9999362,0.000008988,0.00001376442,0.00001223636,0.00001241756,0.00001647889],"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":[0.0005605652,0.0001238586,0.001000086,0.0002643816,0.0000247852,0.0002141832,0.0001894854,0.0007857842,0.9861457,0.002737983,0.0005242239,0.007429027],"study_design_scores_gemma":[0.00006347638,0.0003223443,0.001627894,0.000006661482,0.00001587376,0.0002575554,0.00008779344,0.001669406,0.9896701,0.0001615979,0.006106042,0.00001121532],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9910081,0.0004526276,0.002823053,0.0001086244,0.00002413083,0.00005270185,0.0002781151,0.0000558625,0.005196731],"genre_scores_gemma":[0.992794,0.0001965509,0.003563823,0.0000243299,0.000004293307,0.00002834934,0.000360898,0.00002203592,0.003005759],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002390916,"threshold_uncertainty_score":0.004754007,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0138397848032261,"score_gpt":0.2411855893641944,"score_spread":0.2273458045609683,"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."}}