{"doi":"10.1107/s205698902400937x","title":"Mercury(II) halide complex of <i>cis</i> -[( <sup> <i>t</i> </sup> BuNH)(Se)P(μ-N <sup> <i>t</i> </sup> Bu) <sub>2</sub> P(Se)(NH <sup> <i>t</i> </sup> Bu)]","abstract":"The mercury(II) halide complex [1,3-di- tert -butyl-2,4-bis( tert -butylamino)-1,3,2λ 5 ,4λ 5 -diazadiphosphetidine-2,4-diselone-κ 2 Se , Se ′]diiodidomercury(II) N , N -dimethylformamide monosolvate, [HgI 2 (C 16 H 38 N 4 P 2 Se 2 )]·C 3 H 7 NO or ( 1 )HgI 2 , 2 , containing cis -[( t BuNH)(Se)P(μ-N t Bu) 2 P(Se)(NH t Bu)] ( 1 ) was synthesized and structurally characterized. The crystal structure of 2 confirms the chelation of chalcogen donors to HgI 2 with a natural bite angle of 112.95 (2)°. The coordination geometry around mercury is distorted tetrahedral as indicated by the τ 4 geometry index parameter (τ 4 = 0.90). In the mercury complex, the exocyclic tert -butylamido substituents are arranged in an ( endo, endo ) fashion, whereas in the free ligand ( 1 ), the exocyclic substituents are arranged in an ( exo, endo ) pattern. Compound 2 displays non-classical N—H...O hydrogen-bonding interactions with the solvent N , N -dimethylformamide. These interactions may introduce geometrical distortion and deviation from an ideal geometry. An isostructural HgBr 2 analogue containing cis -[( t BuNH)(S)P(μ-N t Bu) 2 P(S)(NH t Bu)] was also synthesized and structurally characterized, CIF data for the compound being presented as supporting information.","journal":"Acta Crystallographica Section E Crystallographic Communications","year":2024,"id":504421,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":0,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9433,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2024-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1355302,"name":"Kalpana Sampath","orcid":null,"position":1,"is_corresponding":false},{"id":1127349,"name":"Kuppuswamy Arumugam","orcid":"0000-0003-2654-5001","position":2,"is_corresponding":false},{"id":1355303,"name":"Chandru P. Chandrasekaran","orcid":null,"position":3,"is_corresponding":false},{"id":1354949,"name":"Troy Selby-Karney","orcid":"0000-0003-2341-8314","position":0,"is_corresponding":true}],"reference_count":19,"raw_metadata":null,"created_at":"2026-07-19T02:10:39.578471Z","pmid":"39712153","pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}