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This water\u2010soluble ligand, the first example of a tris(homoadamantane) ring system, can be considered a macrocyclic homologue of the well\u2010known PTA (1,3,5\u2010triaza\u20107\u2010phosphaadamantane). However, <jats:sup>31<\/jats:sup>P\u2005NMR spectroscopic anomalies of CAP follow those typical for the bi\u2010\/tricyclic atrane systems. Another atrane\u2010like feature of CAP is the ability of one nitrogen atom to undergo <jats:italic>out\u2013in<\/jats:italic> pyramidal inversion. The latter is associated with a substantial decrease in the intracage N\u2212N and P\u2212N distances. Analysis of electron density distribution [molecular electrostatic potential (MESP) and atoms\u2010in\u2010molecules (AIM) approaches] suggests that the P and N atoms in the pyramidally inverted CAP derivatives are involved in interactions resulting in accumulation of electron density at the center of the phosphane cage. The latter can reliably explain the stereoelectronic and NMR anomalies of the new ligand. The semi\u2010flexible CAP cage populates the structural niche between the rigid adamantine skeleton of PTA and flexible atrane systems and can be regarded as an alternative to PTA in aqueous coordination chemistry.<\/jats:p>","DOI":"10.1002\/chem.201601637","type":"journal-article","created":{"date-parts":[[2016,8,17]],"date-time":"2016-08-17T06:54:42Z","timestamp":1471416882000},"page":"14227-14235","source":"Crossref","is-referenced-by-count":18,"title":["Between Adamantane and Atrane: Intrabridgehead Interactions in the Cage\u2010Like Phosphane Related to a Novel Tris(homoadamantane) Ring System"],"prefix":"10.1002","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3183-7594","authenticated-orcid":false,"given":"Sergey N.","family":"Britvin","sequence":"first","affiliation":[{"name":"Department of Crystallography Saint Petersburg State University  Universitetskaya Nab. 7\/9 199034 St. Petersburg Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andrey M.","family":"Rumyantsev","sequence":"additional","affiliation":[{"name":"Department of Genetics and Biotechnology Saint Petersburg State University  Universitetskaya Nab. 7\/9 199034 St. Petersburg Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Anastasia E.","family":"Zobnina","sequence":"additional","affiliation":[{"name":"Department of Genetics and Biotechnology Saint Petersburg State University  Universitetskaya Nab. 7\/9 199034 St. Petersburg Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4051-4837","authenticated-orcid":false,"given":"Marina V.","family":"Padkina","sequence":"additional","affiliation":[{"name":"Department of Genetics and Biotechnology Saint Petersburg State University  Universitetskaya Nab. 7\/9 199034 St. Petersburg Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2016,8,17]]},"reference":[{"key":"e_1_2_7_1_1","unstructured":"\u00a0"},{"key":"e_1_2_7_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/om00042a006"},{"key":"e_1_2_7_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja039394v"},{"key":"e_1_2_7_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2004.03.010"},{"key":"e_1_2_7_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja053895u"},{"key":"e_1_2_7_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic701474m"},{"key":"e_1_2_7_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200801032"},{"key":"e_1_2_7_8_2","doi-asserted-by":"publisher","DOI":"10.1039\/b808156e"},{"key":"e_1_2_7_9_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2009.08.006"},{"key":"e_1_2_7_10_2","doi-asserted-by":"publisher","DOI":"10.3390\/molecules16086215"},{"key":"e_1_2_7_11_2","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms5017"},{"key":"e_1_2_7_12_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr400135x"},{"key":"e_1_2_7_13_2","doi-asserted-by":"publisher","DOI":"10.1039\/C5MT00077G"},{"key":"e_1_2_7_14_2","doi-asserted-by":"publisher","DOI":"10.1039\/C4CS00343H"},{"key":"e_1_2_7_15_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201506271"},{"key":"e_1_2_7_15_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201506271"},{"key":"e_1_2_7_16_1","unstructured":"\u00a0"},{"key":"e_1_2_7_17_2","doi-asserted-by":"publisher","DOI":"10.1002\/jhet.5570110326"},{"key":"e_1_2_7_18_2","first-page":"246","volume":"99","author":"Fluck E.","year":"1975","journal-title":"Chem. 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