{"id":"W1995991942","doi":"10.1039/b902612f","title":"A structural study of [CpM(CO)3H] (M = Cr, Mo and W) by single-crystal X-ray diffraction and DFT calculations: sterically crowded yet surprisingly flexible molecules","year":2009,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Steric effects; Crystallography; Moiety; Chemistry; Deprotonation; Coordination sphere; Molecule; Hydride; Crystal structure; Stereochemistry; Metal; Ion","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00007566372,0.0002352839,0.0003620553,0.0001212865,0.0002835913,0.0001088283,0.0001039374,0.00009815529,0.001161916],"category_scores_gemma":[0.00002167799,0.0002311915,0.00009354773,0.0002406009,0.0000915288,0.0002499075,0.000007589626,0.0001694096,0.000001287647],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005176737,"about_ca_system_score_gemma":0.00001848465,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002321863,"about_ca_topic_score_gemma":0.00006359028,"domain_scores_codex":[0.9986283,0.0000450673,0.000440435,0.0004136382,0.0002531128,0.0002195027],"domain_scores_gemma":[0.9992575,0.0001092199,0.0001561207,0.000285224,0.00006340285,0.0001285291],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.00009689044,0.001048575,0.000538963,0.00005754819,0.0002111185,0.000002267064,0.001435164,0.0002440433,0.9512112,0.00001660491,0.00002295333,0.04511471],"study_design_scores_gemma":[0.01748779,0.004209164,0.4753897,0.0004164063,0.005417431,0.0003690011,0.03518623,0.03248255,0.4026611,0.001710804,0.01945913,0.005210647],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9921931,0.000301245,0.006280839,0.0001261722,0.00002752926,0.0001514728,0.0001796681,0.00008924952,0.0006507154],"genre_scores_gemma":[0.9987226,0.00003641434,0.0003889776,0.00002058811,0.00002091481,0.00001302137,0.00006436496,0.00002232685,0.0007108551],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.54855,"threshold_uncertainty_score":0.9997512,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01786215566993882,"score_gpt":0.2469236079865217,"score_spread":0.2290614523165828,"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."}}