{"id":"W3196252392","doi":"10.21203/rs.3.rs-803292/v1","title":"Characterization of New Inorganic- Organic Hybrid Compounds: (C6H10N2).Cl2 (I), [C6H10N2]2ZnCl4 (II): Crystal Structure, Hirschfield Surface, IR and NMR spectroscopy Analysis.","year":2021,"lang":"en","type":"preprint","venue":"Research Square","topic":"Solid-state spectroscopy and crystallography","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Institute of Circulatory and Respiratory Health; Centre National de la Recherche Scientifique","keywords":"Monoclinic crystal system; Infrared spectroscopy; Crystallography; Cationic polymerization; Spectroscopy; Chemistry; Crystal structure; Intermolecular force; Hydrogen bond; Single crystal; Absorption spectroscopy; Nuclear magnetic resonance spectroscopy; Inorganic chemistry; Stereochemistry; Molecule; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001377031,0.0007886314,0.001738322,0.00118454,0.0006781347,0.001031124,0.001285531,0.0006001904,0.005743025],"category_scores_gemma":[0.0002649869,0.0007919879,0.0004813081,0.002935075,0.0006210821,0.0004956933,0.002824262,0.001956447,0.00001389357],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003063252,"about_ca_system_score_gemma":0.001475087,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001523841,"about_ca_topic_score_gemma":0.001145078,"domain_scores_codex":[0.9922986,0.0009817476,0.001195146,0.001933684,0.002163327,0.00142748],"domain_scores_gemma":[0.9956247,0.000273895,0.0006325138,0.001826282,0.001026902,0.0006157378],"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":[0.0002030567,0.0001538824,0.01500572,0.000936217,0.000508283,0.00006379731,0.001413449,0.0001671025,0.9808548,0.0001398838,0.0005336056,0.00002018805],"study_design_scores_gemma":[0.0007382422,0.0005055649,0.05018281,0.0004247574,0.0004133091,0.0000319096,0.001051748,0.00035387,0.9429769,0.002144215,0.0003610456,0.0008156318],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9918032,0.001390469,0.00266784,0.0003185716,0.0004785863,0.001199091,0.00167281,0.0001782922,0.0002911543],"genre_scores_gemma":[0.9921484,0.001973185,0.002059528,0.00005883442,0.0003960068,0.00002007369,0.002904007,0.0001157851,0.0003241904],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03787792,"threshold_uncertainty_score":0.9994531,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02145827029076857,"score_gpt":0.3170277416516125,"score_spread":0.2955694713608439,"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."}}