{"id":"W4387692535","doi":"10.1002/chem.202303059","title":"Chromium(VI) Oxyfluoride Dianions, [Cr<sub>2</sub>O<sub>4</sub>F<sub>6</sub>]<sup>2−</sup> and [CrO<sub>2</sub>F<sub>4</sub>]<sup>2−</sup>; Syntheses and Structures of [XeF<sub>5</sub>]<sub>2</sub>[Cr<sub>2</sub>O<sub>4</sub>F<sub>6</sub>], [XeF<sub>5</sub>]<sub>2</sub>[Cr<sub>2</sub>O<sub>4</sub>F<sub>6</sub>] ⋅ <i>n</i>X (X=HF, <i>n</i>=4; X=XeOF<sub>4</sub>, <i>n</i>=2), and [XeF<sub>5</sub>][Xe<sub>2</sub>F<sub>11</sub>][CrO<sub>2</sub>F<sub>4</sub>]","year":2023,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Crystallography; Raman spectroscopy; Octahedron; Crystal structure; Chromium; Dimer; X-ray crystallography; Ion; Natural bond orbital; Inorganic chemistry; Physical chemistry; Density functional theory; Computational chemistry; Diffraction","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":[0.00006345208,0.0002081536,0.000114691,0.0001439356,0.0001487156,0.0001708809,0.0002668631,0.0002829652,0.001606065],"category_scores_gemma":[0.0001643893,0.0001205143,0.00009295924,0.0001347114,0.0001462415,0.0001422539,0.0001372994,0.0001764309,0.0001842265],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003084939,"about_ca_system_score_gemma":0.000206924,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001900547,"about_ca_topic_score_gemma":0.003949095,"domain_scores_codex":[0.999952,0.000004461367,0.000002612034,0.00001301506,0.00001487382,0.00001301129],"domain_scores_gemma":[0.9999522,0.000005817655,0.00001679869,0.000005532789,0.00001155047,0.000008132138],"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":[0.000135377,0.00001077199,0.0002448878,0.0001077381,0.000007017715,0.00005346502,0.00003289028,0.0001403309,0.9959686,0.0003874848,0.00009298624,0.002818503],"study_design_scores_gemma":[0.00001642149,0.0001882974,0.00189508,0.000006239959,0.00001287394,0.0001047284,0.0000347438,0.0003708693,0.9929698,0.00003949342,0.004356217,0.000005229646],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938149,0.0008531405,0.002095103,0.00003636636,0.00002348325,0.00002852877,0.0001660968,0.00006670941,0.002915676],"genre_scores_gemma":[0.9896423,0.0005522518,0.003311879,0.00004453874,0.000004794145,0.0000227952,0.0003694517,0.00002386466,0.006028118],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001900547,"threshold_uncertainty_score":0.005372882,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01013353824008919,"score_gpt":0.2035176185232426,"score_spread":0.1933840802831534,"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."}}