{"id":"W2093792241","doi":"10.1021/ic902409n","title":"Phthalocyanine as a Chemically Inert, Redox-Active Ligand: Structural and Electronic Properties of a Nb(IV)-Oxo Complex Incorporating a Highly Reduced Phthalocyanine(4−) Anion","year":2010,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Porphyrin and Phthalocyanine Chemistry","field":"Materials Science","cited_by":72,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"","keywords":"Chemistry; Phthalocyanine; Crystallography; Ligand (biochemistry); Electronic structure; Electron paramagnetic resonance; Density functional theory; Delocalized electron; Square pyramidal molecular geometry; Crystal structure; Computational chemistry; Nuclear magnetic resonance; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001202209,0.0002026922,0.0001854226,0.00009059784,0.0001262801,0.0002528011,0.0004298653,0.0002733149,0.0006704802],"category_scores_gemma":[0.0001293619,0.0001040416,0.00008122167,0.0001021811,0.0002513118,0.0001872799,0.0002156169,0.0002726213,0.0001694059],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002582557,"about_ca_system_score_gemma":0.00007692821,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006458572,"about_ca_topic_score_gemma":0.0005246974,"domain_scores_codex":[0.9998957,0.00002026434,0.000004695356,0.00002048378,0.00003921922,0.00001968288],"domain_scores_gemma":[0.9999578,0.00000779552,0.00001184774,0.0000054225,0.000006742743,0.00001038687],"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":[0.0001296477,0.00001662471,0.0001798408,0.00008824936,0.000006124715,0.00005256079,0.00004809809,0.0001813429,0.9980015,0.0001559529,0.00005533137,0.001084762],"study_design_scores_gemma":[0.00002453748,0.0002028055,0.001224682,0.000004709593,0.00000925218,0.0001215477,0.000020498,0.001116891,0.9951084,0.00003327599,0.002126125,0.000007200281],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978254,0.0003318451,0.0008858302,0.00004614973,0.000004260013,0.000008729965,0.00006053622,0.00002787537,0.0008094012],"genre_scores_gemma":[0.9974535,0.0001883474,0.001305814,0.00001641147,0.000003337622,0.000007119492,0.0001437862,0.00001609251,0.000865582],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006704802,"threshold_uncertainty_score":0.002243042,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01024825347845635,"score_gpt":0.2289124001810834,"score_spread":0.218664146702627,"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."}}