{"id":"W4391389362","doi":"10.1021/acs.cgd.3c01243","title":"Deciphering Trends in Structural Parameters of RE-UiO-66 Metal–Organic Frameworks through Single Crystal Analysis","year":2024,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University; Concordia University","funders":"Natural Sciences and Engineering Research Council of Canada; Concordia University","keywords":"Ionic radius; Crystallography; Thermal stability; Bond length; Metal-organic framework; Single crystal; Diffraction; Metal; Ionic bonding; Linker; Crystal structure; Lanthanide; Materials science; Chemistry; Rare earth; Structural stability; Ion; Physical chemistry; Mineralogy; Physics; Optics; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003995693,0.0004966914,0.0008991748,0.0004387533,0.0001249149,0.0002382211,0.0006219185,0.0006913692,0.006135353],"category_scores_gemma":[0.0003085854,0.0004666256,0.0006308323,0.003602828,0.0002205772,0.0003929654,0.0001501393,0.00100635,0.00001550907],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002202096,"about_ca_system_score_gemma":0.0000714473,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001147633,"about_ca_topic_score_gemma":0.00004891721,"domain_scores_codex":[0.9967966,0.0001257485,0.001015244,0.0009161678,0.0005189591,0.0006272473],"domain_scores_gemma":[0.9977217,0.0008992577,0.0002511007,0.0008873728,0.00008173587,0.00015886],"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":[0.0000774095,0.0002175793,0.0005638309,0.0002950327,0.002040683,0.00005884274,0.001930286,0.002342901,0.977232,0.003873737,0.0004013951,0.01096624],"study_design_scores_gemma":[0.0007652483,0.000157868,0.001289027,0.000795032,0.004115374,0.00004959005,0.002190273,0.04616493,0.9094377,0.03198815,0.001173926,0.001872916],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.631538,0.003097845,0.3591968,0.0003040933,0.0001947838,0.0001933672,0.00009280998,0.00033672,0.005045579],"genre_scores_gemma":[0.9632021,0.00005656004,0.03588292,0.0000478869,0.00011686,0.00006102139,0.00006893215,0.000103922,0.0004597692],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3316642,"threshold_uncertainty_score":0.9997786,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02993891996682681,"score_gpt":0.2652611187048747,"score_spread":0.2353221987380479,"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."}}