{"id":"W2497667976","doi":"10.1039/c6dt02598f","title":"Structural and electronic trends for five coordinate 1<sup>st</sup> row transition metal complexes: Mn(<scp>ii</scp>) to Zn(<scp>ii</scp>) captured in a bis(iminopyridine) framework","year":2016,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Crystallography; Chemistry; Bond length; Ligand (biochemistry); Transition metal; Pyridine; Antibonding molecular orbital; Square pyramidal molecular geometry; Molecular geometry; Metal; Bond order; Crystal structure; Molecule; Atomic orbital; Physics; Organic chemistry","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":[0.00004559054,0.0001311244,0.000102795,0.0001498218,0.0001484439,0.000212047,0.000335655,0.0001791191,0.001323193],"category_scores_gemma":[0.0002070223,0.00009266647,0.00004875,0.0001709,0.0001823065,0.0001255674,0.00009969066,0.0001985114,0.0001106167],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003254268,"about_ca_system_score_gemma":0.00006444669,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001092711,"about_ca_topic_score_gemma":0.001617733,"domain_scores_codex":[0.9999672,0.000004028288,0.000001586156,0.000007929888,0.00001192497,0.000007338447],"domain_scores_gemma":[0.9999297,0.00001296527,0.00002403821,0.000006547377,0.00001774968,0.000008980041],"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":[0.0004666687,0.00005292123,0.004728571,0.0002340083,0.00002334628,0.000198889,0.0001792562,0.004338636,0.9801015,0.001623327,0.0005704558,0.007482442],"study_design_scores_gemma":[0.00002210774,0.0005679693,0.02634968,0.00001492514,0.00003087408,0.0003492406,0.0002911777,0.02417441,0.945231,0.0002956802,0.002658106,0.00001490916],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986055,0.0001438754,0.0002276148,0.00002731699,0.000001527192,0.000001826038,0.00009317369,0.00002525082,0.0008737875],"genre_scores_gemma":[0.999196,0.00007890717,0.0002968868,0.000006753457,8.298354e-7,0.000002998275,0.000165134,0.000005731475,0.000246781],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001323193,"threshold_uncertainty_score":0.004426539,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0126685032099217,"score_gpt":0.2339990990833623,"score_spread":0.2213305958734406,"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."}}