{"id":"W4386954680","doi":"10.1021/jacs.3c05279","title":"Creating Order in Ultrastable Phosphonate Metal–Organic Frameworks via Isolable Hydrogen-Bonded Intermediates","year":2023,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Light Source (Canada); University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Canada First Research Excellence Fund","keywords":"Chemistry; Phosphonate; Hydrogen; Order (exchange); Metal; Metallacycle; Metal-organic framework; Hydrogen molecule; Photochemistry; Computational chemistry; Organic chemistry; Nanotechnology; Combinatorial chemistry; X-ray crystallography","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":[0.0005439625,0.0002558311,0.0006422129,0.00003257614,0.0001499084,0.00006126702,0.000898104,0.000258781,0.001274597],"category_scores_gemma":[0.0009000544,0.0001839415,0.0005856224,0.00184257,0.0003448768,0.0001217919,0.0002503621,0.001879393,0.00004247945],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002360572,"about_ca_system_score_gemma":0.0001197128,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009326672,"about_ca_topic_score_gemma":0.000004082258,"domain_scores_codex":[0.9978976,0.00004244322,0.0007854014,0.0002859097,0.000472057,0.0005166518],"domain_scores_gemma":[0.9974833,0.0007450802,0.001002267,0.0004714818,0.0001416723,0.0001562662],"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":[0.00001858893,0.0001352061,0.002426449,0.00002737704,0.0001939223,0.000002503506,0.0004721006,0.00007068028,0.9927345,0.00001534415,0.002069776,0.001833538],"study_design_scores_gemma":[0.0003207365,0.00001341774,0.000370523,0.0001677555,0.0001049411,0.00003494298,0.001686245,0.003442307,0.9902387,0.001791664,0.00159118,0.0002376284],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966375,0.0002831047,0.000568905,0.001825547,0.00008307747,0.00006292645,0.000009189795,0.00005632496,0.0004734704],"genre_scores_gemma":[0.9936627,0.0004609172,0.004217426,0.0007070292,0.0002652417,0.00001563432,0.000005046501,0.00006081288,0.0006051491],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003648521,"threshold_uncertainty_score":0.9996384,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007631471740746781,"score_gpt":0.2393802529254872,"score_spread":0.2317487811847405,"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."}}